A0A087WUG9_HUMAN Loading...

Contactin associated protein family member 3B

AlphaFold DB , UniProt , Accession A0A087WUG9, Species HUMAN (Homo sapiens, Human), Gene CNTNAP3B, Length 652 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	33.3	Very low	32.1	Very low	246 Å²	246	146.4 Å²	146.4	100%	1.212	84%	0.84	S	S	*	*				0	137.1	0	-86.1	-177.4	-85.5	0	0	108
2	A	36.8	Very low	32	Very low	102 Å²	102	146.9 Å²	146.9	84%	0.843	84%	0.837	S	S	*	*			trans	-56.1	154.4	-165.3	0	0	0	0	0	115.4
3	S	30.1	Very low	32	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	84%	0.836	S	S	*	*			trans	-162.7	107.4	130.1	-165.9	0	0	0	0	112.2
4	V	32.7	Very low	31.9	Very low	127 Å²	127	148.5 Å²	148.5	77%	0.77	84%	0.835	S	S	*	*			trans	51.9	117.2	132.5	-169.9	0	0	0	0	120.3
5	A	33.7	Very low	31.7	Very low	92 Å²	92	149 Å²	149	76%	0.76	83%	0.834	S	S	*	*			trans	-73.5	137.2	169.2	0	0	0	0	0	113.1
6	W	29.6	Very low	31.7	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.902	83%	0.83	S	S	*	*			trans	-131.5	115.7	153.8	-105.2	52.6	0	0	0	108.3
7	A	32	Very low	31.5	Very low	102 Å²	102	146.4 Å²	146.4	84%	0.843	83%	0.83	S	S	*	*			trans	-83.6	123.6	175.9	0	0	0	0	0	109.6
8	V	33.9	Very low	31.6	Very low	120 Å²	120	148 Å²	148	73%	0.727	83%	0.829	S	S	*	*			trans	-108.8	111.2	166.6	178.5	0	0	0	0	107.8	K10	V8-K10 PolarHBondContact O-N 3.33Å
9	L	29.9	Very low	31.3	Very low	162 Å²	162	146.8 Å²	146.8	85%	0.848	83%	0.826	S	S	*	*			trans	-72.5	108.7	175.2	-164.5	78.9	0	0	0	109.1
10	K	31.7	Very low	31.2	Very low	187 Å²	187	151.6 Å²	151.6	81%	0.813	83%	0.831	S	S	*	*			trans	-96.8	113.8	166.1	-85.1	-172	176.9	-178.3	0	109.5	V8 L12	V8-K10 PolarHBondContact O-N 3.33Å; K10-L12 PolarHBondContact O-N 3.36Å
11	V	30.1	Very low	31	Very low	124 Å²	124	149 Å²	149	75%	0.752	82%	0.824	S	S	*	*			trans	-63.7	119.3	171.2	173.7	0	0	0	0	109.2
12	L	30.8	Very low	31.1	Very low	153 Å²	153	143.2 Å²	143.2	80%	0.801	81%	0.805	S	S	*	*			trans	-85.9	113.5	165.4	-104.6	108.5	0	0	0	108.9	K10 L14	K10-L12 PolarHBondContact O-N 3.36Å; L12-L14 PolarHBondContact O-N 3.42Å
13	L	31.3	Very low	31.2	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	81%	0.807	S	S	*	*			trans	-71.1	109.9	165.3	-88.9	142.1	0	0	0	109.1
14	L	30.6	Very low	31.4	Very low	159 Å²	159	143.3 Å²	143.3	83%	0.832	80%	0.803	S	S	*	*			trans	-87.9	105.3	166	-74.1	164.2	0	0	0	108.5	L12	L12-L14 PolarHBondContact O-N 3.42Å
15	L	29.5	Very low	31.9	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	81%	0.811	S	S	*	*			trans	-74.5	126.9	164.4	-77	159.6	0	0	0	108.5	T17	L15-T17 PolarHBondContact O-N 3.39Å
16	P	31.3	Very low	32	Very low	119 Å²	119	141.3 Å²	141.3	77%	0.773	81%	0.806	S	S	*	*			trans	-77.3	119.1	173.2	29.2	-28.4	0	0	0	109.4	Q18	P16-Q18 PolarHBondContact O-N 3.31Å; P16-Q18 VanDerWaalsContact O-N 3.13Å
17	T	29	Very low	32.6	Very low	134 Å²	134	135.3 Å²	135.3	82%	0.822	79%	0.792	S	S	*	*			trans	-68.5	101.9	167.2	50.3	0	0	0	0	108.9	L15 T19	L15-T17 PolarHBondContact O-N 3.39Å; T17-T19 PolarHBondContact O-N 3.05Å
18	Q	32.4	Very low	33.4	Very low	176 Å²	176	133 Å²	133	82%	0.822	77%	0.768	S	S	*	*			trans	-71.8	113.2	164.9	-106.3	178.1	-2.8	0	0	108.4	P16 W20	P16-Q18 PolarHBondContact O-N 3.31Å; P16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-W20 PolarHBondContact O-N 3.26Å; Q18-W20 VanDerWaalsContact O-N 3.15Å
19	T	27	Very low	34.6	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	78%	0.775	S	S	*	*			trans	-67.6	103.2	169.5	48.5	0	0	0	0	109.1	T17 S21	T17-T19 PolarHBondContact O-N 3.05Å; T19-S21 PolarHBondContact O-N 3.15Å
20	W	28.1	Very low	36.8	Very low	242 Å²	242	131.7 Å²	131.7	92%	0.917	77%	0.765	S	S	*	*			trans	-67.6	111.9	162.1	-85.3	-0.6	0	0	0	108.8	Q18	Q18-W20 PolarHBondContact O-N 3.26Å; Q18-W20 VanDerWaalsContact O-N 3.15Å
21	S	26.7	Very low	39.6	Very low	99 Å²	99	123.7 Å²	123.7	69%	0.692	73%	0.733	S	S	*	*			trans	-84.5	128.6	163.3	-59	0	0	0	0	107.8	T19 V23	T19-S21 PolarHBondContact O-N 3.15Å; S21-V23 PolarHBondContact O-N 3.4Å
22	P	36.8	Very low	42.5	Very low	124 Å²	124	120.2 Å²	120.2	81%	0.805	71%	0.71	S	S	*	*			trans	-71.2	118.6	173.3	28	-26.5	0	0	0	107.6	G24	P22-G24 PolarHBondContact O-N 3.13Å
23	V	38.4	Very low	45.6	Very low	146 Å²	146	115.1 Å²	115.1	89%	0.885	69%	0.687	S	S	*	*			trans	-63.1	108.5	171.9	174.2	0	0	0	0	107.4	S21	S21-V23 PolarHBondContact O-N 3.4Å
24	G	34.2	Very low	48.7	Very low	67 Å²	67	111.2 Å²	111.2	69%	0.691	67%	0.671	S	S	*	*			trans	-66.9	132.1	171.6	0	0	0	0	0	110.5	P22 G26	P22-G24 PolarHBondContact O-N 3.13Å; G24-G26 PolarHBondContact O-N 3.26Å
25	A	43.7	Very low	51.8	Low	113 Å²	113	104.6 Å²	104.6	93%	0.934	64%	0.636	S	S	*	*			trans	-63.3	121.1	179.4	0	0	0	0	0	112.1
26	G	35	Very low	54.8	Low	64 Å²	64	97.2 Å²	97.2	66%	0.66	60%	0.597	S	S	*	*			trans	-175.1	115	165.4	0	0	0	0	0	107.9	G24	G24-G26 PolarHBondContact O-N 3.26Å
27	N	41.4	Very low	57.6	Low	113 Å²	113	94 Å²	94	60%	0.604	58%	0.578	S	S	*	*			trans	-60.4	132.1	174.1	-81.5	-13.9	0	0	0	108.5
28	P	49.3	Very low	60.4	Low	52 Å²	52	91.9 Å²	91.9	34%	0.338	57%	0.574	S	S	.	*			trans	-55.4	144.9	171.6	-8.3	16	0	0	0	109.1	D30 C31 S33	P28-D30 PolarHBondContact O-N 2.62Å; P28-C31 PolarHBondContact O-N 2.88Å; P28-S33 WeakPolarHBondContact CG-OG 3.46Å
29	P	59	Low	63.4	Low	134 Å²	134	85 Å²	85	87%	0.87	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.6	-170.8	16.2	-28.5	0	0	0	115.4
30	D	76.3	Confident	66.6	Low	122 Å²	122	82.6 Å²	82.6	65%	0.652	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	8.8	-178.7	-79.3	-36.3	0	0	0	115.9	P28 D32	P28-D30 PolarHBondContact O-N 2.62Å; D30-D32 VanDerWaalsContact O-CG 3.27Å; D30-D32 PolarHBondContact O-N 3.02Å
31	C	90.1	Very high	69.7	Low	19 Å²	19	78 Å²	78	13%	0.128	51%	0.512	C	S	.	.	S	Bend	trans	42.7	36.4	-179.5	-167.3	0	0	0	0	115	P28 T92 G176 C177	P28-C31 PolarHBondContact O-N 2.88Å; C31-T92 HydrophobicContact CB-CG2 4.32Å; C31-T92 VanDerWaalsContact O-CG2 3.27Å; C31-T92 WeakPolarHBondContact O-CG2 3.31Å; C31-T92 PolarHBondContact O-OG1 2.87Å; C31-T92 VanDerWaalsContact O-OG1 3.12Å; C31-G176 CarbonylContact O-C 3.52Å; C31-G176 VanDerWaalsContact O-C 3.29Å; C31-G176 WeakPolarHBondContact O-CA 3.45Å; C31-C177 HydrophobicContact CB-CB 3.95Å; C31-C177 WeakPolarHBondContact CB-SG 3.34Å; C31-C177 WeakPolarHBondContact SG-CB 3.42Å; C31-C177 PolarHBondContact SG-N 2.79Å; C31-C177 CovalentContact SG-SG 2.04Å; C31-C177 PolarHBondContact SG-SG 2.93Å
32	D	92.7	Very high	72.9	Confident	51 Å²	51	78.5 Å²	78.5	27%	0.273	52%	0.515	S	S	.	.			trans	-120.1	30	-172.9	-83.2	-24.9	0	0	0	111.7	D30 T92 R145 Y175	D30-D32 VanDerWaalsContact O-CG 3.27Å; D30-D32 PolarHBondContact O-N 3.02Å; D32-T92 VanDerWaalsContact OD1-CB 3.27Å; D32-T92 WeakPolarHBondContact OD1-CB 3.3Å; D32-T92 PolarHBondContact OD1-OG1 3.14Å; D32-R145 IonicContact OD1-NH2 3Å; D32-R145 IonicContact OD2-CZ 2.63Å; D32-R145 VanDerWaalsContact OD2-CZ 3.27Å; D32-R145 IonicContact OD2-NH1 3.77Å; D32-R145 PolarHBondContact OD2-NH1 3.23Å; D32-R145 IonicContact OD2-NH2 3.27Å; D32-R145 PolarHBondContact OD2-NH2 3.47Å; D32-Y175 WeakPolarHBondContact O-CD1 3.4Å
33	S	95.1	Very high	75.8	Confident	46 Å²	46	73.3 Å²	73.3	32%	0.322	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.4	-179.4	-67.8	0	0	0	0	111.9	P28 L35 Y175 G176	P28-S33 WeakPolarHBondContact CG-OG 3.46Å; S33-L35 PolarHBondContact O-N 3.27Å; S33-Y175 CarbonylContact O-C 3.58Å; S33-Y175 VanDerWaalsContact O-CA 3.3Å; S33-Y175 WeakPolarHBondContact O-CA 3.31Å; S33-G176 WeakPolarHBondContact CB-O 3.47Å; S33-G176 PolarHBondContact N-O 3.42Å; S33-G176 PolarHBondContact O-N 3.13Å
34	P	95.9	Very high	78.6	Confident	74 Å²	74	66.9 Å²	66.9	48%	0.481	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.7	175	28.3	-33.8	0	0	0	110.9	E173 Y175	P34-E173 HydrophobicContact CB-CG 4.16Å; P34-Y175 HydrophobicContact CB-CD1 4.33Å; P34-Y175 HydrophobicContact CB-CE1 4.2Å
35	L	95.6	Very high	81.6	Confident	21 Å²	21	65.6 Å²	65.6	11%	0.11	42%	0.423	C	S	.	.			trans	-105	-37.9	-175.1	-56.5	-176.2	0	0	0	112.2	S33 L39 L85 M89 E173 V174	S33-L35 PolarHBondContact O-N 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L85 HydrophobicContact CB-CD2 4.1Å; L35-L85 HydrophobicContact CD1-CD1 4.15Å; L35-M89 HydrophobicContact CD1-CB 3.94Å; L35-M89 HydrophobicContact CD1-CE 4.31Å; L35-M89 HydrophobicContact CD1-CG 4.23Å; L35-M89 HydrophobicContact CD2-CE 3.8Å; L35-E173 PolarHBondContact N-OE1 2.96Å; L35-V174 WeakPolarHBondContact CB-O 3.42Å; L35-V174 HydrophobicContact CD1-CG1 4.34Å; L35-V174 PolarHBondContact N-O 3.3Å
36	A	93.4	Very high	84.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-75.5	-35.2	-174	0	0	0	0	0	113	A38 L39 F44 I83 E173	A36-A38 PolarHBondContact O-N 3.03Å; A36-L39 PolarHBondContact O-N 2.94Å; A36-F44 HydrophobicContact CB-CE1 4.44Å; A36-F44 HydrophobicContact CB-CZ 4.14Å; A36-I83 HydrophobicContact CB-CD1 3.26Å; A36-E173 WeakPolarHBondContact CA-OE1 3.29Å; A36-E173 WeakPolarHBondContact CB-OE1 3.17Å; A36-E173 PolarHBondContact N-OE1 3Å
37	S	89.9	Confident	87	Confident	51 Å²	51	60.1 Å²	60.1	36%	0.357	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.9	-176.9	-79.7	0	0	0	0	114.3	E173	S37-E173 VanDerWaalsContact CB-OE2 3.26Å; S37-E173 WeakPolarHBondContact CB-OE2 3.48Å; S37-E173 PolarHBondContact N-OE1 3.01Å; S37-E173 PolarHBondContact N-OE2 2.9Å; S37-E173 PolarHBondContact OG-OE2 3.48Å
38	A	87.9	Confident	89.6	Confident	91 Å²	91	56.3 Å²	56.3	75%	0.752	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.2	-178.7	0	0	0	0	0	113.9	A36	A36-A38 PolarHBondContact O-N 3.03Å
39	L	94.3	Very high	91.8	Very high	30 Å²	30	58 Å²	58	16%	0.157	35%	0.353	C	S	.	.	S	Bend	trans	-77.8	148.5	-173.2	-66.5	171.3	0	0	0	112.6	L35 A36 F44 R60 I83 L85	L35-L39 WeakPolarHBondContact O-CG 3.26Å; A36-L39 PolarHBondContact O-N 2.94Å; L39-F44 HydrophobicContact CB-CE2 4.05Å; L39-R60 PolarHBondContact O-NE 3.41Å; L39-R60 PolarHBondContact O-NH2 2.63Å; L39-I83 HydrophobicContact CD1-CD1 3.6Å; L39-I83 HydrophobicContact CD1-CG1 3.81Å; L39-L85 HydrophobicContact CD1-CD2 3.95Å
40	P	94.8	Very high	93.5	Very high	75 Å²	75	54.4 Å²	54.4	49%	0.487	33%	0.326	S	S	.	.			trans	-65.8	161.7	173.4	29.4	-35.7	0	0	0	111.8	S42 S43 F44 R60	P40-S42 PolarHBondContact O-N 2.91Å; P40-S43 WeakPolarHBondContact O-CB 3.3Å; P40-S43 PolarHBondContact O-N 3.06Å; P40-S43 VanDerWaalsContact O-N 3.1Å; P40-F44 WeakPolarHBondContact O-CD2 3.38Å; P40-R60 VanDerWaalsContact C-NH2 3.29Å; P40-R60 PolarHBondContact O-NH2 3.14Å
41	R	92.3	Very high	94.5	Very high	147 Å²	147	50.7 Å²	50.7	56%	0.555	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.7	-28.9	178.5	-70.1	-175.9	179.1	-175.5	0.8	113.1	S43 F44	R41-S43 PolarHBondContact O-N 2.95Å; R41-F44 PolarHBondContact O-N 3.2Å; R41-F44 VanDerWaalsContact O-N 3.12Å
42	S	94.7	Very high	94.7	Very high	109 Å²	109	54.7 Å²	54.7	76%	0.762	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-65	-19.1	176.8	53.6	0	0	0	0	113.8	P40 F44	P40-S42 PolarHBondContact O-N 2.91Å; S42-F44 PolarHBondContact O-N 3.43Å
43	S	97.2	Very high	94.8	Very high	15 Å²	15	54.3 Å²	54.3	11%	0.105	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-73.6	-10.3	174.2	-69.1	0	0	0	0	113.2	P40 R41 I83 D84	P40-S43 WeakPolarHBondContact O-CB 3.3Å; P40-S43 PolarHBondContact O-N 3.06Å; P40-S43 VanDerWaalsContact O-N 3.1Å; R41-S43 PolarHBondContact O-N 2.95Å; S43-I83 CarbonylContact O-C 3.29Å; S43-I83 WeakPolarHBondContact O-CA 3.08Å; S43-D84 VanDerWaalsContact CB-O 3.25Å; S43-D84 WeakPolarHBondContact CB-O 3.44Å; S43-D84 PolarHBondContact O-N 2.9Å; S43-D84 PolarHBondContact OG-O 2.54Å
44	F	97.2	Very high	94.9	Very high	10 Å²	10	53.7 Å²	53.7	4%	0.044	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.1	-177.9	-62.3	-100.4	0	0	0	110.2	A36 L39 P40 R41 S42 P56 S59 R60 Q82 I83	A36-F44 HydrophobicContact CB-CE1 4.44Å; A36-F44 HydrophobicContact CB-CZ 4.14Å; L39-F44 HydrophobicContact CB-CE2 4.05Å; P40-F44 WeakPolarHBondContact O-CD2 3.38Å; R41-F44 PolarHBondContact O-N 3.2Å; R41-F44 VanDerWaalsContact O-N 3.12Å; S42-F44 PolarHBondContact O-N 3.43Å; F44-P56 HydrophobicContact CB-CB 4.01Å; F44-S59 WeakPolarHBondContact CD1-OG 3.36Å; F44-R60 HydrophobicContact CE1-CG 4.38Å; F44-R60 HydrophobicContact CE2-CG 4.43Å; F44-R60 HydrophobicContact CZ-CG 3.87Å; F44-Q82 WeakPolarHBondContact CA-O 3.3Å; F44-I83 HydrophobicContact CD1-CD1 4.43Å; F44-I83 HydrophobicContact CD1-CG1 4.47Å; F44-I83 HydrophobicContact CE1-CD1 3.69Å; F44-I83 HydrophobicContact CE1-CG1 4.2Å; F44-I83 HydrophobicContact CZ-CD1 3.78Å; F44-I83 HydrophobicContact CZ-CG1 4.41Å
45	S	97.4	Very high	94.9	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.7	176	61.7	0	0	0	0	110.9	Q82	S45-Q82 PolarHBondContact N-O 3.29Å; S45-Q82 PolarHBondContact O-N 2.77Å; S45-Q82 WeakPolarHBondContact OG-CB 3.48Å; S45-Q82 PolarHBondContact OG-NE2 3.35Å
46	S	96.9	Very high	94.9	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.7	-179.3	55.2	0	0	0	0	112.2	S48 P56 W70 W80	S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact OG-O 2.91Å; S46-P56 WeakPolarHBondContact OG-CD 3.42Å; S46-W70 PolarHBondContact OG-NE1 2.96Å; S46-W80 CarbonylContact C-O 3.53Å; S46-W80 VanDerWaalsContact CA-O 3.25Å; S46-W80 WeakPolarHBondContact CA-O 3.18Å; S46-W80 WeakPolarHBondContact CB-O 3.38Å; S46-W80 VanDerWaalsContact O-CH2 3.3Å; S46-W80 WeakPolarHBondContact O-CH2 3.08Å
47	S	95.7	Very high	95	Very high	40 Å²	40	50.6 Å²	50.6	28%	0.28	31%	0.314	S	S	.	.	S	Bend	trans	-60.5	-40.8	173.2	48.7	0	0	0	0	113.2	Q79 W80	S47-Q79 WeakPolarHBondContact OG-CA 3.05Å; S47-Q79 PolarHBondContact OG-OE1 2.63Å; S47-W80 PolarHBondContact N-O 3.11Å; S47-W80 PolarHBondContact OG-N 3.29Å; S47-W80 PolarHBondContact OG-O 2.9Å
48	S	95.3	Very high	95.3	Very high	32 Å²	32	49.5 Å²	49.5	22%	0.224	30%	0.303	C	S	.	.			trans	-161.6	173.7	177.1	63.8	0	0	0	0	109.8	S46 W70 P72 L73 Q79	S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact OG-O 2.91Å; S48-W70 PolarHBondContact O-NE1 3.45Å; S48-P72 WeakPolarHBondContact OG-CB 3.05Å; S48-L73 PolarHBondContact OG-N 3.08Å; S48-Q79 PolarHBondContact OG-OE1 3.12Å
49	E	96.4	Very high	95.7	Very high	89 Å²	89	45.1 Å²	45.1	42%	0.416	27%	0.267	S	S	.	.			trans	-138.3	140.5	172	59.5	-177.7	-150.5	0	0	109.7	G55 T71	E49-G55 WeakPolarHBondContact OE2-CA 3Å; E49-T71 WeakPolarHBondContact CA-O 3.25Å
50	L	95.4	Very high	95.7	Very high	58 Å²	58	45 Å²	45	30%	0.304	26%	0.264	S	S	.	.	S	Bend	trans	-68.4	-37.8	-179.9	177.9	60.8	0	0	0	112.4	H54 T71 L73	L50-H54 HydrophobicContact CB-CB 4.11Å; L50-T71 HydrophobicContact CB-CG2 4.1Å; L50-T71 HydrophobicContact CD2-CG2 3.93Å; L50-T71 PolarHBondContact N-O 2.04Å; L50-L73 HydrophobicContact CD1-CD1 4.22Å
51	S	95.9	Very high	95.7	Very high	44 Å²	44	41.9 Å²	41.9	31%	0.308	24%	0.244	S	C	.	.	S	Bend	trans	-157.2	172.7	171.5	74.2	0	0	0	0	109.1	S53 H54	S51-S53 PolarHBondContact O-N 2.75Å; S51-S53 PolarHBondContact OG-N 3.03Å; S51-S53 PolarHBondContact OG-OG 3.45Å; S51-H54 PolarHBondContact O-N 3.18Å; S51-H54 PolarHBondContact OG-ND1 3.48Å
52	S	94.6	Very high	95.8	Very high	103 Å²	103	39.8 Å²	39.8	72%	0.72	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.8	176.7	58.5	0	0	0	0	114.2	F58	S52-F58 WeakPolarHBondContact O-CE2 3.48Å
53	S	95.5	Very high	95.7	Very high	42 Å²	42	40.5 Å²	40.5	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.5	175.4	64.4	0	0	0	0	114.2	S51 F58 A67	S51-S53 PolarHBondContact O-N 2.75Å; S51-S53 PolarHBondContact OG-N 3.03Å; S51-S53 PolarHBondContact OG-OG 3.45Å; S53-F58 WeakPolarHBondContact O-CD2 3.08Å; S53-A67 PolarHBondContact O-N 3.37Å
54	H	96.2	Very high	95.5	Very high	34 Å²	34	47.7 Å²	47.7	16%	0.157	25%	0.254	C	S	.	.	S	Bend	trans	-109	13.1	177	-62.2	85.9	0	0	0	112.3	L50 S51 A67 W70 T71	L50-H54 HydrophobicContact CB-CB 4.11Å; S51-H54 PolarHBondContact O-N 3.18Å; S51-H54 PolarHBondContact OG-ND1 3.48Å; H54-A67 WeakPolarHBondContact CE1-CB 3.35Å; H54-A67 WeakPolarHBondContact NE2-CB 3.27Å; H54-W70 WeakPolarHBondContact O-CA 3.27Å; H54-W70 VanDerWaalsContact O-CD1 3.29Å; H54-T71 PolarHBondContact O-N 3.31Å; H54-T71 VanDerWaalsContact O-N 3.16Å
55	G	96.4	Very high	95.1	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	27%	0.27	C	S	.	.	S	Bend	trans	-63.1	161.1	-178.6	0	0	0	0	0	113.2	E49 G57 F58	E49-G55 WeakPolarHBondContact OE2-CA 3Å; G55-G57 PolarHBondContact O-N 3.23Å; G55-G57 VanDerWaalsContact O-N 3.11Å; G55-F58 PolarHBondContact O-N 3.43Å
56	P	96.6	Very high	94.8	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.104	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.3	-175.5	26	-35.2	0	0	0	112.8	F44 S46 F58 S59 L81	F44-P56 HydrophobicContact CB-CB 4.01Å; S46-P56 WeakPolarHBondContact OG-CD 3.42Å; P56-F58 PolarHBondContact O-N 3.32Å; P56-F58 VanDerWaalsContact O-N 3.15Å; P56-S59 VanDerWaalsContact O-CB 3.25Å; P56-S59 WeakPolarHBondContact O-CB 3.38Å; P56-S59 PolarHBondContact O-N 3.38Å; P56-S59 PolarHBondContact O-OG 2.82Å; P56-L81 HydrophobicContact CB-CD1 3.68Å
57	G	95.1	Very high	94.6	Very high	9 Å²	9	51.6 Å²	51.6	9%	0.093	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.8	-13.1	176.2	0	0	0	0	0	115.3	G55 R60	G55-G57 PolarHBondContact O-N 3.23Å; G55-G57 VanDerWaalsContact O-N 3.11Å; G57-R60 PolarHBondContact O-NH1 2.71Å
58	F	95.3	Very high	94.5	Very high	28 Å²	28	49.8 Å²	49.8	12%	0.123	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-93.8	0.3	174.3	-60.6	-70.6	0	0	0	113.3	S52 S53 G55 P56 R60 D65	S52-F58 WeakPolarHBondContact O-CE2 3.48Å; S53-F58 WeakPolarHBondContact O-CD2 3.08Å; G55-F58 PolarHBondContact O-N 3.43Å; P56-F58 PolarHBondContact O-N 3.32Å; P56-F58 VanDerWaalsContact O-N 3.15Å; F58-R60 PolarHBondContact O-N 2.91Å; F58-R60 VanDerWaalsContact O-N 3.13Å; F58-D65 HydrophobicContact CD1-CB 3.67Å; F58-D65 HydrophobicContact CE1-CB 4.06Å
59	S	96.1	Very high	94.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.			trans	-78.9	17.1	-178.4	68.4	0	0	0	0	114.4	F44 P56 R171 I172	F44-S59 WeakPolarHBondContact CD1-OG 3.36Å; P56-S59 VanDerWaalsContact O-CB 3.25Å; P56-S59 WeakPolarHBondContact O-CB 3.38Å; P56-S59 PolarHBondContact O-N 3.38Å; P56-S59 PolarHBondContact O-OG 2.82Å; S59-R171 CarbonylContact O-C 3.48Å; S59-R171 WeakPolarHBondContact O-CA 3.38Å; S59-I172 WeakPolarHBondContact O-CG1 3.41Å; S59-I172 PolarHBondContact O-N 2.95Å
60	R	95.4	Very high	94.5	Very high	26 Å²	26	44.1 Å²	44.1	10%	0.098	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-75.5	137.1	177.3	-70.3	-176.2	-168	75.4	6.3	110.5	L39 P40 F44 G57 F58 R63	L39-R60 PolarHBondContact O-NE 3.41Å; L39-R60 PolarHBondContact O-NH2 2.63Å; P40-R60 VanDerWaalsContact C-NH2 3.29Å; P40-R60 PolarHBondContact O-NH2 3.14Å; F44-R60 HydrophobicContact CE1-CG 4.38Å; F44-R60 HydrophobicContact CE2-CG 4.43Å; F44-R60 HydrophobicContact CZ-CG 3.87Å; G57-R60 PolarHBondContact O-NH1 2.71Å; F58-R60 PolarHBondContact O-N 2.91Å; F58-R60 VanDerWaalsContact O-N 3.13Å; R60-R63 HydrophobicContact CB-CB 4.35Å; R60-R63 HydrophobicContact CB-CG 3.72Å; R60-R63 WeakPolarHBondContact O-CB 3.46Å; R60-R63 PolarHBondContact O-N 2.86Å
61	L	95.3	Very high	94.7	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	141.6	177.7	-163.3	73.7	0	0	0	111.9	R63 A95 Q97 V141 I172 E173	L61-R63 PolarHBondContact O-N 3.4Å; L61-A95 HydrophobicContact CD2-CB 4.17Å; L61-Q97 HydrophobicContact CD1-CB 3.56Å; L61-V141 HydrophobicContact CD1-CG1 4.09Å; L61-V141 HydrophobicContact CD1-CG2 4.07Å; L61-V141 HydrophobicContact CD2-CG1 3.96Å; L61-V141 HydrophobicContact CD2-CG2 4.31Å; L61-V141 HydrophobicContact CG-CG2 4.31Å; L61-I172 PolarHBondContact N-O 3.41Å; L61-E173 HydrophobicContact CB-CB 3.77Å; L61-E173 HydrophobicContact CD2-CB 3.67Å; L61-E173 HydrophobicContact CD2-CG 4.43Å; L61-E173 HydrophobicContact CG-CB 4.26Å
62	N	94.3	Very high	94.7	Very high	102 Å²	102	39.4 Å²	39.4	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	0.6	178.8	-63.6	-42.5	0	0	0	116.3	Q97	N62-Q97 PolarHBondContact OD1-NE2 2.97Å; N62-Q97 PolarHBondContact OD1-OE1 3.02Å
63	R	91.7	Very high	94.7	Very high	125 Å²	125	39.2 Å²	39.2	47%	0.472	21%	0.208	S	C	.	.			trans	-77.1	147.7	172.4	-65	-61.6	-173.5	138.7	-5.9	110.5	R60 L61 D65 R171	R60-R63 HydrophobicContact CB-CB 4.35Å; R60-R63 HydrophobicContact CB-CG 3.72Å; R60-R63 WeakPolarHBondContact O-CB 3.46Å; R60-R63 PolarHBondContact O-N 2.86Å; L61-R63 PolarHBondContact O-N 3.4Å; R63-D65 IonicContact NH1-OD2 3.87Å; R63-R171 VanDerWaalsContact O-CD 3.25Å; R63-R171 WeakPolarHBondContact O-CD 3.45Å; R63-R171 PolarHBondContact O-NH1 3.06Å
64	R	93.3	Very high	94.4	Very high	165 Å²	165	41 Å²	41	62%	0.623	22%	0.217	S	C	*	.			trans	-116.7	16.6	176.4	-57.9	-179.4	-179.2	-167.4	3.1	111.4	Y100	R64-Y100 HydrophobicContact CB-CD1 3.84Å; R64-Y100 HydrophobicContact CB-CE1 4.11Å; R64-Y100 HydrophobicContact CB-CG 4.27Å; R64-Y100 HydrophobicContact CG-CD1 3.78Å; R64-Y100 HydrophobicContact CG-CD2 4.02Å; R64-Y100 HydrophobicContact CG-CE1 3.94Å; R64-Y100 HydrophobicContact CG-CE2 4.19Å; R64-Y100 HydrophobicContact CG-CG 3.83Å; R64-Y100 PolarHBondContact NH1-OH 3.03Å
65	D	89.1	Confident	94.1	Very high	68 Å²	68	41 Å²	41	36%	0.364	22%	0.221	S	C	.	.			trans	-71.6	156.4	-178	-58.7	-44.1	0	0	0	110.7	F58 R63 G68	F58-D65 HydrophobicContact CD1-CB 3.67Å; F58-D65 HydrophobicContact CE1-CB 4.06Å; R63-D65 IonicContact NH1-OD2 3.87Å; D65-G68 PolarHBondContact O-N 3.44Å; D65-G68 VanDerWaalsContact O-N 3.14Å
66	G	90.8	Very high	93.5	Very high	48 Å²	48	43.1 Å²	43.1	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-136.8	-179.6	0	0	0	0	0	111.7	G68	G66-G68 VanDerWaalsContact C-N 3.27Å
67	A	92.5	Very high	92.9	Very high	40 Å²	40	48.4 Å²	48.4	33%	0.331	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	22.7	173.5	0	0	0	0	0	112.9	S53 H54	S53-A67 PolarHBondContact O-N 3.37Å; H54-A67 WeakPolarHBondContact CE1-CB 3.35Å; H54-A67 WeakPolarHBondContact NE2-CB 3.27Å
68	G	92.8	Very high	92.5	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.021	28%	0.275	C	S	.	.	S	Bend	trans	95	-0.3	171.7	0	0	0	0	0	116.2	D65 G66 Y100 R171	D65-G68 PolarHBondContact O-N 3.44Å; D65-G68 VanDerWaalsContact O-N 3.14Å; G66-G68 VanDerWaalsContact C-N 3.27Å; G68-Y100 PolarHBondContact O-N 3.08Å; G68-R171 VanDerWaalsContact O-CD 3.26Å; G68-R171 WeakPolarHBondContact O-CD 3.27Å; G68-R171 PolarHBondContact O-NE 2.65Å
69	G	95.8	Very high	92.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	164.1	-173.9	177.1	0	0	0	0	0	112.8
70	W	97.6	Very high	92.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-82.4	134.4	169.1	168.1	70.3	0	0	0	111.1	S46 S48 H54 P72 Q79 W80 L81 P159 I168 G169 M170	S46-W70 PolarHBondContact OG-NE1 2.96Å; S48-W70 PolarHBondContact O-NE1 3.45Å; H54-W70 WeakPolarHBondContact O-CA 3.27Å; H54-W70 VanDerWaalsContact O-CD1 3.29Å; W70-P72 HydrophobicContact CH2-CB 4.42Å; W70-P72 HydrophobicContact CH2-CG 4.25Å; W70-P72 HydrophobicContact CZ2-CB 3.85Å; W70-P72 HydrophobicContact CZ2-CG 4.12Å; W70-Q79 HydrophobicContact CH2-CB 4.12Å; W70-W80 WeakPolarHBondContact CH2-O 3.17Å; W70-W80 VanDerWaalsContact CZ2-O 3.27Å; W70-W80 WeakPolarHBondContact CZ2-O 3.36Å; W70-L81 HydrophobicContact CB-CD1 4.21Å; W70-L81 HydrophobicContact CB-CD2 4.47Å; W70-L81 HydrophobicContact CD2-CB 4.09Å; W70-L81 HydrophobicContact CD2-CD1 4.01Å; W70-L81 HydrophobicContact CD2-CD2 4.42Å; W70-L81 HydrophobicContact CD2-CG 4.4Å; W70-L81 HydrophobicContact CE3-CB 3.69Å; W70-L81 HydrophobicContact CE3-CD1 4.33Å; W70-L81 HydrophobicContact CE3-CD2 3.99Å; W70-L81 HydrophobicContact CE3-CG 4.22Å; W70-L81 HydrophobicContact CG-CD1 3.95Å; W70-L81 HydrophobicContact CH2-CB 4.05Å; W70-L81 HydrophobicContact CZ2-CB 4.46Å; W70-L81 HydrophobicContact CZ3-CB 3.67Å; W70-P159 HydrophobicContact CH2-CG 4.44Å; W70-P159 HydrophobicContact CZ3-CG 4.19Å; W70-I168 HydrophobicContact CE3-CG2 4.36Å; W70-I168 HydrophobicContact CH2-CG2 4.2Å; W70-I168 HydrophobicContact CZ3-CG2 3.74Å; W70-G169 WeakPolarHBondContact O-CA 3.34Å; W70-M170 HydrophobicContact CE3-CB 4.07Å; W70-M170 HydrophobicContact CE3-CG 4.19Å; W70-M170 HydrophobicContact CE3-SD 4.37Å; W70-M170 HydrophobicContact CZ3-CG 4.26Å; W70-M170 HydrophobicContact CZ3-SD 3.98Å; W70-M170 PolarHBondContact N-O 3.19Å; W70-M170 PolarHBondContact O-N 2.8Å
71	T	97.8	Very high	92.6	Very high	3 Å²	3	56 Å²	56	2%	0.018	28%	0.279	C	S	.	.			trans	-139	125.6	172.1	-65.8	0	0	0	0	109.5	E49 L50 H54 R167 I168	E49-T71 WeakPolarHBondContact CA-O 3.25Å; L50-T71 HydrophobicContact CB-CG2 4.1Å; L50-T71 HydrophobicContact CD2-CG2 3.93Å; L50-T71 PolarHBondContact N-O 2.04Å; H54-T71 PolarHBondContact O-N 3.31Å; H54-T71 VanDerWaalsContact O-N 3.16Å; T71-R167 HydrophobicContact CG2-CB 4.35Å; T71-I168 WeakPolarHBondContact CA-O 3.45Å; T71-I168 WeakPolarHBondContact CB-O 3.11Å; T71-I168 VanDerWaalsContact CG2-O 3.27Å; T71-I168 WeakPolarHBondContact CG2-O 3.47Å; T71-I168 PolarHBondContact OG1-O 3.01Å; T71-I168 VanDerWaalsContact OG1-O 3.1Å
72	P	96.9	Very high	92.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.			trans	-71.5	160.1	177.4	29.6	-33.8	0	0	0	111.8	S48 W70 V74 Q79 I168	S48-P72 WeakPolarHBondContact OG-CB 3.05Å; W70-P72 HydrophobicContact CH2-CB 4.42Å; W70-P72 HydrophobicContact CH2-CG 4.25Å; W70-P72 HydrophobicContact CZ2-CB 3.85Å; W70-P72 HydrophobicContact CZ2-CG 4.12Å; P72-V74 VanDerWaalsContact C-N 3.29Å; P72-V74 PolarHBondContact O-N 3.48Å; P72-Q79 HydrophobicContact CB-CB 4.19Å; P72-Q79 HydrophobicContact CB-CG 3.75Å; P72-Q79 VanDerWaalsContact CB-OE1 3.27Å; P72-Q79 HydrophobicContact CG-CB 4.11Å; P72-Q79 HydrophobicContact CG-CG 3.75Å; P72-I168 HydrophobicContact CG-CB 3.78Å; P72-I168 HydrophobicContact CG-CD1 4.09Å; P72-I168 HydrophobicContact CG-CG1 4.5Å; P72-I168 HydrophobicContact CG-CG2 3.88Å
73	L	94.8	Very high	92.8	Very high	100 Å²	100	51.6 Å²	51.6	52%	0.524	26%	0.255	S	S	.	.	S	Bend	trans	-59.7	-41.7	176.5	-178.3	62.6	0	0	0	111.8	S48 L50	S48-L73 PolarHBondContact OG-N 3.08Å; L50-L73 HydrophobicContact CD1-CD1 4.22Å
74	V	88.8	Confident	93.1	Very high	79 Å²	79	47.2 Å²	47.2	48%	0.479	24%	0.241	S	C	.	.	S	Bend	trans	-123.5	131.4	178	-177.7	0	0	0	0	108.9	P72 N76 Q79	P72-V74 VanDerWaalsContact C-N 3.29Å; P72-V74 PolarHBondContact O-N 3.48Å; V74-N76 PolarHBondContact O-N 3Å; V74-Q79 WeakPolarHBondContact O-CG 3.32Å; V74-Q79 PolarHBondContact O-NE2 2.92Å
75	S	89.3	Confident	93.3	Very high	34 Å²	34	40 Å²	40	24%	0.238	22%	0.215	C	C	.	.			trans	-87.7	98.6	174.5	-67.2	0	0	0	0	110.6	W162 R167 I168	S75-W162 WeakPolarHBondContact O-CZ2 3.5Å; S75-R167 WeakPolarHBondContact OG-CB 3.42Å; S75-I168 PolarHBondContact OG-N 2.84Å; S75-I168 VanDerWaalsContact OG-N 3.11Å
76	N	85.4	Confident	93.5	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.262	21%	0.214	S	C	.	.	S	Bend	trans	-144.9	172.9	174.4	66.5	32.1	0	0	0	110.7	V74 Y78 Q79	V74-N76 PolarHBondContact O-N 3Å; N76-Y78 HydrophobicContact CB-CD2 4.47Å; N76-Y78 PolarHBondContact O-N 2.76Å; N76-Y78 VanDerWaalsContact O-N 3.09Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.36Å; N76-Y78 PolarHBondContact OD1-N 3.49Å; N76-Q79 WeakPolarHBondContact O-CG 3.33Å; N76-Q79 PolarHBondContact O-N 2.83Å; N76-Q79 PolarHBondContact OD1-NE2 3.06Å
77	K	82.9	Confident	93.5	Very high	126 Å²	126	43 Å²	43	55%	0.548	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-1.8	-177.8	69.1	-176	-178.6	-176.5	0	115.6
78	Y	86.1	Confident	93.5	Very high	143 Å²	143	42.9 Å²	42.9	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.1	-178.9	-53.4	-72.1	0	0	0	112.5	N76	N76-Y78 HydrophobicContact CB-CD2 4.47Å; N76-Y78 PolarHBondContact O-N 2.76Å; N76-Y78 VanDerWaalsContact O-N 3.09Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.36Å; N76-Y78 PolarHBondContact OD1-N 3.49Å
79	Q	94.6	Very high	93.6	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.075	22%	0.219	C	C	.	.			trans	-75.3	151.9	178.8	-55.3	-52.2	-50.1	0	0	111.1	S47 S48 W70 P72 V74 N76 P159 I168	S47-Q79 WeakPolarHBondContact OG-CA 3.05Å; S47-Q79 PolarHBondContact OG-OE1 2.63Å; S48-Q79 PolarHBondContact OG-OE1 3.12Å; W70-Q79 HydrophobicContact CH2-CB 4.12Å; P72-Q79 HydrophobicContact CB-CB 4.19Å; P72-Q79 HydrophobicContact CB-CG 3.75Å; P72-Q79 VanDerWaalsContact CB-OE1 3.27Å; P72-Q79 HydrophobicContact CG-CB 4.11Å; P72-Q79 HydrophobicContact CG-CG 3.75Å; V74-Q79 WeakPolarHBondContact O-CG 3.32Å; V74-Q79 PolarHBondContact O-NE2 2.92Å; N76-Q79 WeakPolarHBondContact O-CG 3.33Å; N76-Q79 PolarHBondContact O-N 2.83Å; N76-Q79 PolarHBondContact OD1-NE2 3.06Å; Q79-P159 VanDerWaalsContact O-CD 3.3Å; Q79-P159 WeakPolarHBondContact O-CD 3.05Å; Q79-I168 HydrophobicContact CB-CD1 4.08Å; Q79-I168 HydrophobicContact CG-CD1 4.03Å
80	W	96.9	Very high	93.6	Very high	64 Å²	64	46.7 Å²	46.7	24%	0.242	23%	0.231	C	C	.	.			trans	-150.3	147.8	176.6	56	-97.3	0	0	0	111.5	S46 S47 W70 Q82 R156 F157 L158	S46-W80 CarbonylContact C-O 3.53Å; S46-W80 VanDerWaalsContact CA-O 3.25Å; S46-W80 WeakPolarHBondContact CA-O 3.18Å; S46-W80 WeakPolarHBondContact CB-O 3.38Å; S46-W80 VanDerWaalsContact O-CH2 3.3Å; S46-W80 WeakPolarHBondContact O-CH2 3.08Å; S47-W80 PolarHBondContact N-O 3.11Å; S47-W80 PolarHBondContact OG-N 3.29Å; S47-W80 PolarHBondContact OG-O 2.9Å; W70-W80 WeakPolarHBondContact CH2-O 3.17Å; W70-W80 VanDerWaalsContact CZ2-O 3.27Å; W70-W80 WeakPolarHBondContact CZ2-O 3.36Å; W80-Q82 HydrophobicContact CE3-CB 3.69Å; W80-Q82 HydrophobicContact CZ3-CB 3.55Å; W80-R156 HydrophobicContact CB-CG 3.72Å; W80-R156 HydrophobicContact CD2-CG 4.4Å; W80-R156 HydrophobicContact CE3-CG 4.19Å; W80-R156 HydrophobicContact CG-CG 4.25Å; W80-F157 WeakPolarHBondContact CA-O 3.18Å; W80-L158 HydrophobicContact CB-CD1 4.47Å; W80-L158 HydrophobicContact CB-CG 4.2Å
81	L	98	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	169.7	176	64.4	0	0	0	108.4	P56 W70 R156 F157 M170 I172	P56-L81 HydrophobicContact CB-CD1 3.68Å; W70-L81 HydrophobicContact CB-CD1 4.21Å; W70-L81 HydrophobicContact CB-CD2 4.47Å; W70-L81 HydrophobicContact CD2-CB 4.09Å; W70-L81 HydrophobicContact CD2-CD1 4.01Å; W70-L81 HydrophobicContact CD2-CD2 4.42Å; W70-L81 HydrophobicContact CD2-CG 4.4Å; W70-L81 HydrophobicContact CE3-CB 3.69Å; W70-L81 HydrophobicContact CE3-CD1 4.33Å; W70-L81 HydrophobicContact CE3-CD2 3.99Å; W70-L81 HydrophobicContact CE3-CG 4.22Å; W70-L81 HydrophobicContact CG-CD1 3.95Å; W70-L81 HydrophobicContact CH2-CB 4.05Å; W70-L81 HydrophobicContact CZ2-CB 4.46Å; W70-L81 HydrophobicContact CZ3-CB 3.67Å; L81-R156 CarbonylContact O-C 3.5Å; L81-R156 VanDerWaalsContact O-CA 3.29Å; L81-R156 WeakPolarHBondContact O-CA 3.27Å; L81-F157 PolarHBondContact N-O 2.75Å; L81-F157 PolarHBondContact O-N 2.88Å; L81-M170 HydrophobicContact CD2-CB 4.18Å; L81-I172 HydrophobicContact CD2-CD1 3.86Å; L81-I172 HydrophobicContact CD2-CG1 4.08Å; L81-I172 HydrophobicContact CD2-CG2 4Å; L81-I172 HydrophobicContact CG-CD1 4.25Å
82	Q	97.4	Very high	93.5	Very high	21 Å²	21	47 Å²	47	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.9	-173.2	177.1	178.8	-54	0	0	111.2	F44 S45 W80 W120 L155 R156	F44-Q82 WeakPolarHBondContact CA-O 3.3Å; S45-Q82 PolarHBondContact N-O 3.29Å; S45-Q82 PolarHBondContact O-N 2.77Å; S45-Q82 WeakPolarHBondContact OG-CB 3.48Å; S45-Q82 PolarHBondContact OG-NE2 3.35Å; W80-Q82 HydrophobicContact CE3-CB 3.69Å; W80-Q82 HydrophobicContact CZ3-CB 3.55Å; Q82-W120 HydrophobicContact CG-CH2 4.01Å; Q82-W120 HydrophobicContact CG-CZ2 4.5Å; Q82-L155 CarbonylContact C-O 3.5Å; Q82-L155 VanDerWaalsContact CA-O 3.28Å; Q82-L155 WeakPolarHBondContact CA-O 3.14Å; Q82-L155 WeakPolarHBondContact CG-O 3.34Å; Q82-R156 HydrophobicContact CB-CB 4.42Å; Q82-R156 HydrophobicContact CB-CG 4.29Å; Q82-R156 VanDerWaalsContact OE1-NE 3.16Å
83	I	97.6	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.4	172.5	-174.8	166.1	0	0	0	110.6	A36 L39 S43 F44 L85 F154 L155 V174	A36-I83 HydrophobicContact CB-CD1 3.26Å; L39-I83 HydrophobicContact CD1-CD1 3.6Å; L39-I83 HydrophobicContact CD1-CG1 3.81Å; S43-I83 CarbonylContact O-C 3.29Å; S43-I83 WeakPolarHBondContact O-CA 3.08Å; F44-I83 HydrophobicContact CD1-CD1 4.43Å; F44-I83 HydrophobicContact CD1-CG1 4.47Å; F44-I83 HydrophobicContact CE1-CD1 3.69Å; F44-I83 HydrophobicContact CE1-CG1 4.2Å; F44-I83 HydrophobicContact CZ-CD1 3.78Å; F44-I83 HydrophobicContact CZ-CG1 4.41Å; I83-L85 HydrophobicContact CD1-CD2 4.02Å; I83-L85 HydrophobicContact CG1-CD2 4.12Å; I83-F154 WeakPolarHBondContact O-CA 3.33Å; I83-L155 HydrophobicContact CG2-CB 3.73Å; I83-L155 HydrophobicContact CG2-CD1 4.36Å; I83-L155 PolarHBondContact N-O 2.96Å; I83-L155 PolarHBondContact O-N 2.92Å; I83-V174 HydrophobicContact CG2-CG2 4.22Å
84	D	97.6	Very high	93.6	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.171	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.2	167.1	-177.6	2.2	0	0	0	109	S43 G86 R153 F154	S43-D84 VanDerWaalsContact CB-O 3.25Å; S43-D84 WeakPolarHBondContact CB-O 3.44Å; S43-D84 PolarHBondContact O-N 2.9Å; S43-D84 PolarHBondContact OG-O 2.54Å; D84-G86 PolarHBondContact O-N 3.09Å; D84-G86 WeakPolarHBondContact OD1-CA 3.46Å; D84-G86 PolarHBondContact OD1-N 3.33Å; D84-R153 VanDerWaalsContact OD1-CG 3.28Å; D84-R153 WeakPolarHBondContact OD1-CG 3.44Å; D84-R153 IonicContact OD1-CZ 2.93Å; D84-R153 IonicContact OD1-NE 3.42Å; D84-R153 PolarHBondContact OD1-NE 3.33Å; D84-R153 IonicContact OD1-NH2 4Å; D84-R153 PolarHBondContact OD1-NH2 2.74Å; D84-R153 IonicContact OD2-CZ 3.71Å; D84-R153 IonicContact OD2-NE 3.74Å; D84-R153 IonicContact OD2-NH2 2.76Å; D84-R153 PolarHBondContact OD2-NH2 2.8Å; D84-F154 HydrophobicContact CB-CD1 3.72Å; D84-F154 HydrophobicContact CB-CE1 3.52Å; D84-F154 HydrophobicContact CB-CZ 4.46Å; D84-F154 WeakPolarHBondContact OD2-CE1 3.36Å
85	L	96.7	Very high	94	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-3.9	178.2	-57.8	180	0	0	0	113	L35 L39 I83 E87 M89 V91 R153 L155	L35-L85 HydrophobicContact CB-CD2 4.1Å; L35-L85 HydrophobicContact CD1-CD1 4.15Å; L39-L85 HydrophobicContact CD1-CD2 3.95Å; I83-L85 HydrophobicContact CD1-CD2 4.02Å; I83-L85 HydrophobicContact CG1-CD2 4.12Å; L85-E87 PolarHBondContact O-N 2.86Å; L85-E87 VanDerWaalsContact O-N 3.12Å; L85-M89 HydrophobicContact CB-CG 3.82Å; L85-M89 HydrophobicContact CD1-CB 3.78Å; L85-M89 HydrophobicContact CD1-CG 3.79Å; L85-M89 HydrophobicContact CG-CG 4.43Å; L85-V91 HydrophobicContact CD1-CG2 4.13Å; L85-R153 VanDerWaalsContact CB-O 3.31Å; L85-R153 WeakPolarHBondContact CB-O 3.34Å; L85-R153 WeakPolarHBondContact CG-O 3.25Å; L85-R153 PolarHBondContact N-O 3.49Å; L85-L155 HydrophobicContact CD1-CD1 3.52Å; L85-L155 HydrophobicContact CD2-CD1 4.48Å; L85-L155 HydrophobicContact CG-CD1 3.92Å
86	G	93.9	Very high	94.4	Very high	34 Å²	34	36.9 Å²	36.9	35%	0.351	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.3	-50.2	179.9	0	0	0	0	0	112.5	D84 R153	D84-G86 PolarHBondContact O-N 3.09Å; D84-G86 WeakPolarHBondContact OD1-CA 3.46Å; D84-G86 PolarHBondContact OD1-N 3.33Å; G86-R153 WeakPolarHBondContact O-CD 3.48Å; G86-R153 PolarHBondContact O-NE 3Å; G86-R153 VanDerWaalsContact O-NE 3.16Å; G86-R153 PolarHBondContact O-NH1 2.82Å
87	E	91.3	Very high	95	Very high	146 Å²	146	35 Å²	35	68%	0.682	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	173.7	176.4	-60.8	-168.7	134.8	0	0	110.9	L85 M89 R153	L85-E87 PolarHBondContact O-N 2.86Å; L85-E87 VanDerWaalsContact O-N 3.12Å; E87-M89 PolarHBondContact O-N 2.94Å; E87-R153 WeakPolarHBondContact O-CA 3.31Å
88	R	91.6	Very high	95.7	Very high	36 Å²	36	29 Å²	29	14%	0.136	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.5	176.7	-160.5	172.5	-176.3	-127.5	-11	108.3	D115 E151 E334	R88-D115 IonicContact CZ-OD1 3.48Å; R88-D115 IonicContact NE-OD1 2.69Å; R88-D115 PolarHBondContact NE-OD1 3.34Å; R88-D115 IonicContact NE-OD2 2.83Å; R88-D115 IonicContact NH2-OD1 3.76Å; R88-E151 HydrophobicContact CG-CB 4.32Å; R88-E151 IonicContact NH2-OE2 3.07Å; R88-E334 IonicContact CZ-OE1 2.79Å; R88-E334 IonicContact CZ-OE2 3.58Å; R88-E334 IonicContact NH1-OE1 2.57Å; R88-E334 PolarHBondContact NH1-OE1 2.94Å; R88-E334 IonicContact NH1-OE2 2.8Å; R88-E334 PolarHBondContact NH1-OE2 2.92Å
89	M	94.8	Very high	96.2	Very high	28 Å²	28	22.2 Å²	22.2	14%	0.138	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.2	-177.2	-53.7	-59.8	-80.2	0	0	109.6	L35 L85 E87 E151 A152 A178	L35-M89 HydrophobicContact CD1-CB 3.94Å; L35-M89 HydrophobicContact CD1-CE 4.31Å; L35-M89 HydrophobicContact CD1-CG 4.23Å; L35-M89 HydrophobicContact CD2-CE 3.8Å; L85-M89 HydrophobicContact CB-CG 3.82Å; L85-M89 HydrophobicContact CD1-CB 3.78Å; L85-M89 HydrophobicContact CD1-CG 3.79Å; L85-M89 HydrophobicContact CG-CG 4.43Å; E87-M89 PolarHBondContact O-N 2.94Å; M89-E151 VanDerWaalsContact O-CA 3.27Å; M89-E151 WeakPolarHBondContact O-CA 3.28Å; M89-A152 PolarHBondContact N-O 3.14Å; M89-A152 PolarHBondContact O-N 3.41Å; M89-A178 HydrophobicContact CE-CB 4.18Å
90	E	95.6	Very high	96.2	Very high	55 Å²	55	25.4 Å²	25.4	26%	0.257	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.9	165.4	-177.9	172.9	-176.5	0	0	108	T92 P149 G176 C177	E90-T92 HydrophobicContact CG-CG2 4.47Å; E90-P149 HydrophobicContact CG-CB 4.36Å; E90-G176 CarbonylContact O-C 3.54Å; E90-G176 WeakPolarHBondContact O-CA 3.44Å; E90-C177 PolarHBondContact N-O 2.88Å; E90-C177 PolarHBondContact O-N 3.32Å; E90-C177 VanDerWaalsContact O-N 3.09Å
91	V	96.8	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.7	-177.7	-175.7	0	0	0	0	109.6	L85 L146 P149 F150 L155 V174	L85-V91 HydrophobicContact CD1-CG2 4.13Å; V91-L146 HydrophobicContact CG1-CD1 3.68Å; V91-P149 VanDerWaalsContact O-CA 3.29Å; V91-P149 WeakPolarHBondContact O-CA 3.43Å; V91-P149 VanDerWaalsContact O-CB 3.28Å; V91-P149 WeakPolarHBondContact O-CB 3.32Å; V91-F150 HydrophobicContact CB-CE1 4.31Å; V91-F150 HydrophobicContact CB-CE2 4.19Å; V91-F150 HydrophobicContact CB-CZ 4.08Å; V91-F150 HydrophobicContact CG1-CE1 4.3Å; V91-F150 HydrophobicContact CG1-CZ 4.14Å; V91-F150 HydrophobicContact CG2-CE2 4.22Å; V91-F150 HydrophobicContact CG2-CZ 4.46Å; V91-F150 PolarHBondContact N-O 2.76Å; V91-F150 PolarHBondContact O-N 2.85Å; V91-L155 HydrophobicContact CG1-CD2 4.08Å; V91-L155 HydrophobicContact CG2-CD1 4.2Å; V91-L155 HydrophobicContact CG2-CD2 4.34Å; V91-V174 HydrophobicContact CG1-CG1 3.61Å; V91-V174 HydrophobicContact CG2-CG1 4.2Å
92	T	96.4	Very high	95.8	Very high	11 Å²	11	27.5 Å²	27.5	7%	0.067	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-26.3	-175.2	59.8	0	0	0	0	113	C31 D32 E90 L146 P149 Y175	C31-T92 HydrophobicContact CB-CG2 4.32Å; C31-T92 VanDerWaalsContact O-CG2 3.27Å; C31-T92 WeakPolarHBondContact O-CG2 3.31Å; C31-T92 PolarHBondContact O-OG1 2.87Å; C31-T92 VanDerWaalsContact O-OG1 3.12Å; D32-T92 VanDerWaalsContact OD1-CB 3.27Å; D32-T92 WeakPolarHBondContact OD1-CB 3.3Å; D32-T92 PolarHBondContact OD1-OG1 3.14Å; E90-T92 HydrophobicContact CG-CG2 4.47Å; T92-L146 WeakPolarHBondContact O-CB 3.29Å; T92-L146 PolarHBondContact O-N 2.8Å; T92-P149 HydrophobicContact CG2-CB 4.21Å; T92-Y175 PolarHBondContact N-O 3.33Å; T92-Y175 PolarHBondContact OG1-O 3.13Å
93	A	96.3	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.8	176.6	0	0	0	0	0	112.8	H143 Y144 Y175	A93-H143 WeakPolarHBondContact CB-NE2 3.32Å; A93-Y144 VanDerWaalsContact CA-O 3.27Å; A93-Y144 WeakPolarHBondContact CA-O 3.49Å; A93-Y144 VanDerWaalsContact CB-O 3.29Å; A93-Y144 WeakPolarHBondContact CB-O 3.5Å; A93-Y175 HydrophobicContact CB-CD2 4.06Å; A93-Y175 HydrophobicContact CB-CG 4.38Å; A93-Y175 PolarHBondContact N-O 3.05Å; A93-Y175 PolarHBondContact O-N 2.87Å
94	V	97.2	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.9	169.4	-65.7	0	0	0	0	109.4	L111 Y144 L146 L155 F157 E173	V94-L111 HydrophobicContact CG1-CD1 4.43Å; V94-L111 HydrophobicContact CG1-CD2 4.05Å; V94-L111 HydrophobicContact CG2-CD2 4.33Å; V94-Y144 PolarHBondContact N-O 2.84Å; V94-Y144 PolarHBondContact O-N 2.88Å; V94-L146 HydrophobicContact CG1-CD1 4.25Å; V94-L155 HydrophobicContact CG1-CD2 4.28Å; V94-F157 HydrophobicContact CB-CE1 4.11Å; V94-F157 HydrophobicContact CB-CZ 4.11Å; V94-F157 HydrophobicContact CG1-CE1 4.32Å; V94-F157 HydrophobicContact CG1-CZ 3.95Å; V94-F157 HydrophobicContact CG2-CE1 4.42Å; V94-E173 WeakPolarHBondContact CA-O 3.37Å
95	A	97.9	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.7	171.2	0	0	0	0	0	111.7	L61 V141 V142 H143 I172 E173 Y175	L61-A95 HydrophobicContact CD2-CB 4.17Å; A95-V141 HydrophobicContact CB-CG1 3.88Å; A95-V142 CarbonylContact C-O 3.51Å; A95-V142 WeakPolarHBondContact CA-O 3.24Å; A95-H143 HydrophobicContact CB-CB 4.39Å; A95-I172 CarbonylContact O-C 3.59Å; A95-I172 VanDerWaalsContact O-CA 3.24Å; A95-I172 WeakPolarHBondContact O-CA 3.38Å; A95-E173 HydrophobicContact CB-CB 4.36Å; A95-E173 PolarHBondContact N-O 3.15Å; A95-E173 PolarHBondContact O-N 2.9Å; A95-Y175 HydrophobicContact CB-CE2 3.84Å
96	T	97.9	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.2	176.7	67.3	0	0	0	0	111.5	Y109 N135 V142 F157 M170 R171 I172	T96-Y109 HydrophobicContact CG2-CD1 4.29Å; T96-Y109 HydrophobicContact CG2-CE1 3.61Å; T96-Y109 HydrophobicContact CG2-CE2 4.43Å; T96-N135 WeakPolarHBondContact CB-OD1 3.35Å; T96-N135 PolarHBondContact O-ND2 2.9Å; T96-N135 PolarHBondContact OG1-OD1 2.8Å; T96-V142 PolarHBondContact N-O 3.26Å; T96-V142 PolarHBondContact O-N 3.39Å; T96-F157 HydrophobicContact CG2-CD1 4.34Å; T96-F157 HydrophobicContact CG2-CE1 4.23Å; T96-M170 HydrophobicContact CG2-CE 4.06Å; T96-R171 CarbonylContact C-O 3.46Å; T96-R171 WeakPolarHBondContact CA-O 3.38Å; T96-I172 HydrophobicContact CG2-CG2 4.37Å
97	Q	97.7	Very high	95.9	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.4	176.9	-170.5	-178.9	41.4	0	0	108.3	L61 N62 N135 A138 D139 V141 M170 R171	L61-Q97 HydrophobicContact CD1-CB 3.56Å; N62-Q97 PolarHBondContact OD1-NE2 2.97Å; N62-Q97 PolarHBondContact OD1-OE1 3.02Å; Q97-N135 VanDerWaalsContact CA-ND2 3.27Å; Q97-N135 WeakPolarHBondContact CA-ND2 3.21Å; Q97-N135 PolarHBondContact N-OD1 3.37Å; Q97-A138 WeakPolarHBondContact CG-O 3.49Å; Q97-D139 PolarHBondContact NE2-O 2.75Å; Q97-V141 HydrophobicContact CG-CG2 4.42Å; Q97-M170 CarbonylContact O-C 3.58Å; Q97-M170 WeakPolarHBondContact O-CA 3.35Å; Q97-R171 HydrophobicContact CB-CB 4.14Å; Q97-R171 VanDerWaalsContact CD-CZ 3.45Å; Q97-R171 VanDerWaalsContact CD-NH2 3.35Å; Q97-R171 PolarHBondContact N-O 3.31Å; Q97-R171 PolarHBondContact O-N 3.26Å
98	G	97.3	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.			trans	-77	179.2	178.3	0	0	0	0	0	113.4	Y100 A138 R171	G98-Y100 PolarHBondContact O-N 3.31Å; G98-A138 CarbonylContact C-O 3.56Å; G98-A138 PolarHBondContact N-O 2.77Å; G98-R171 PolarHBondContact O-NE 2.62Å; G98-R171 PolarHBondContact O-NH2 3.13Å
99	G	96.4	Very high	96.1	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	14%	0.143	C	C	.	.			trans	-67.2	124	173.3	0	0	0	0	0	111.3	G101 S102 D104 A138	G99-G101 PolarHBondContact O-N 2.82Å; G99-S102 PolarHBondContact O-N 2.99Å; G99-S102 PolarHBondContact O-OG 3.34Å; G99-D104 PolarHBondContact N-O 3.12Å; G99-A138 WeakPolarHBondContact O-CB 3.38Å
100	Y	95.9	Very high	95.9	Very high	83 Å²	83	23.7 Å²	23.7	33%	0.325	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.8	-176.1	176.5	-110	0	0	0	112.4	R64 G68 G98 S102	R64-Y100 HydrophobicContact CB-CD1 3.84Å; R64-Y100 HydrophobicContact CB-CE1 4.11Å; R64-Y100 HydrophobicContact CB-CG 4.27Å; R64-Y100 HydrophobicContact CG-CD1 3.78Å; R64-Y100 HydrophobicContact CG-CD2 4.02Å; R64-Y100 HydrophobicContact CG-CE1 3.94Å; R64-Y100 HydrophobicContact CG-CE2 4.19Å; R64-Y100 HydrophobicContact CG-CG 3.83Å; R64-Y100 PolarHBondContact NH1-OH 3.03Å; G68-Y100 PolarHBondContact O-N 3.08Å; G98-Y100 PolarHBondContact O-N 3.31Å; Y100-S102 PolarHBondContact O-N 3.16Å
101	G	93.1	Very high	95.9	Very high	69 Å²	69	21 Å²	21	71%	0.711	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	14.4	175.4	0	0	0	0	0	114.9	G99	G99-G101 PolarHBondContact O-N 2.82Å
102	S	93.6	Very high	95.8	Very high	39 Å²	39	22.6 Å²	22.6	27%	0.273	14%	0.139	S	C	.	.	S	Bend	trans	-123.5	177.6	179	82.6	0	0	0	0	112.8	G99 Y100 D104 A138	G99-S102 PolarHBondContact O-N 2.99Å; G99-S102 PolarHBondContact O-OG 3.34Å; Y100-S102 PolarHBondContact O-N 3.16Å; S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 WeakPolarHBondContact CB-OD2 3.43Å; S102-D104 VanDerWaalsContact OG-CB 3.25Å; S102-D104 WeakPolarHBondContact OG-CB 3.48Å; S102-D104 VanDerWaalsContact OG-CG 3.25Å; S102-D104 PolarHBondContact OG-N 3.27Å; S102-D104 PolarHBondContact OG-OD2 3.39Å; S102-A138 WeakPolarHBondContact O-CB 3.35Å
103	S	95.8	Very high	95.7	Very high	50 Å²	50	23.5 Å²	23.5	35%	0.35	14%	0.142	S	C	.	.	S	Bend	trans	-89.9	13.1	168.7	56.7	0	0	0	0	112.8	W105 N163 R165	S103-W105 VanDerWaalsContact CA-CZ3 3.49Å; S103-W105 VanDerWaalsContact O-CE3 3.28Å; S103-W105 WeakPolarHBondContact O-CZ3 3.27Å; S103-N163 WeakPolarHBondContact O-CB 3.28Å; S103-N163 PolarHBondContact O-ND2 2.97Å; S103-R165 PolarHBondContact OG-O 2.73Å; S103-R165 VanDerWaalsContact OG-O 3.11Å
104	D	96.9	Very high	95.6	Very high	26 Å²	26	23.7 Å²	23.7	14%	0.139	14%	0.144	C	C	.	.			trans	-97.4	107	-170.4	-48.6	-44.9	0	0	0	111	G99 S102 R167	G99-D104 PolarHBondContact N-O 3.12Å; S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 WeakPolarHBondContact CB-OD2 3.43Å; S102-D104 VanDerWaalsContact OG-CB 3.25Å; S102-D104 WeakPolarHBondContact OG-CB 3.48Å; S102-D104 VanDerWaalsContact OG-CG 3.25Å; S102-D104 PolarHBondContact OG-N 3.27Å; S102-D104 PolarHBondContact OG-OD2 3.39Å; D104-R167 VanDerWaalsContact CA-O 3.27Å; D104-R167 WeakPolarHBondContact CA-O 3.49Å; D104-R167 HydrophobicContact CB-CB 4.35Å; D104-R167 WeakPolarHBondContact CB-O 3.33Å; D104-R167 WeakPolarHBondContact OD1-CA 3.43Å; D104-R167 WeakPolarHBondContact OD1-CB 3.37Å; D104-R167 PolarHBondContact OD1-N 2.86Å
105	W	97.9	Very high	95.2	Very high	42 Å²	42	25.5 Å²	25.5	16%	0.159	15%	0.154	C	C	.	.			trans	-152.7	148.4	174.4	63.5	84.7	0	0	0	111.8	S103 N135 T136 A138 W162 N163 R167 G169	S103-W105 VanDerWaalsContact CA-CZ3 3.49Å; S103-W105 VanDerWaalsContact O-CE3 3.28Å; S103-W105 WeakPolarHBondContact O-CZ3 3.27Å; W105-N135 HydrophobicContact CB-CB 4.2Å; W105-N135 VanDerWaalsContact CD1-O 3.25Å; W105-N135 HydrophobicContact CG-CB 4.47Å; W105-T136 WeakPolarHBondContact CZ2-O 3.21Å; W105-T136 PolarHBondContact NE1-O 2.9Å; W105-A138 HydrophobicContact CE3-CB 4.31Å; W105-W162 VanDerWaalsContact O-CA 3.25Å; W105-W162 WeakPolarHBondContact O-CA 3.16Å; W105-W162 WeakPolarHBondContact O-CB 3.44Å; W105-N163 HydrophobicContact CD2-CB 3.87Å; W105-N163 VanDerWaalsContact CE2-CB 3.5Å; W105-N163 HydrophobicContact CE3-CB 4.42Å; W105-N163 HydrophobicContact CG-CB 4.32Å; W105-N163 HydrophobicContact CH2-CB 4.31Å; W105-N163 WeakPolarHBondContact CH2-ND2 3.45Å; W105-N163 HydrophobicContact CZ2-CB 3.72Å; W105-N163 VanDerWaalsContact CZ2-ND2 3.28Å; W105-N163 WeakPolarHBondContact CZ2-ND2 3.3Å; W105-N163 PolarHBondContact O-N 2.68Å; W105-R167 PolarHBondContact N-O 3.26Å; W105-G169 WeakPolarHBondContact CA-O 3.46Å
106	V	97.6	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.2	177.8	172.8	0	0	0	0	109.5	S108 G134 N135 P159 A161 I168 M170	V106-S108 WeakPolarHBondContact CG1-O 3.16Å; V106-G134 CarbonylContact O-C 3.28Å; V106-G134 WeakPolarHBondContact O-CA 3.29Å; V106-N135 PolarHBondContact O-N 3.21Å; V106-P159 HydrophobicContact CG1-CB 4.04Å; V106-P159 HydrophobicContact CG2-CB 3.82Å; V106-P159 HydrophobicContact CG2-CG 3.97Å; V106-A161 CarbonylContact C-O 3.49Å; V106-A161 WeakPolarHBondContact CG1-O 3.31Å; V106-I168 HydrophobicContact CG2-CB 4.47Å; V106-I168 HydrophobicContact CG2-CG2 3.84Å; V106-M170 HydrophobicContact CB-CE 4.32Å; V106-M170 HydrophobicContact CB-CG 4.1Å; V106-M170 HydrophobicContact CB-SD 4.23Å; V106-M170 HydrophobicContact CG1-CE 4.43Å; V106-M170 HydrophobicContact CG2-CE 4.43Å; V106-M170 HydrophobicContact CG2-CG 3.46Å; V106-M170 VanDerWaalsContact CG2-CG 3.46Å; V106-M170 HydrophobicContact CG2-SD 3.7Å
107	T	95.3	Very high	94.3	Very high	53 Å²	53	27.3 Å²	27.3	33%	0.325	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-19.5	-179	57.8	0	0	0	0	112.5	G134 N135 A161 W162	T107-G134 WeakPolarHBondContact O-CA 3.39Å; T107-G134 PolarHBondContact O-N 3.1Å; T107-N135 WeakPolarHBondContact CG2-O 3.34Å; T107-A161 PolarHBondContact N-O 2.8Å; T107-A161 WeakPolarHBondContact OG1-CB 3.01Å; T107-A161 PolarHBondContact OG1-O 3.23Å; T107-W162 PolarHBondContact OG1-N 2.86Å
108	S	93.4	Very high	93.7	Very high	28 Å²	28	35.4 Å²	35.4	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	150.6	170	62.2	0	0	0	0	112	V106 F132 L160 A161	V106-S108 WeakPolarHBondContact CG1-O 3.16Å; S108-F132 WeakPolarHBondContact CA-O 3.17Å; S108-F132 WeakPolarHBondContact CB-O 3.43Å; S108-L160 PolarHBondContact O-N 3.12Å; S108-A161 PolarHBondContact N-O 3.21Å; S108-A161 PolarHBondContact O-N 2.85Å; S108-A161 WeakPolarHBondContact OG-CB 3.42Å; S108-A161 PolarHBondContact OG-N 3.5Å
109	Y	93.8	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.3	-177	62.9	-85.1	0	0	0	113	T96 F132 P133 F157 L158	T96-Y109 HydrophobicContact CG2-CD1 4.29Å; T96-Y109 HydrophobicContact CG2-CE1 3.61Å; T96-Y109 HydrophobicContact CG2-CE2 4.43Å; Y109-F132 HydrophobicContact CD1-CB 4.12Å; Y109-F132 HydrophobicContact CD2-CB 4.04Å; Y109-F132 HydrophobicContact CE1-CB 3.71Å; Y109-F132 HydrophobicContact CE2-CB 3.63Å; Y109-F132 HydrophobicContact CE2-CD2 4.21Å; Y109-F132 AromaticContact CE2-CG 3.91Å; Y109-F132 HydrophobicContact CE2-CG 3.91Å; Y109-F132 HydrophobicContact CG-CB 4.27Å; Y109-F132 VanDerWaalsContact CZ-CB 3.44Å; Y109-F132 PolarHBondContact N-O 2.9Å; Y109-F132 PolarHBondContact O-N 2.89Å; Y109-P133 WeakPolarHBondContact CE1-O 3.46Å; Y109-F157 AromaticContact CD2-CD1 3.78Å; Y109-F157 HydrophobicContact CD2-CD1 3.78Å; Y109-F157 AromaticContact CE2-CD1 3.67Å; Y109-F157 HydrophobicContact CE2-CD1 3.67Å; Y109-F157 AromaticContact CE2-CE1 3.95Å; Y109-F157 HydrophobicContact CE2-CE1 3.95Å; Y109-L158 CarbonylContact C-O 3.53Å; Y109-L158 WeakPolarHBondContact CA-O 3.29Å; Y109-L158 WeakPolarHBondContact CB-O 3.27Å
110	L	92.3	Very high	92.8	Very high	31 Å²	31	38.1 Å²	38.1	16%	0.162	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145.3	163.7	-59	176.9	0	0	0	110.1	F157 L158 L160	L110-F157 WeakPolarHBondContact O-CA 3.34Å; L110-L158 HydrophobicContact CB-CB 4.21Å; L110-L158 PolarHBondContact N-O 2.79Å; L110-L158 PolarHBondContact O-N 3.33Å; L110-L160 HydrophobicContact CD1-CD1 4.44Å; L110-L160 HydrophobicContact CD1-CD2 4.05Å; L110-L160 HydrophobicContact CD2-CD1 3.62Å; L110-L160 HydrophobicContact CD2-CG 4.46Å; L110-L160 HydrophobicContact CG-CD1 3.62Å; L110-L160 HydrophobicContact CG-CD2 3.93Å; L110-L160 HydrophobicContact CG-CG 3.9Å
111	L	94.8	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.9	170.8	-173.3	65.1	0	0	0	109.3	V94 Y123 F132 L146 F150 L155 F157	V94-L111 HydrophobicContact CG1-CD1 4.43Å; V94-L111 HydrophobicContact CG1-CD2 4.05Å; V94-L111 HydrophobicContact CG2-CD2 4.33Å; L111-Y123 PolarHBondContact O-N 2.51Å; L111-F132 HydrophobicContact CB-CD2 4.01Å; L111-F132 HydrophobicContact CB-CE2 3.53Å; L111-F132 HydrophobicContact CB-CZ 4.1Å; L111-F132 HydrophobicContact CD2-CE2 4.39Å; L111-F132 HydrophobicContact CD2-CZ 4.1Å; L111-L146 HydrophobicContact CD2-CD1 4.47Å; L111-L146 HydrophobicContact CD2-CD2 4Å; L111-F150 HydrophobicContact CD2-CE1 4.23Å; L111-F150 HydrophobicContact CD2-CZ 4.27Å; L111-L155 HydrophobicContact CD1-CD2 4.33Å; L111-F157 HydrophobicContact CD1-CD1 4.1Å; L111-F157 HydrophobicContact CD1-CD2 4.4Å; L111-F157 HydrophobicContact CD1-CE1 3.85Å; L111-F157 HydrophobicContact CD1-CE2 4.16Å; L111-F157 HydrophobicContact CD1-CG 4.36Å; L111-F157 HydrophobicContact CD1-CZ 3.88Å
112	M	94.3	Very high	92.3	Very high	33 Å²	33	36.3 Å²	36.3	16%	0.163	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149	173.8	-54.6	-72.6	-64.1	0	0	109.2	W120 K121 Q122 L155 R156 L158	M112-W120 HydrophobicContact CB-CE3 3.76Å; M112-W120 HydrophobicContact CB-CZ3 4.42Å; M112-W120 HydrophobicContact CE-CB 3.7Å; M112-K121 CarbonylContact C-O 3.59Å; M112-K121 VanDerWaalsContact CA-O 3.29Å; M112-K121 WeakPolarHBondContact CA-O 3.47Å; M112-Q122 HydrophobicContact CE-CB 4.2Å; M112-Q122 WeakPolarHBondContact SD-CA 3.4Å; M112-Q122 HydrophobicContact SD-CB 3.51Å; M112-Q122 VanDerWaalsContact SD-CB 3.51Å; M112-Q122 HydrophobicContact SD-CG 3.84Å; M112-L155 CarbonylContact O-C 3.57Å; M112-L155 WeakPolarHBondContact O-CA 3.49Å; M112-R156 HydrophobicContact CB-CB 4.22Å; M112-R156 PolarHBondContact N-O 3.47Å; M112-R156 PolarHBondContact O-N 3.22Å; M112-L158 HydrophobicContact CB-CD1 4.26Å; M112-L158 HydrophobicContact CG-CD1 3.47Å; M112-L158 VanDerWaalsContact CG-CD1 3.47Å; M112-L158 HydrophobicContact CG-CD2 4.4Å
113	F	94.8	Very high	92.1	Very high	29 Å²	29	35.3 Å²	35.3	13%	0.127	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.4	176.5	65.7	-85.5	0	0	0	112.1	K121 Y123 F150 A152 F154	F113-K121 HydrophobicContact CD1-CB 4.38Å; F113-K121 VanDerWaalsContact CD1-O 3.29Å; F113-K121 WeakPolarHBondContact CD1-O 3.23Å; F113-K121 HydrophobicContact CD2-CB 4.44Å; F113-K121 HydrophobicContact CE1-CB 3.92Å; F113-K121 HydrophobicContact CE1-CD 4.43Å; F113-K121 HydrophobicContact CE1-CG 3.98Å; F113-K121 HydrophobicContact CE2-CB 3.99Å; F113-K121 HydrophobicContact CE2-CD 4.18Å; F113-K121 HydrophobicContact CE2-CG 4.38Å; F113-K121 HydrophobicContact CZ-CB 3.72Å; F113-K121 HydrophobicContact CZ-CD 3.68Å; F113-K121 HydrophobicContact CZ-CG 3.71Å; F113-K121 PolarHBondContact N-O 2.96Å; F113-K121 PolarHBondContact O-N 2.86Å; F113-Y123 HydrophobicContact CE1-CD2 4.34Å; F113-F150 HydrophobicContact CB-CD2 4.04Å; F113-F150 HydrophobicContact CB-CE2 3.36Å; F113-F150 HydrophobicContact CB-CZ 3.99Å; F113-F150 HydrophobicContact CD1-CD2 4.11Å; F113-F150 AromaticContact CD1-CE2 3.95Å; F113-F150 HydrophobicContact CD1-CE2 3.95Å; F113-F150 HydrophobicContact CD1-CZ 4.25Å; F113-F150 AromaticContact CD2-CD2 3.73Å; F113-F150 HydrophobicContact CD2-CD2 3.73Å; F113-F150 AromaticContact CD2-CE2 3.97Å; F113-F150 HydrophobicContact CD2-CE2 3.97Å; F113-F150 HydrophobicContact CE1-CD2 4.49Å; F113-F150 HydrophobicContact CE2-CD2 4.14Å; F113-F150 AromaticContact CG-CD2 3.7Å; F113-F150 HydrophobicContact CG-CD2 3.7Å; F113-F150 AromaticContact CG-CE2 3.51Å; F113-F150 HydrophobicContact CG-CE2 3.51Å; F113-F150 HydrophobicContact CG-CZ 4.2Å; F113-F150 HydrophobicContact CZ-CD2 4.49Å; F113-A152 HydrophobicContact CB-CB 3.86Å; F113-A152 HydrophobicContact CD2-CB 4.09Å; F113-A152 HydrophobicContact CG-CB 4.41Å; F113-F154 CarbonylContact C-O 3.58Å; F113-F154 VanDerWaalsContact CA-O 3.25Å; F113-F154 WeakPolarHBondContact CA-O 3.28Å
114	S	93.6	Very high	91.4	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151	-180	-172.1	0	0	0	0	111.2	G116 G117 N119 R153 F154	S114-G116 PolarHBondContact OG-N 3.44Å; S114-G117 PolarHBondContact OG-N 3.01Å; S114-N119 WeakPolarHBondContact CB-O 3.26Å; S114-N119 PolarHBondContact OG-O 2.88Å; S114-R153 PolarHBondContact O-N 2.89Å; S114-F154 PolarHBondContact N-O 2.64Å; S114-F154 PolarHBondContact O-N 3.35Å
115	D	90	Very high	90.1	Very high	39 Å²	39	43.9 Å²	43.9	21%	0.209	20%	0.201	C	C	.	.	S	Bend	trans	-85.8	-25.4	169.5	-61.6	-44.8	0	0	0	112.7	R88 W272	R88-D115 IonicContact CZ-OD1 3.48Å; R88-D115 IonicContact NE-OD1 2.69Å; R88-D115 PolarHBondContact NE-OD1 3.34Å; R88-D115 IonicContact NE-OD2 2.83Å; R88-D115 IonicContact NH2-OD1 3.76Å; D115-W272 PolarHBondContact OD2-NE1 3.39Å
116	G	87.9	Confident	88.2	Confident	20 Å²	20	48.2 Å²	48.2	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	-122.3	1.8	-173.2	0	0	0	0	0	115.3	S114 R118	S114-G116 PolarHBondContact OG-N 3.44Å; G116-R118 PolarHBondContact O-N 3.1Å
117	G	88.3	Confident	85.7	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	72.5	4	179.9	0	0	0	0	0	114.9	S114 W120 F154	S114-G117 PolarHBondContact OG-N 3.01Å; G117-W120 PolarHBondContact O-NE1 2.96Å; G117-F154 VanDerWaalsContact N-CD2 3.28Å
118	R	84.9	Confident	83.6	Confident	178 Å²	178	56 Å²	56	67%	0.672	26%	0.259	S	S	*	.	S	Bend	trans	-116.7	-51.4	-177.8	-60.9	-180	-176.6	-95.6	-0.2	113	G116 V370	G116-R118 PolarHBondContact O-N 3.1Å; R118-V370 HydrophobicContact CB-CG2 3.9Å
119	N	86.4	Confident	81.8	Confident	18 Å²	18	62 Å²	62	10%	0.096	29%	0.287	C	S	.	.	S	Bend	trans	-90.3	105.9	175.7	-167.2	13.8	0	0	0	109.5	S114 D269 H271 V370	S114-N119 WeakPolarHBondContact CB-O 3.26Å; S114-N119 PolarHBondContact OG-O 2.88Å; N119-D269 PolarHBondContact ND2-O 2.9Å; N119-H271 PolarHBondContact ND2-CE1 3.12Å; N119-H271 VanDerWaalsContact ND2-CE1 3.3Å; N119-H271 PolarHBondContact ND2-NE2 3.48Å; N119-H271 PolarHBondContact OD1-CE1 3.41Å; N119-H271 PolarHBondContact OD1-NE2 2.76Å; N119-V370 HydrophobicContact CB-CG1 3.76Å; N119-V370 HydrophobicContact CB-CG2 4.09Å; N119-V370 WeakPolarHBondContact OD1-CG1 3.5Å
120	W	88.7	Confident	80.3	Confident	41 Å²	41	72.5 Å²	72.5	16%	0.155	33%	0.326	C	S	.	.			trans	-104.2	127.3	-172	-69.2	90.3	0	0	0	111	Q82 M112 G117 F154 R156	Q82-W120 HydrophobicContact CG-CH2 4.01Å; Q82-W120 HydrophobicContact CG-CZ2 4.5Å; M112-W120 HydrophobicContact CB-CE3 3.76Å; M112-W120 HydrophobicContact CB-CZ3 4.42Å; M112-W120 HydrophobicContact CE-CB 3.7Å; G117-W120 PolarHBondContact O-NE1 2.96Å; W120-F154 HydrophobicContact CH2-CB 3.65Å; W120-F154 HydrophobicContact CZ2-CB 4.37Å; W120-F154 HydrophobicContact CZ3-CB 4.12Å; W120-R156 VanDerWaalsContact CE2-CZ 3.46Å; W120-R156 HydrophobicContact CE3-CB 4.01Å; W120-R156 HydrophobicContact CH2-CB 3.65Å; W120-R156 HydrophobicContact CZ2-CB 4.45Å; W120-R156 VanDerWaalsContact CZ2-NH2 3.28Å; W120-R156 HydrophobicContact CZ3-CB 3.41Å; W120-R156 VanDerWaalsContact CZ3-CB 3.41Å
121	K	88.2	Confident	79.7	Confident	65 Å²	65	71.5 Å²	71.5	28%	0.283	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.9	172.1	-167.3	162.9	179	172.2	0	109.6	M112 F113 H271	M112-K121 CarbonylContact C-O 3.59Å; M112-K121 VanDerWaalsContact CA-O 3.29Å; M112-K121 WeakPolarHBondContact CA-O 3.47Å; F113-K121 HydrophobicContact CD1-CB 4.38Å; F113-K121 VanDerWaalsContact CD1-O 3.29Å; F113-K121 WeakPolarHBondContact CD1-O 3.23Å; F113-K121 HydrophobicContact CD2-CB 4.44Å; F113-K121 HydrophobicContact CE1-CB 3.92Å; F113-K121 HydrophobicContact CE1-CD 4.43Å; F113-K121 HydrophobicContact CE1-CG 3.98Å; F113-K121 HydrophobicContact CE2-CB 3.99Å; F113-K121 HydrophobicContact CE2-CD 4.18Å; F113-K121 HydrophobicContact CE2-CG 4.38Å; F113-K121 HydrophobicContact CZ-CB 3.72Å; F113-K121 HydrophobicContact CZ-CD 3.68Å; F113-K121 HydrophobicContact CZ-CG 3.71Å; F113-K121 PolarHBondContact N-O 2.96Å; F113-K121 PolarHBondContact O-N 2.86Å; K121-H271 HydrophobicContact CD-CB 4.45Å
122	Q	89.1	Confident	79.5	Confident	49 Å²	49	71.8 Å²	71.8	23%	0.229	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.5	171.9	-173.4	-174.3	-17.2	0	0	109.2	M112 R124	M112-Q122 HydrophobicContact CE-CB 4.2Å; M112-Q122 WeakPolarHBondContact SD-CA 3.4Å; M112-Q122 HydrophobicContact SD-CB 3.51Å; M112-Q122 VanDerWaalsContact SD-CB 3.51Å; M112-Q122 HydrophobicContact SD-CG 3.84Å; Q122-R124 HydrophobicContact CG-CG 4.29Å; Q122-R124 PolarHBondContact O-N 3.39Å
123	Y	89.8	Confident	79.4	Confident	17 Å²	17	73.3 Å²	73.3	7%	0.067	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-74.9	118.4	164.8	-170.9	-82.3	0	0	0	108.9	L111 F113 F132 L146 Q147 P148 F150	L111-Y123 PolarHBondContact O-N 2.51Å; F113-Y123 HydrophobicContact CE1-CD2 4.34Å; Y123-F132 HydrophobicContact CD1-CE1 4.47Å; Y123-F132 AromaticContact CD1-CE2 3.95Å; Y123-F132 HydrophobicContact CD1-CE2 3.95Å; Y123-F132 AromaticContact CD1-CZ 3.38Å; Y123-F132 HydrophobicContact CD1-CZ 3.38Å; Y123-F132 AromaticContact CE1-CZ 3.82Å; Y123-F132 HydrophobicContact CE1-CZ 3.82Å; Y123-F132 HydrophobicContact CG-CZ 4.31Å; Y123-L146 HydrophobicContact CD1-CD2 4.01Å; Y123-L146 HydrophobicContact CE1-CD2 3.59Å; Y123-L146 HydrophobicContact CE2-CB 4.46Å; Y123-L146 HydrophobicContact CE2-CD2 4.2Å; Y123-L146 HydrophobicContact CG-CD2 4.41Å; Y123-Q147 PolarHBondContact OH-N 2.85Å; Y123-Q147 PolarHBondContact OH-O 2.78Å; Y123-P148 WeakPolarHBondContact CE2-O 3.41Å; Y123-P148 PolarHBondContact OH-O 2.83Å; Y123-F150 AromaticContact CD2-CD1 3.32Å; Y123-F150 HydrophobicContact CD2-CD1 3.32Å; Y123-F150 AromaticContact CD2-CE1 3.52Å; Y123-F150 HydrophobicContact CD2-CE1 3.52Å; Y123-F150 HydrophobicContact CD2-CG 4.17Å; Y123-F150 AromaticContact CE2-CD1 3.42Å; Y123-F150 HydrophobicContact CE2-CD1 3.42Å; Y123-F150 VanDerWaalsContact CE2-CD1 3.42Å; Y123-F150 AromaticContact CE2-CE1 3.91Å; Y123-F150 HydrophobicContact CE2-CE1 3.91Å; Y123-F150 HydrophobicContact CE2-CG 4.37Å; Y123-F150 HydrophobicContact CG-CD1 4.43Å; Y123-F150 HydrophobicContact CG-CE1 4.23Å
124	R	81.1	Confident	79.3	Confident	159 Å²	159	72.4 Å²	72.4	60%	0.6	34%	0.336	S	S	*	.			trans	-106.2	132.7	-179.1	-67.7	-175.2	178.6	175.5	1.2	110.1	Q122	Q122-R124 HydrophobicContact CG-CG 4.29Å; Q122-R124 PolarHBondContact O-N 3.39Å
125	R	70.2	Confident	79.5	Confident	97 Å²	97	72.3 Å²	72.3	37%	0.366	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-76.4	133.8	170.7	-165	176.4	82.1	-165.4	11.7	108.6	E127 S128 Y144	R125-E127 PolarHBondContact O-N 3.16Å; R125-S128 PolarHBondContact O-N 2.87Å; R125-Y144 VanDerWaalsContact CD-OH 3.27Å; R125-Y144 WeakPolarHBondContact CD-OH 3.12Å
126	E	58.5	Low	79.8	Confident	133 Å²	133	75.6 Å²	75.6	62%	0.621	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	121.6	163.2	-72.4	170.9	-166.7	0	0	106.4	K290	E126-K290 IonicContact OE1-NZ 3.63Å; E126-K290 PolarHBondContact OE1-NZ 3.39Å
127	E	44	Very low	80.2	Confident	198 Å²	198	77.3 Å²	77.3	93%	0.925	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	3.7	-176.9	-44.3	-174.8	166	0	0	119.2	R125	R125-E127 PolarHBondContact O-N 3.16Å
128	S	52.4	Low	80.5	Confident	20 Å²	20	76.7 Å²	76.7	14%	0.14	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-137	117.7	169.2	-178.2	0	0	0	0	115.1	R125 W130	R125-S128 PolarHBondContact O-N 2.87Å; S128-W130 VanDerWaalsContact C-N 3.3Å; S128-W130 PolarHBondContact OG-N 2.85Å
129	I	54	Low	80.9	Confident	153 Å²	153	72.6 Å²	72.6	79%	0.785	35%	0.346	S	S	*	.	S	Bend	trans	-79.7	-17.9	171.3	-53.6	171.3	0	0	0	110.5
130	W	62.2	Low	81.4	Confident	220 Å²	220	73.7 Å²	73.7	83%	0.833	36%	0.355	S	S	*	.	S	Bend	trans	-94.5	5	-164.4	-63.5	107.6	0	0	0	115.8	S128 L160	S128-W130 VanDerWaalsContact C-N 3.3Å; S128-W130 PolarHBondContact OG-N 2.85Å; W130-L160 WeakPolarHBondContact O-CD1 3.24Å
131	G	81.6	Confident	81.8	Confident	11 Å²	11	74.6 Å²	74.6	11%	0.113	37%	0.365	C	S	.	.			trans	93.7	-168.8	177.9	0	0	0	0	0	115
132	F	89.2	Confident	82.3	Confident	5 Å²	5	73.2 Å²	73.2	2%	0.022	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.1	-178.8	-71.7	-102.5	0	0	0	111.2	S108 Y109 L111 Y123 Y144 L146	S108-F132 WeakPolarHBondContact CA-O 3.17Å; S108-F132 WeakPolarHBondContact CB-O 3.43Å; Y109-F132 HydrophobicContact CD1-CB 4.12Å; Y109-F132 HydrophobicContact CD2-CB 4.04Å; Y109-F132 HydrophobicContact CE1-CB 3.71Å; Y109-F132 HydrophobicContact CE2-CB 3.63Å; Y109-F132 HydrophobicContact CE2-CD2 4.21Å; Y109-F132 AromaticContact CE2-CG 3.91Å; Y109-F132 HydrophobicContact CE2-CG 3.91Å; Y109-F132 HydrophobicContact CG-CB 4.27Å; Y109-F132 VanDerWaalsContact CZ-CB 3.44Å; Y109-F132 PolarHBondContact N-O 2.9Å; Y109-F132 PolarHBondContact O-N 2.89Å; L111-F132 HydrophobicContact CB-CD2 4.01Å; L111-F132 HydrophobicContact CB-CE2 3.53Å; L111-F132 HydrophobicContact CB-CZ 4.1Å; L111-F132 HydrophobicContact CD2-CE2 4.39Å; L111-F132 HydrophobicContact CD2-CZ 4.1Å; Y123-F132 HydrophobicContact CD1-CE1 4.47Å; Y123-F132 AromaticContact CD1-CE2 3.95Å; Y123-F132 HydrophobicContact CD1-CE2 3.95Å; Y123-F132 AromaticContact CD1-CZ 3.38Å; Y123-F132 HydrophobicContact CD1-CZ 3.38Å; Y123-F132 AromaticContact CE1-CZ 3.82Å; Y123-F132 HydrophobicContact CE1-CZ 3.82Å; Y123-F132 HydrophobicContact CG-CZ 4.31Å; F132-Y144 AromaticContact CD1-CD1 3.76Å; F132-Y144 HydrophobicContact CD1-CD1 3.76Å; F132-Y144 HydrophobicContact CD1-CD2 4.14Å; F132-Y144 AromaticContact CD1-CE1 3.93Å; F132-Y144 HydrophobicContact CD1-CE1 3.93Å; F132-Y144 HydrophobicContact CD1-CE2 4.28Å; F132-Y144 AromaticContact CD1-CG 3.86Å; F132-Y144 HydrophobicContact CD1-CG 3.86Å; F132-Y144 AromaticContact CE1-CD1 3.42Å; F132-Y144 HydrophobicContact CE1-CD1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CD1 3.42Å; F132-Y144 AromaticContact CE1-CE1 3.42Å; F132-Y144 HydrophobicContact CE1-CE1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CE1 3.42Å; F132-Y144 HydrophobicContact CE1-CG 4.02Å; F132-Y144 HydrophobicContact CZ-CE1 4.48Å; F132-L146 HydrophobicContact CE1-CD2 3.81Å; F132-L146 HydrophobicContact CZ-CD2 3.81Å
133	P	91.5	Very high	82.6	Confident	66 Å²	66	75.6 Å²	75.6	43%	0.429	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134	169.5	30.1	-33.1	0	0	0	109.9	Y109	Y109-P133 WeakPolarHBondContact CE1-O 3.46Å
134	G	93.1	Very high	82.8	Confident	9 Å²	9	77.5 Å²	77.5	9%	0.093	38%	0.38	C	S	.	.			trans	-101.5	-148.7	173.7	0	0	0	0	0	111.8	V106 T107	V106-G134 CarbonylContact O-C 3.28Å; V106-G134 WeakPolarHBondContact O-CA 3.29Å; T107-G134 WeakPolarHBondContact O-CA 3.39Å; T107-G134 PolarHBondContact O-N 3.1Å
135	N	97.4	Very high	83.4	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.011	37%	0.374	C	S	.	.			trans	-88.3	154.9	-170.6	-58.6	88.1	0	0	0	112.9	T96 Q97 W105 V106 T107 N137 S140	T96-N135 WeakPolarHBondContact CB-OD1 3.35Å; T96-N135 PolarHBondContact O-ND2 2.9Å; T96-N135 PolarHBondContact OG1-OD1 2.8Å; Q97-N135 VanDerWaalsContact CA-ND2 3.27Å; Q97-N135 WeakPolarHBondContact CA-ND2 3.21Å; Q97-N135 PolarHBondContact N-OD1 3.37Å; W105-N135 HydrophobicContact CB-CB 4.2Å; W105-N135 VanDerWaalsContact CD1-O 3.25Å; W105-N135 HydrophobicContact CG-CB 4.47Å; V106-N135 PolarHBondContact O-N 3.21Å; T107-N135 WeakPolarHBondContact CG2-O 3.34Å; N135-N137 WeakPolarHBondContact CB-O 3.35Å; N135-S140 PolarHBondContact ND2-O 2.89Å
136	T	96.7	Very high	84.4	Confident	109 Å²	109	71.4 Å²	71.4	67%	0.669	36%	0.358	S	S	*	.	S	Bend	trans	-103.3	-10.5	172	55	0	0	0	0	113	W105	W105-T136 WeakPolarHBondContact CZ2-O 3.21Å; W105-T136 PolarHBondContact NE1-O 2.9Å
137	N	96.1	Very high	85.9	Confident	56 Å²	56	72.1 Å²	72.1	30%	0.299	36%	0.361	S	S	.	.	S	Bend	trans	-157.1	179.8	177.5	62.2	63.3	0	0	0	110.4	N135 D139 S140	N135-N137 WeakPolarHBondContact CB-O 3.35Å; N137-D139 PolarHBondContact OD1-N 3.36Å; N137-S140 PolarHBondContact ND2-OG 3.35Å; N137-S140 WeakPolarHBondContact OD1-CB 3.25Å; N137-S140 PolarHBondContact OD1-N 2.88Å; N137-S140 PolarHBondContact OD1-OG 3.3Å
138	A	94.8	Very high	88	Confident	5 Å²	5	65.1 Å²	65.1	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-71.4	-28.1	-179.4	0	0	0	0	0	115.3	Q97 G98 G99 S102 W105 R171	Q97-A138 WeakPolarHBondContact CG-O 3.49Å; G98-A138 CarbonylContact C-O 3.56Å; G98-A138 PolarHBondContact N-O 2.77Å; G99-A138 WeakPolarHBondContact O-CB 3.38Å; S102-A138 WeakPolarHBondContact O-CB 3.35Å; W105-A138 HydrophobicContact CE3-CB 4.31Å; A138-R171 PolarHBondContact O-NH2 2.81Å
139	D	94.8	Very high	89.9	Confident	91 Å²	91	66.8 Å²	66.8	49%	0.487	34%	0.343	S	S	.	.	S	Bend	trans	-107	-31.7	-162.5	-62.7	-63.1	0	0	0	114.1	Q97 N137	Q97-D139 PolarHBondContact NE2-O 2.75Å; N137-D139 PolarHBondContact OD1-N 3.36Å
140	S	96.1	Very high	91.8	Very high	41 Å²	41	60.2 Å²	60.2	29%	0.287	31%	0.309	S	S	.	.			trans	-71	132.4	-179.3	62.1	0	0	0	0	111.3	N135 N137	N135-S140 PolarHBondContact ND2-O 2.89Å; N137-S140 PolarHBondContact ND2-OG 3.35Å; N137-S140 WeakPolarHBondContact OD1-CB 3.25Å; N137-S140 PolarHBondContact OD1-N 2.88Å; N137-S140 PolarHBondContact OD1-OG 3.3Å
141	V	97.8	Very high	93.3	Very high	61 Å²	61	51.8 Å²	51.8	37%	0.37	28%	0.279	S	S	.	.			trans	-82.3	127.4	171.5	179.3	0	0	0	0	109	L61 A95 Q97	L61-V141 HydrophobicContact CD1-CG1 4.09Å; L61-V141 HydrophobicContact CD1-CG2 4.07Å; L61-V141 HydrophobicContact CD2-CG1 3.96Å; L61-V141 HydrophobicContact CD2-CG2 4.31Å; L61-V141 HydrophobicContact CG-CG2 4.31Å; A95-V141 HydrophobicContact CB-CG1 3.88Å; Q97-V141 HydrophobicContact CG-CG2 4.42Å
142	V	97.3	Very high	93.9	Very high	36 Å²	36	51.2 Å²	51.2	22%	0.218	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112	170.4	175.4	0	0	0	0	107.3	A95 T96	A95-V142 CarbonylContact C-O 3.51Å; A95-V142 WeakPolarHBondContact CA-O 3.24Å; T96-V142 PolarHBondContact N-O 3.26Å; T96-V142 PolarHBondContact O-N 3.39Å
143	H	96.1	Very high	94.2	Very high	98 Å²	98	55 Å²	55	45%	0.454	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.3	-179.7	-179.9	-81.6	0	0	0	109.9	A93 A95 Y175	A93-H143 WeakPolarHBondContact CB-NE2 3.32Å; A95-H143 HydrophobicContact CB-CB 4.39Å; H143-Y175 AromaticContact CD2-CE2 3.58Å; H143-Y175 AromaticContact NE2-CD2 3.76Å; H143-Y175 AromaticContact NE2-CE2 3.79Å
144	Y	93.4	Very high	94.4	Very high	57 Å²	57	52.9 Å²	52.9	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.4	-179.5	-168.3	-81.3	0	0	0	111.1	A93 V94 R125 F132 L146	A93-Y144 VanDerWaalsContact CA-O 3.27Å; A93-Y144 WeakPolarHBondContact CA-O 3.49Å; A93-Y144 VanDerWaalsContact CB-O 3.29Å; A93-Y144 WeakPolarHBondContact CB-O 3.5Å; V94-Y144 PolarHBondContact N-O 2.84Å; V94-Y144 PolarHBondContact O-N 2.88Å; R125-Y144 VanDerWaalsContact CD-OH 3.27Å; R125-Y144 WeakPolarHBondContact CD-OH 3.12Å; F132-Y144 AromaticContact CD1-CD1 3.76Å; F132-Y144 HydrophobicContact CD1-CD1 3.76Å; F132-Y144 HydrophobicContact CD1-CD2 4.14Å; F132-Y144 AromaticContact CD1-CE1 3.93Å; F132-Y144 HydrophobicContact CD1-CE1 3.93Å; F132-Y144 HydrophobicContact CD1-CE2 4.28Å; F132-Y144 AromaticContact CD1-CG 3.86Å; F132-Y144 HydrophobicContact CD1-CG 3.86Å; F132-Y144 AromaticContact CE1-CD1 3.42Å; F132-Y144 HydrophobicContact CE1-CD1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CD1 3.42Å; F132-Y144 AromaticContact CE1-CE1 3.42Å; F132-Y144 HydrophobicContact CE1-CE1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CE1 3.42Å; F132-Y144 HydrophobicContact CE1-CG 4.02Å; F132-Y144 HydrophobicContact CZ-CE1 4.48Å; Y144-L146 HydrophobicContact CD1-CD2 4.16Å; Y144-L146 HydrophobicContact CE1-CD2 4.35Å
145	R	93.3	Very high	94.7	Very high	125 Å²	125	52.4 Å²	52.4	47%	0.472	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.3	174.1	-166.6	170.1	-169.1	112.4	8.1	109.8	D32	D32-R145 IonicContact OD1-NH2 3Å; D32-R145 IonicContact OD2-CZ 2.63Å; D32-R145 VanDerWaalsContact OD2-CZ 3.27Å; D32-R145 IonicContact OD2-NH1 3.77Å; D32-R145 PolarHBondContact OD2-NH1 3.23Å; D32-R145 IonicContact OD2-NH2 3.27Å; D32-R145 PolarHBondContact OD2-NH2 3.47Å
146	L	92.4	Very high	94.7	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.9	-178.7	-63.6	161	0	0	0	109.1	V91 T92 V94 L111 Y123 F132 Y144 P148 F150	V91-L146 HydrophobicContact CG1-CD1 3.68Å; T92-L146 WeakPolarHBondContact O-CB 3.29Å; T92-L146 PolarHBondContact O-N 2.8Å; V94-L146 HydrophobicContact CG1-CD1 4.25Å; L111-L146 HydrophobicContact CD2-CD1 4.47Å; L111-L146 HydrophobicContact CD2-CD2 4Å; Y123-L146 HydrophobicContact CD1-CD2 4.01Å; Y123-L146 HydrophobicContact CE1-CD2 3.59Å; Y123-L146 HydrophobicContact CE2-CB 4.46Å; Y123-L146 HydrophobicContact CE2-CD2 4.2Å; Y123-L146 HydrophobicContact CG-CD2 4.41Å; F132-L146 HydrophobicContact CE1-CD2 3.81Å; F132-L146 HydrophobicContact CZ-CD2 3.81Å; Y144-L146 HydrophobicContact CD1-CD2 4.16Å; Y144-L146 HydrophobicContact CE1-CD2 4.35Å; L146-P148 CarbonylContact C-O 3.05Å; L146-P148 CarbonylContact O-C 3.59Å; L146-F150 HydrophobicContact CD1-CD1 4.15Å; L146-F150 HydrophobicContact CD1-CE1 3.52Å; L146-F150 HydrophobicContact CD1-CZ 4.38Å; L146-F150 HydrophobicContact CD2-CE1 4.4Å; L146-F150 HydrophobicContact CG-CE1 4.47Å
147	Q	89.4	Confident	94.7	Very high	147 Å²	147	49.5 Å²	49.5	69%	0.687	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	108	177.6	-69.4	-174.2	-7	0	0	108.8	Y123	Y123-Q147 PolarHBondContact OH-N 2.85Å; Y123-Q147 PolarHBondContact OH-O 2.78Å
148	P	88.8	Confident	94.7	Very high	52 Å²	52	48.8 Å²	48.8	34%	0.338	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.1	164	-2.1	36	-41.5	0	0	0	112.5	Y123 L146 K290	Y123-P148 WeakPolarHBondContact CE2-O 3.41Å; Y123-P148 PolarHBondContact OH-O 2.83Å; L146-P148 CarbonylContact C-O 3.05Å; L146-P148 CarbonylContact O-C 3.59Å; P148-K290 VanDerWaalsContact CD-CE 3.49Å
149	P	92.7	Very high	94.7	Very high	55 Å²	55	48.6 Å²	48.6	36%	0.357	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	165.4	160.8	30.7	-35.7	0	0	0	110.7	E90 V91 T92	E90-P149 HydrophobicContact CG-CB 4.36Å; V91-P149 VanDerWaalsContact O-CA 3.29Å; V91-P149 WeakPolarHBondContact O-CA 3.43Å; V91-P149 VanDerWaalsContact O-CB 3.28Å; V91-P149 WeakPolarHBondContact O-CB 3.32Å; T92-P149 HydrophobicContact CG2-CB 4.21Å
150	F	92.6	Very high	94.5	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.066	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.8	177.1	66	-90	0	0	0	111.1	V91 L111 F113 Y123 L146 A152 L155	V91-F150 HydrophobicContact CB-CE1 4.31Å; V91-F150 HydrophobicContact CB-CE2 4.19Å; V91-F150 HydrophobicContact CB-CZ 4.08Å; V91-F150 HydrophobicContact CG1-CE1 4.3Å; V91-F150 HydrophobicContact CG1-CZ 4.14Å; V91-F150 HydrophobicContact CG2-CE2 4.22Å; V91-F150 HydrophobicContact CG2-CZ 4.46Å; V91-F150 PolarHBondContact N-O 2.76Å; V91-F150 PolarHBondContact O-N 2.85Å; L111-F150 HydrophobicContact CD2-CE1 4.23Å; L111-F150 HydrophobicContact CD2-CZ 4.27Å; F113-F150 HydrophobicContact CB-CD2 4.04Å; F113-F150 HydrophobicContact CB-CE2 3.36Å; F113-F150 HydrophobicContact CB-CZ 3.99Å; F113-F150 HydrophobicContact CD1-CD2 4.11Å; F113-F150 AromaticContact CD1-CE2 3.95Å; F113-F150 HydrophobicContact CD1-CE2 3.95Å; F113-F150 HydrophobicContact CD1-CZ 4.25Å; F113-F150 AromaticContact CD2-CD2 3.73Å; F113-F150 HydrophobicContact CD2-CD2 3.73Å; F113-F150 AromaticContact CD2-CE2 3.97Å; F113-F150 HydrophobicContact CD2-CE2 3.97Å; F113-F150 HydrophobicContact CE1-CD2 4.49Å; F113-F150 HydrophobicContact CE2-CD2 4.14Å; F113-F150 AromaticContact CG-CD2 3.7Å; F113-F150 HydrophobicContact CG-CD2 3.7Å; F113-F150 AromaticContact CG-CE2 3.51Å; F113-F150 HydrophobicContact CG-CE2 3.51Å; F113-F150 HydrophobicContact CG-CZ 4.2Å; F113-F150 HydrophobicContact CZ-CD2 4.49Å; Y123-F150 AromaticContact CD2-CD1 3.32Å; Y123-F150 HydrophobicContact CD2-CD1 3.32Å; Y123-F150 AromaticContact CD2-CE1 3.52Å; Y123-F150 HydrophobicContact CD2-CE1 3.52Å; Y123-F150 HydrophobicContact CD2-CG 4.17Å; Y123-F150 AromaticContact CE2-CD1 3.42Å; Y123-F150 HydrophobicContact CE2-CD1 3.42Å; Y123-F150 VanDerWaalsContact CE2-CD1 3.42Å; Y123-F150 AromaticContact CE2-CE1 3.91Å; Y123-F150 HydrophobicContact CE2-CE1 3.91Å; Y123-F150 HydrophobicContact CE2-CG 4.37Å; Y123-F150 HydrophobicContact CG-CD1 4.43Å; Y123-F150 HydrophobicContact CG-CE1 4.23Å; L146-F150 HydrophobicContact CD1-CD1 4.15Å; L146-F150 HydrophobicContact CD1-CE1 3.52Å; L146-F150 HydrophobicContact CD1-CZ 4.38Å; L146-F150 HydrophobicContact CD2-CE1 4.4Å; L146-F150 HydrophobicContact CG-CE1 4.47Å; F150-A152 HydrophobicContact CD2-CB 3.88Å; F150-A152 HydrophobicContact CE2-CB 3.69Å; F150-L155 HydrophobicContact CZ-CD2 4.03Å; F150-L155 HydrophobicContact CZ-CG 4.48Å
151	E	93.7	Very high	94.3	Very high	42 Å²	42	47.1 Å²	47.1	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	176.8	-48	83.7	179.9	0	0	111.5	R88 M89 Y179 K211	R88-E151 HydrophobicContact CG-CB 4.32Å; R88-E151 IonicContact NH2-OE2 3.07Å; M89-E151 VanDerWaalsContact O-CA 3.27Å; M89-E151 WeakPolarHBondContact O-CA 3.28Å; E151-Y179 HydrophobicContact CB-CD1 4.3Å; E151-Y179 HydrophobicContact CB-CE1 4.4Å; E151-Y179 HydrophobicContact CB-CG 4.44Å; E151-Y179 HydrophobicContact CG-CD1 4.05Å; E151-Y179 HydrophobicContact CG-CD2 3.71Å; E151-Y179 HydrophobicContact CG-CE1 4.04Å; E151-Y179 HydrophobicContact CG-CE2 3.7Å; E151-Y179 HydrophobicContact CG-CG 3.87Å; E151-K211 IonicContact OE1-NZ 3.97Å; E151-K211 PolarHBondContact OE1-NZ 2.89Å; E151-K211 IonicContact OE2-NZ 3.5Å; E151-K211 PolarHBondContact OE2-NZ 2.75Å
152	A	95.3	Very high	94.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	160.3	178.1	0	0	0	0	0	111.4	M89 F113 F150	M89-A152 PolarHBondContact N-O 3.14Å; M89-A152 PolarHBondContact O-N 3.41Å; F113-A152 HydrophobicContact CB-CB 3.86Å; F113-A152 HydrophobicContact CD2-CB 4.09Å; F113-A152 HydrophobicContact CG-CB 4.41Å; F150-A152 HydrophobicContact CD2-CB 3.88Å; F150-A152 HydrophobicContact CE2-CB 3.69Å
153	R	94.6	Very high	94.2	Very high	84 Å²	84	46.3 Å²	46.3	32%	0.317	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-38.8	168.2	174.2	175.7	164.3	170.5	0.3	112	D84 L85 G86 E87 S114	D84-R153 VanDerWaalsContact OD1-CG 3.28Å; D84-R153 WeakPolarHBondContact OD1-CG 3.44Å; D84-R153 IonicContact OD1-CZ 2.93Å; D84-R153 IonicContact OD1-NE 3.42Å; D84-R153 PolarHBondContact OD1-NE 3.33Å; D84-R153 IonicContact OD1-NH2 4Å; D84-R153 PolarHBondContact OD1-NH2 2.74Å; D84-R153 IonicContact OD2-CZ 3.71Å; D84-R153 IonicContact OD2-NE 3.74Å; D84-R153 IonicContact OD2-NH2 2.76Å; D84-R153 PolarHBondContact OD2-NH2 2.8Å; L85-R153 VanDerWaalsContact CB-O 3.31Å; L85-R153 WeakPolarHBondContact CB-O 3.34Å; L85-R153 WeakPolarHBondContact CG-O 3.25Å; L85-R153 PolarHBondContact N-O 3.49Å; G86-R153 WeakPolarHBondContact O-CD 3.48Å; G86-R153 PolarHBondContact O-NE 3Å; G86-R153 VanDerWaalsContact O-NE 3.16Å; G86-R153 PolarHBondContact O-NH1 2.82Å; E87-R153 WeakPolarHBondContact O-CA 3.31Å; S114-R153 PolarHBondContact O-N 2.89Å
154	F	97.1	Very high	94	Very high	21 Å²	21	47.7 Å²	47.7	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137	-176.8	-59.7	-91.8	0	0	0	110.7	I83 D84 F113 S114 G117 W120	I83-F154 WeakPolarHBondContact O-CA 3.33Å; D84-F154 HydrophobicContact CB-CD1 3.72Å; D84-F154 HydrophobicContact CB-CE1 3.52Å; D84-F154 HydrophobicContact CB-CZ 4.46Å; D84-F154 WeakPolarHBondContact OD2-CE1 3.36Å; F113-F154 CarbonylContact C-O 3.58Å; F113-F154 VanDerWaalsContact CA-O 3.25Å; F113-F154 WeakPolarHBondContact CA-O 3.28Å; S114-F154 PolarHBondContact N-O 2.64Å; S114-F154 PolarHBondContact O-N 3.35Å; G117-F154 VanDerWaalsContact N-CD2 3.28Å; W120-F154 HydrophobicContact CH2-CB 3.65Å; W120-F154 HydrophobicContact CZ2-CB 4.37Å; W120-F154 HydrophobicContact CZ3-CB 4.12Å
155	L	97.9	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.7	170.6	-64.7	82.2	0	0	0	109.4	Q82 I83 L85 V91 V94 L111 M112 F150 F157 V174	Q82-L155 CarbonylContact C-O 3.5Å; Q82-L155 VanDerWaalsContact CA-O 3.28Å; Q82-L155 WeakPolarHBondContact CA-O 3.14Å; Q82-L155 WeakPolarHBondContact CG-O 3.34Å; I83-L155 HydrophobicContact CG2-CB 3.73Å; I83-L155 HydrophobicContact CG2-CD1 4.36Å; I83-L155 PolarHBondContact N-O 2.96Å; I83-L155 PolarHBondContact O-N 2.92Å; L85-L155 HydrophobicContact CD1-CD1 3.52Å; L85-L155 HydrophobicContact CD2-CD1 4.48Å; L85-L155 HydrophobicContact CG-CD1 3.92Å; V91-L155 HydrophobicContact CG1-CD2 4.08Å; V91-L155 HydrophobicContact CG2-CD1 4.2Å; V91-L155 HydrophobicContact CG2-CD2 4.34Å; V94-L155 HydrophobicContact CG1-CD2 4.28Å; L111-L155 HydrophobicContact CD1-CD2 4.33Å; M112-L155 CarbonylContact O-C 3.57Å; M112-L155 WeakPolarHBondContact O-CA 3.49Å; F150-L155 HydrophobicContact CZ-CD2 4.03Å; F150-L155 HydrophobicContact CZ-CG 4.48Å; L155-F157 HydrophobicContact CB-CE2 4.42Å; L155-V174 HydrophobicContact CD1-CG1 4.46Å; L155-V174 HydrophobicContact CD2-CG1 3.9Å; L155-V174 HydrophobicContact CD2-CG2 4.12Å
156	R	97.1	Very high	94	Very high	50 Å²	50	50.5 Å²	50.5	19%	0.189	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	125.5	178.1	-172.7	-171.1	-74.5	178.1	-4.9	110.3	W80 L81 Q82 M112 W120 L158	W80-R156 HydrophobicContact CB-CG 3.72Å; W80-R156 HydrophobicContact CD2-CG 4.4Å; W80-R156 HydrophobicContact CE3-CG 4.19Å; W80-R156 HydrophobicContact CG-CG 4.25Å; L81-R156 CarbonylContact O-C 3.5Å; L81-R156 VanDerWaalsContact O-CA 3.29Å; L81-R156 WeakPolarHBondContact O-CA 3.27Å; Q82-R156 HydrophobicContact CB-CB 4.42Å; Q82-R156 HydrophobicContact CB-CG 4.29Å; Q82-R156 VanDerWaalsContact OE1-NE 3.16Å; M112-R156 HydrophobicContact CB-CB 4.22Å; M112-R156 PolarHBondContact N-O 3.47Å; M112-R156 PolarHBondContact O-N 3.22Å; W120-R156 VanDerWaalsContact CE2-CZ 3.46Å; W120-R156 HydrophobicContact CE3-CB 4.01Å; W120-R156 HydrophobicContact CH2-CB 3.65Å; W120-R156 HydrophobicContact CZ2-CB 4.45Å; W120-R156 VanDerWaalsContact CZ2-NH2 3.28Å; W120-R156 HydrophobicContact CZ3-CB 3.41Å; W120-R156 VanDerWaalsContact CZ3-CB 3.41Å; R156-L158 HydrophobicContact CB-CD1 4.24Å; R156-L158 HydrophobicContact CG-CD1 3.68Å
157	F	97.4	Very high	94.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122	177.3	-63.2	-103.5	0	0	0	108.4	W80 L81 V94 T96 Y109 L110 L111 L155 M170 I172 V174	W80-F157 WeakPolarHBondContact CA-O 3.18Å; L81-F157 PolarHBondContact N-O 2.75Å; L81-F157 PolarHBondContact O-N 2.88Å; V94-F157 HydrophobicContact CB-CE1 4.11Å; V94-F157 HydrophobicContact CB-CZ 4.11Å; V94-F157 HydrophobicContact CG1-CE1 4.32Å; V94-F157 HydrophobicContact CG1-CZ 3.95Å; V94-F157 HydrophobicContact CG2-CE1 4.42Å; T96-F157 HydrophobicContact CG2-CD1 4.34Å; T96-F157 HydrophobicContact CG2-CE1 4.23Å; Y109-F157 AromaticContact CD2-CD1 3.78Å; Y109-F157 HydrophobicContact CD2-CD1 3.78Å; Y109-F157 AromaticContact CE2-CD1 3.67Å; Y109-F157 HydrophobicContact CE2-CD1 3.67Å; Y109-F157 AromaticContact CE2-CE1 3.95Å; Y109-F157 HydrophobicContact CE2-CE1 3.95Å; L110-F157 WeakPolarHBondContact O-CA 3.34Å; L111-F157 HydrophobicContact CD1-CD1 4.1Å; L111-F157 HydrophobicContact CD1-CD2 4.4Å; L111-F157 HydrophobicContact CD1-CE1 3.85Å; L111-F157 HydrophobicContact CD1-CE2 4.16Å; L111-F157 HydrophobicContact CD1-CG 4.36Å; L111-F157 HydrophobicContact CD1-CZ 3.88Å; L155-F157 HydrophobicContact CB-CE2 4.42Å; F157-M170 HydrophobicContact CB-CE 4.2Å; F157-M170 HydrophobicContact CD1-CE 4.42Å; F157-I172 HydrophobicContact CD1-CG2 4.34Å; F157-I172 HydrophobicContact CD2-CD1 3.86Å; F157-I172 HydrophobicContact CD2-CG2 4.42Å; F157-I172 HydrophobicContact CE1-CG2 4.32Å; F157-I172 HydrophobicContact CE2-CB 4.47Å; F157-I172 HydrophobicContact CE2-CD1 3.61Å; F157-I172 HydrophobicContact CE2-CG2 4.43Å; F157-I172 HydrophobicContact CG-CG2 4.4Å; F157-I172 HydrophobicContact CZ-CB 4.4Å; F157-I172 HydrophobicContact CZ-CD1 4.33Å; F157-I172 HydrophobicContact CZ-CG2 4.37Å; F157-V174 HydrophobicContact CZ-CG2 4.42Å
158	L	95.2	Very high	94.5	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.8	-179.9	-71.5	70.7	0	0	0	108.4	W80 Y109 L110 M112 R156 L160	W80-L158 HydrophobicContact CB-CD1 4.47Å; W80-L158 HydrophobicContact CB-CG 4.2Å; Y109-L158 CarbonylContact C-O 3.53Å; Y109-L158 WeakPolarHBondContact CA-O 3.29Å; Y109-L158 WeakPolarHBondContact CB-O 3.27Å; L110-L158 HydrophobicContact CB-CB 4.21Å; L110-L158 PolarHBondContact N-O 2.79Å; L110-L158 PolarHBondContact O-N 3.33Å; M112-L158 HydrophobicContact CB-CD1 4.26Å; M112-L158 HydrophobicContact CG-CD1 3.47Å; M112-L158 VanDerWaalsContact CG-CD1 3.47Å; M112-L158 HydrophobicContact CG-CD2 4.4Å; R156-L158 HydrophobicContact CB-CD1 4.24Å; R156-L158 HydrophobicContact CG-CD1 3.68Å; L158-L160 PolarHBondContact O-N 2.96Å
159	P	95.5	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.7	175.7	-25.1	36.2	0	0	0	111.6	W70 Q79 V106 I168 M170	W70-P159 HydrophobicContact CH2-CG 4.44Å; W70-P159 HydrophobicContact CZ3-CG 4.19Å; Q79-P159 VanDerWaalsContact O-CD 3.3Å; Q79-P159 WeakPolarHBondContact O-CD 3.05Å; V106-P159 HydrophobicContact CG1-CB 4.04Å; V106-P159 HydrophobicContact CG2-CB 3.82Å; V106-P159 HydrophobicContact CG2-CG 3.97Å; P159-I168 HydrophobicContact CB-CD1 3.83Å; P159-I168 HydrophobicContact CB-CG1 4.16Å; P159-I168 HydrophobicContact CB-CG2 4.25Å; P159-I168 HydrophobicContact CG-CD1 4.12Å; P159-I168 HydrophobicContact CG-CG2 3.75Å; P159-M170 HydrophobicContact CG-SD 3.82Å
160	L	90.6	Very high	95.1	Very high	65 Å²	65	43.7 Å²	43.7	34%	0.34	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.9	175.7	-69.9	-179.9	0	0	0	111.7	S108 L110 W130 L158	S108-L160 PolarHBondContact O-N 3.12Å; L110-L160 HydrophobicContact CD1-CD1 4.44Å; L110-L160 HydrophobicContact CD1-CD2 4.05Å; L110-L160 HydrophobicContact CD2-CD1 3.62Å; L110-L160 HydrophobicContact CD2-CG 4.46Å; L110-L160 HydrophobicContact CG-CD1 3.62Å; L110-L160 HydrophobicContact CG-CD2 3.93Å; L110-L160 HydrophobicContact CG-CG 3.9Å; W130-L160 WeakPolarHBondContact O-CD1 3.24Å; L158-L160 PolarHBondContact O-N 2.96Å
161	A	91.3	Very high	95.4	Very high	37 Å²	37	43.1 Å²	43.1	31%	0.306	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.3	175	0	0	0	0	0	110.5	V106 T107 S108	V106-A161 CarbonylContact C-O 3.49Å; V106-A161 WeakPolarHBondContact CG1-O 3.31Å; T107-A161 PolarHBondContact N-O 2.8Å; T107-A161 WeakPolarHBondContact OG1-CB 3.01Å; T107-A161 PolarHBondContact OG1-O 3.23Å; S108-A161 PolarHBondContact N-O 3.21Å; S108-A161 PolarHBondContact O-N 2.85Å; S108-A161 WeakPolarHBondContact OG-CB 3.42Å; S108-A161 PolarHBondContact OG-N 3.5Å
162	W	96.3	Very high	95.6	Very high	65 Å²	65	41.1 Å²	41.1	25%	0.246	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	172.9	-178.3	55.9	91.6	0	0	0	110.3	S75 W105 T107 P164 I168	S75-W162 WeakPolarHBondContact O-CZ2 3.5Å; W105-W162 VanDerWaalsContact O-CA 3.25Å; W105-W162 WeakPolarHBondContact O-CA 3.16Å; W105-W162 WeakPolarHBondContact O-CB 3.44Å; T107-W162 PolarHBondContact OG1-N 2.86Å; W162-P164 WeakPolarHBondContact O-CD 3.25Å; W162-I168 HydrophobicContact CB-CG1 4.26Å; W162-I168 HydrophobicContact CD2-CD1 4.26Å; W162-I168 HydrophobicContact CD2-CG1 3.64Å; W162-I168 HydrophobicContact CE3-CD1 3.86Å; W162-I168 HydrophobicContact CE3-CG1 3.65Å; W162-I168 HydrophobicContact CG-CG1 3.92Å; W162-I168 HydrophobicContact CZ3-CD1 4.01Å; W162-I168 HydrophobicContact CZ3-CG1 4.29Å
163	N	96.7	Very high	95.7	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.08	20%	0.196	C	C	.	.			trans	-54.9	122.1	177.7	-177.2	15.9	0	0	0	111.6	S103 W105 R165 G166	S103-N163 WeakPolarHBondContact O-CB 3.28Å; S103-N163 PolarHBondContact O-ND2 2.97Å; W105-N163 HydrophobicContact CD2-CB 3.87Å; W105-N163 VanDerWaalsContact CE2-CB 3.5Å; W105-N163 HydrophobicContact CE3-CB 4.42Å; W105-N163 HydrophobicContact CG-CB 4.32Å; W105-N163 HydrophobicContact CH2-CB 4.31Å; W105-N163 WeakPolarHBondContact CH2-ND2 3.45Å; W105-N163 HydrophobicContact CZ2-CB 3.72Å; W105-N163 VanDerWaalsContact CZ2-ND2 3.28Å; W105-N163 WeakPolarHBondContact CZ2-ND2 3.3Å; W105-N163 PolarHBondContact O-N 2.68Å; N163-R165 PolarHBondContact O-N 2.84Å; N163-R165 VanDerWaalsContact O-N 3.13Å; N163-R165 PolarHBondContact OD1-N 3.18Å; N163-G166 CarbonylContact O-C 3.59Å; N163-G166 PolarHBondContact O-N 2.76Å
164	P	92.4	Very high	95.8	Very high	126 Å²	126	37.3 Å²	37.3	82%	0.818	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	178.7	26.2	-35.8	0	0	0	113.4	W162	W162-P164 WeakPolarHBondContact O-CD 3.25Å
165	R	92.7	Very high	95.9	Very high	221 Å²	221	38.6 Å²	38.6	83%	0.834	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	6.8	176.2	-58	-175.3	-175.2	172.2	1.9	113.7	S103 N163	S103-R165 PolarHBondContact OG-O 2.73Å; S103-R165 VanDerWaalsContact OG-O 3.11Å; N163-R165 PolarHBondContact O-N 2.84Å; N163-R165 VanDerWaalsContact O-N 3.13Å; N163-R165 PolarHBondContact OD1-N 3.18Å
166	G	94	Very high	95.8	Very high	21 Å²	21	38.6 Å²	38.6	22%	0.216	19%	0.185	C	C	.	.	S	Bend	trans	-148.2	-156.5	-177.9	0	0	0	0	0	112.2	N163	N163-G166 CarbonylContact O-C 3.59Å; N163-G166 PolarHBondContact O-N 2.76Å
167	R	95.1	Very high	95.7	Very high	114 Å²	114	36.5 Å²	36.5	43%	0.43	18%	0.179	S	C	.	.			trans	-116	-179.9	179.9	-59.4	-179.1	177.7	-139.3	-0.5	110.9	T71 S75 D104 W105 G169	T71-R167 HydrophobicContact CG2-CB 4.35Å; S75-R167 WeakPolarHBondContact OG-CB 3.42Å; D104-R167 VanDerWaalsContact CA-O 3.27Å; D104-R167 WeakPolarHBondContact CA-O 3.49Å; D104-R167 HydrophobicContact CB-CB 4.35Å; D104-R167 WeakPolarHBondContact CB-O 3.33Å; D104-R167 WeakPolarHBondContact OD1-CA 3.43Å; D104-R167 WeakPolarHBondContact OD1-CB 3.37Å; D104-R167 PolarHBondContact OD1-N 2.86Å; W105-R167 PolarHBondContact N-O 3.26Å; R167-G169 PolarHBondContact O-N 2.76Å
168	I	97.8	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.			trans	-66	119.7	163	-66	172.6	0	0	0	108.5	W70 T71 P72 S75 Q79 V106 P159 W162 M170	W70-I168 HydrophobicContact CE3-CG2 4.36Å; W70-I168 HydrophobicContact CH2-CG2 4.2Å; W70-I168 HydrophobicContact CZ3-CG2 3.74Å; T71-I168 WeakPolarHBondContact CA-O 3.45Å; T71-I168 WeakPolarHBondContact CB-O 3.11Å; T71-I168 VanDerWaalsContact CG2-O 3.27Å; T71-I168 WeakPolarHBondContact CG2-O 3.47Å; T71-I168 PolarHBondContact OG1-O 3.01Å; T71-I168 VanDerWaalsContact OG1-O 3.1Å; P72-I168 HydrophobicContact CG-CB 3.78Å; P72-I168 HydrophobicContact CG-CD1 4.09Å; P72-I168 HydrophobicContact CG-CG1 4.5Å; P72-I168 HydrophobicContact CG-CG2 3.88Å; S75-I168 PolarHBondContact OG-N 2.84Å; S75-I168 VanDerWaalsContact OG-N 3.11Å; Q79-I168 HydrophobicContact CB-CD1 4.08Å; Q79-I168 HydrophobicContact CG-CD1 4.03Å; V106-I168 HydrophobicContact CG2-CB 4.47Å; V106-I168 HydrophobicContact CG2-CG2 3.84Å; P159-I168 HydrophobicContact CB-CD1 3.83Å; P159-I168 HydrophobicContact CB-CG1 4.16Å; P159-I168 HydrophobicContact CB-CG2 4.25Å; P159-I168 HydrophobicContact CG-CD1 4.12Å; P159-I168 HydrophobicContact CG-CG2 3.75Å; W162-I168 HydrophobicContact CB-CG1 4.26Å; W162-I168 HydrophobicContact CD2-CD1 4.26Å; W162-I168 HydrophobicContact CD2-CG1 3.64Å; W162-I168 HydrophobicContact CE3-CD1 3.86Å; W162-I168 HydrophobicContact CE3-CG1 3.65Å; W162-I168 HydrophobicContact CG-CG1 3.92Å; W162-I168 HydrophobicContact CZ3-CD1 4.01Å; W162-I168 HydrophobicContact CZ3-CG1 4.29Å; I168-M170 HydrophobicContact CG2-CG 4.48Å
169	G	97.1	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.			trans	-135.4	127.5	171	0	0	0	0	0	109.3	W70 W105 R167	W70-G169 WeakPolarHBondContact O-CA 3.34Å; W105-G169 WeakPolarHBondContact CA-O 3.46Å; R167-G169 PolarHBondContact O-N 2.76Å
170	M	97.4	Very high	94.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-139.9	139	-180	-55.8	-173	76.3	0	0	113.6	W70 L81 T96 Q97 V106 F157 P159 I168 I172	W70-M170 HydrophobicContact CE3-CB 4.07Å; W70-M170 HydrophobicContact CE3-CG 4.19Å; W70-M170 HydrophobicContact CE3-SD 4.37Å; W70-M170 HydrophobicContact CZ3-CG 4.26Å; W70-M170 HydrophobicContact CZ3-SD 3.98Å; W70-M170 PolarHBondContact N-O 3.19Å; W70-M170 PolarHBondContact O-N 2.8Å; L81-M170 HydrophobicContact CD2-CB 4.18Å; T96-M170 HydrophobicContact CG2-CE 4.06Å; Q97-M170 CarbonylContact O-C 3.58Å; Q97-M170 WeakPolarHBondContact O-CA 3.35Å; V106-M170 HydrophobicContact CB-CE 4.32Å; V106-M170 HydrophobicContact CB-CG 4.1Å; V106-M170 HydrophobicContact CB-SD 4.23Å; V106-M170 HydrophobicContact CG1-CE 4.43Å; V106-M170 HydrophobicContact CG2-CE 4.43Å; V106-M170 HydrophobicContact CG2-CG 3.46Å; V106-M170 VanDerWaalsContact CG2-CG 3.46Å; V106-M170 HydrophobicContact CG2-SD 3.7Å; F157-M170 HydrophobicContact CB-CE 4.2Å; F157-M170 HydrophobicContact CD1-CE 4.42Å; P159-M170 HydrophobicContact CG-SD 3.82Å; I168-M170 HydrophobicContact CG2-CG 4.48Å; M170-I172 HydrophobicContact CE-CG2 4.26Å
171	R	97.8	Very high	94.5	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.4	157.6	-69.3	174.9	-72.9	173.8	0.4	107.9	S59 R63 G68 T96 Q97 G98 A138	S59-R171 CarbonylContact O-C 3.48Å; S59-R171 WeakPolarHBondContact O-CA 3.38Å; R63-R171 VanDerWaalsContact O-CD 3.25Å; R63-R171 WeakPolarHBondContact O-CD 3.45Å; R63-R171 PolarHBondContact O-NH1 3.06Å; G68-R171 VanDerWaalsContact O-CD 3.26Å; G68-R171 WeakPolarHBondContact O-CD 3.27Å; G68-R171 PolarHBondContact O-NE 2.65Å; T96-R171 CarbonylContact C-O 3.46Å; T96-R171 WeakPolarHBondContact CA-O 3.38Å; Q97-R171 HydrophobicContact CB-CB 4.14Å; Q97-R171 VanDerWaalsContact CD-CZ 3.45Å; Q97-R171 VanDerWaalsContact CD-NH2 3.35Å; Q97-R171 PolarHBondContact N-O 3.31Å; Q97-R171 PolarHBondContact O-N 3.26Å; G98-R171 PolarHBondContact O-NE 2.62Å; G98-R171 PolarHBondContact O-NH2 3.13Å; A138-R171 PolarHBondContact O-NH2 2.81Å
172	I	97.7	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.7	-170.3	62.2	166.6	0	0	0	111.6	S59 L61 L81 A95 T96 F157 M170	S59-I172 WeakPolarHBondContact O-CG1 3.41Å; S59-I172 PolarHBondContact O-N 2.95Å; L61-I172 PolarHBondContact N-O 3.41Å; L81-I172 HydrophobicContact CD2-CD1 3.86Å; L81-I172 HydrophobicContact CD2-CG1 4.08Å; L81-I172 HydrophobicContact CD2-CG2 4Å; L81-I172 HydrophobicContact CG-CD1 4.25Å; A95-I172 CarbonylContact O-C 3.59Å; A95-I172 VanDerWaalsContact O-CA 3.24Å; A95-I172 WeakPolarHBondContact O-CA 3.38Å; T96-I172 HydrophobicContact CG2-CG2 4.37Å; F157-I172 HydrophobicContact CD1-CG2 4.34Å; F157-I172 HydrophobicContact CD2-CD1 3.86Å; F157-I172 HydrophobicContact CD2-CG2 4.42Å; F157-I172 HydrophobicContact CE1-CG2 4.32Å; F157-I172 HydrophobicContact CE2-CB 4.47Å; F157-I172 HydrophobicContact CE2-CD1 3.61Å; F157-I172 HydrophobicContact CE2-CG2 4.43Å; F157-I172 HydrophobicContact CG-CG2 4.4Å; F157-I172 HydrophobicContact CZ-CB 4.4Å; F157-I172 HydrophobicContact CZ-CD1 4.33Å; F157-I172 HydrophobicContact CZ-CG2 4.37Å; M170-I172 HydrophobicContact CE-CG2 4.26Å
173	E	97.6	Very high	94.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.019	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151	163.8	-176.3	56.8	-88.8	0	0	108.7	P34 L35 A36 S37 L61 V94 A95 Y175	P34-E173 HydrophobicContact CB-CG 4.16Å; L35-E173 PolarHBondContact N-OE1 2.96Å; A36-E173 WeakPolarHBondContact CA-OE1 3.29Å; A36-E173 WeakPolarHBondContact CB-OE1 3.17Å; A36-E173 PolarHBondContact N-OE1 3Å; S37-E173 VanDerWaalsContact CB-OE2 3.26Å; S37-E173 WeakPolarHBondContact CB-OE2 3.48Å; S37-E173 PolarHBondContact N-OE1 3.01Å; S37-E173 PolarHBondContact N-OE2 2.9Å; S37-E173 PolarHBondContact OG-OE2 3.48Å; L61-E173 HydrophobicContact CB-CB 3.77Å; L61-E173 HydrophobicContact CD2-CB 3.67Å; L61-E173 HydrophobicContact CD2-CG 4.43Å; L61-E173 HydrophobicContact CG-CB 4.26Å; V94-E173 WeakPolarHBondContact CA-O 3.37Å; A95-E173 HydrophobicContact CB-CB 4.36Å; A95-E173 PolarHBondContact N-O 3.15Å; A95-E173 PolarHBondContact O-N 2.9Å; E173-Y175 HydrophobicContact CB-CE2 3.89Å; E173-Y175 HydrophobicContact CG-CD1 4.44Å; E173-Y175 HydrophobicContact CG-CD2 4.11Å; E173-Y175 HydrophobicContact CG-CE1 3.92Å; E173-Y175 HydrophobicContact CG-CE2 3.52Å; E173-Y175 VanDerWaalsContact CG-CZ 3.42Å
174	V	97.8	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.2	174.3	-177.3	0	0	0	0	106.9	L35 I83 V91 L155 F157	L35-V174 WeakPolarHBondContact CB-O 3.42Å; L35-V174 HydrophobicContact CD1-CG1 4.34Å; L35-V174 PolarHBondContact N-O 3.3Å; I83-V174 HydrophobicContact CG2-CG2 4.22Å; V91-V174 HydrophobicContact CG1-CG1 3.61Å; V91-V174 HydrophobicContact CG2-CG1 4.2Å; L155-V174 HydrophobicContact CD1-CG1 4.46Å; L155-V174 HydrophobicContact CD2-CG1 3.9Å; L155-V174 HydrophobicContact CD2-CG2 4.12Å; F157-V174 HydrophobicContact CZ-CG2 4.42Å
175	Y	97.6	Very high	94.5	Very high	47 Å²	47	36.8 Å²	36.8	18%	0.184	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.7	-179.6	-58.5	-95	0	0	0	110.5	D32 S33 P34 T92 A93 A95 H143 E173	D32-Y175 WeakPolarHBondContact O-CD1 3.4Å; S33-Y175 CarbonylContact O-C 3.58Å; S33-Y175 VanDerWaalsContact O-CA 3.3Å; S33-Y175 WeakPolarHBondContact O-CA 3.31Å; P34-Y175 HydrophobicContact CB-CD1 4.33Å; P34-Y175 HydrophobicContact CB-CE1 4.2Å; T92-Y175 PolarHBondContact N-O 3.33Å; T92-Y175 PolarHBondContact OG1-O 3.13Å; A93-Y175 HydrophobicContact CB-CD2 4.06Å; A93-Y175 HydrophobicContact CB-CG 4.38Å; A93-Y175 PolarHBondContact N-O 3.05Å; A93-Y175 PolarHBondContact O-N 2.87Å; A95-Y175 HydrophobicContact CB-CE2 3.84Å; H143-Y175 AromaticContact CD2-CE2 3.58Å; H143-Y175 AromaticContact NE2-CD2 3.76Å; H143-Y175 AromaticContact NE2-CE2 3.79Å; E173-Y175 HydrophobicContact CB-CE2 3.89Å; E173-Y175 HydrophobicContact CG-CD1 4.44Å; E173-Y175 HydrophobicContact CG-CD2 4.11Å; E173-Y175 HydrophobicContact CG-CE1 3.92Å; E173-Y175 HydrophobicContact CG-CE2 3.52Å; E173-Y175 VanDerWaalsContact CG-CZ 3.42Å
176	G	96.6	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-159.6	-176.1	0	0	0	0	0	114	C31 S33 E90	C31-G176 CarbonylContact O-C 3.52Å; C31-G176 VanDerWaalsContact O-C 3.29Å; C31-G176 WeakPolarHBondContact O-CA 3.45Å; S33-G176 WeakPolarHBondContact CB-O 3.47Å; S33-G176 PolarHBondContact N-O 3.42Å; S33-G176 PolarHBondContact O-N 3.13Å; E90-G176 CarbonylContact O-C 3.54Å; E90-G176 WeakPolarHBondContact O-CA 3.44Å
177	C	95.1	Very high	94.4	Very high	7 Å²	7	27.8 Å²	27.8	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171.8	174.5	66.5	0	0	0	0	112.3	C31 E90 Y179	C31-C177 HydrophobicContact CB-CB 3.95Å; C31-C177 WeakPolarHBondContact CB-SG 3.34Å; C31-C177 WeakPolarHBondContact SG-CB 3.42Å; C31-C177 PolarHBondContact SG-N 2.79Å; C31-C177 CovalentContact SG-SG 2.04Å; C31-C177 PolarHBondContact SG-SG 2.93Å; E90-C177 PolarHBondContact N-O 2.88Å; E90-C177 PolarHBondContact O-N 3.32Å; E90-C177 VanDerWaalsContact O-N 3.09Å; C177-Y179 PolarHBondContact O-N 2.81Å
178	A	93.1	Very high	94.2	Very high	56 Å²	56	23.5 Å²	23.5	46%	0.463	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.6	177.5	0	0	0	0	0	110.3	M89	M89-A178 HydrophobicContact CE-CB 4.18Å
179	Y	91.1	Very high	93.8	Very high	40 Å²	40	31.7 Å²	31.7	16%	0.157	17%	0.165	C	C	.	.			trans	-104.3	119.2	178.1	176.3	-101.8	0	0	0	110.3	E151 C177 S181 K211 E334 N335	E151-Y179 HydrophobicContact CB-CD1 4.3Å; E151-Y179 HydrophobicContact CB-CE1 4.4Å; E151-Y179 HydrophobicContact CB-CG 4.44Å; E151-Y179 HydrophobicContact CG-CD1 4.05Å; E151-Y179 HydrophobicContact CG-CD2 3.71Å; E151-Y179 HydrophobicContact CG-CE1 4.04Å; E151-Y179 HydrophobicContact CG-CE2 3.7Å; E151-Y179 HydrophobicContact CG-CG 3.87Å; C177-Y179 PolarHBondContact O-N 2.81Å; Y179-S181 PolarHBondContact O-N 3.36Å; Y179-K211 PolarHBondContact OH-NZ 2.97Å; Y179-K211 VanDerWaalsContact OH-NZ 3.13Å; Y179-E334 PolarHBondContact OH-OE2 2.9Å; Y179-N335 PolarHBondContact OH-ND2 3.4Å; Y179-N335 VanDerWaalsContact OH-ND2 3.08Å
180	K	85.8	Confident	93.5	Very high	131 Å²	131	31.7 Å²	31.7	57%	0.57	17%	0.165	S	C	*	.			trans	-76.6	113.2	175.1	-170.3	-177.4	173.9	-161.7	0	109.4	E182 N335 E345	K180-E182 WeakPolarHBondContact CE-OE1 3.27Å; K180-E182 IonicContact NZ-OE1 3.81Å; K180-N335 PolarHBondContact O-ND2 3.03Å; K180-E345 IonicContact NZ-OE2 3.62Å
181	S	84.6	Confident	93.3	Very high	42 Å²	42	31.9 Å²	31.9	29%	0.294	17%	0.167	S	C	.	.			trans	-114.9	106.9	-177.8	172.3	0	0	0	0	110.2	Y179 V183 E334	Y179-S181 PolarHBondContact O-N 3.36Å; S181-V183 VanDerWaalsContact OG-CG2 3.3Å; S181-V183 WeakPolarHBondContact OG-CG2 3.47Å; S181-E334 VanDerWaalsContact CB-OE1 3.29Å; S181-E334 WeakPolarHBondContact CB-OE1 3.38Å; S181-E334 PolarHBondContact OG-OE1 3.11Å
182	E	90.3	Very high	93.2	Very high	33 Å²	33	31.7 Å²	31.7	15%	0.154	17%	0.167	C	C	.	.			trans	-100	112.1	172.7	-60.6	-61.8	165.2	0	0	109.1	K180 E334 N335 T344 K348	K180-E182 WeakPolarHBondContact CE-OE1 3.27Å; K180-E182 IonicContact NZ-OE1 3.81Å; E182-E334 CarbonylContact O-C 3.57Å; E182-E334 VanDerWaalsContact O-CA 3.31Å; E182-E334 WeakPolarHBondContact O-CA 3.38Å; E182-N335 PolarHBondContact N-OD1 3.07Å; E182-N335 PolarHBondContact O-N 3.04Å; E182-T344 HydrophobicContact CB-CG2 3.81Å; E182-K348 WeakPolarHBondContact OE2-CD 3.37Å; E182-K348 WeakPolarHBondContact OE2-CE 3.25Å; E182-K348 IonicContact OE2-NZ 3.88Å; E182-K348 PolarHBondContact OE2-NZ 2.89Å
183	V	93.6	Very high	93	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.073	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	-173.1	-176.4	0	0	0	0	111.8	S181 W272 C332 L333 E334 K348 F362 C364	S181-V183 VanDerWaalsContact OG-CG2 3.3Å; S181-V183 WeakPolarHBondContact OG-CG2 3.47Å; V183-W272 HydrophobicContact CG1-CH2 3.99Å; V183-W272 HydrophobicContact CG1-CZ2 4.47Å; V183-W272 HydrophobicContact CG2-CH2 4.31Å; V183-W272 HydrophobicContact CG2-CZ2 4.38Å; V183-C332 HydrophobicContact CG1-CB 4.03Å; V183-L333 CarbonylContact C-O 3.55Å; V183-L333 WeakPolarHBondContact CA-O 3.47Å; V183-E334 HydrophobicContact CG2-CB 4.15Å; V183-E334 HydrophobicContact CG2-CG 4.35Å; V183-K348 WeakPolarHBondContact O-CE 3.36Å; V183-F362 CarbonylContact O-C 3.53Å; V183-F362 WeakPolarHBondContact O-CA 3.27Å; V183-C364 HydrophobicContact CG1-CB 3.92Å
184	V	95.4	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.5	167.9	58.1	0	0	0	0	109.8	F186 L192 C332 L333 T344 V360 S361 F362	V184-F186 HydrophobicContact CB-CE2 4.41Å; V184-F186 HydrophobicContact CG1-CE2 3.62Å; V184-F186 HydrophobicContact CG1-CZ 3.95Å; V184-F186 HydrophobicContact CG2-CE1 4.49Å; V184-F186 HydrophobicContact CG2-CE2 4.05Å; V184-F186 HydrophobicContact CG2-CZ 3.96Å; V184-L192 HydrophobicContact CG1-CD1 4.39Å; V184-L192 HydrophobicContact CG2-CD1 4.16Å; V184-C332 CarbonylContact O-C 3.6Å; V184-C332 VanDerWaalsContact O-CA 3.31Å; V184-C332 WeakPolarHBondContact O-CA 3.34Å; V184-L333 HydrophobicContact CG1-CB 3.91Å; V184-L333 PolarHBondContact N-O 2.99Å; V184-L333 PolarHBondContact O-N 3.44Å; V184-T344 HydrophobicContact CB-CG2 4.34Å; V184-T344 HydrophobicContact CG1-CG2 4.43Å; V184-V360 HydrophobicContact CG2-CG1 3.26Å; V184-S361 CarbonylContact C-O 3.6Å; V184-S361 WeakPolarHBondContact CA-O 3.37Å; V184-F362 HydrophobicContact CB-CD1 4.43Å; V184-F362 HydrophobicContact CG2-CE1 4.48Å
185	Y	95.6	Very high	92.5	Very high	40 Å²	40	35.5 Å²	35.5	16%	0.157	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.6	178.4	168.5	-103.5	0	0	0	110.9	D187 H330 G331 S361 S363 P365	Y185-D187 HydrophobicContact CE1-CB 3.9Å; Y185-H330 PolarHBondContact OH-NE2 3.44Å; Y185-G331 WeakPolarHBondContact CD2-O 3.33Å; Y185-S361 WeakPolarHBondContact CB-OG 3.45Å; Y185-S361 PolarHBondContact N-O 3.17Å; Y185-S363 WeakPolarHBondContact CB-O 3.4Å; Y185-P365 HydrophobicContact CD2-CG 3.71Å; Y185-P365 HydrophobicContact CE1-CG 4.47Å; Y185-P365 HydrophobicContact CE2-CG 3.46Å; Y185-P365 VanDerWaalsContact CE2-CG 3.46Å; Y185-P365 HydrophobicContact CG-CG 4.3Å
186	F	94.4	Very high	91.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.5	175.3	-58.5	-86.1	0	0	0	109.6	V184 G188 S190 L192 F312 F329 H330 G331 L333	V184-F186 HydrophobicContact CB-CE2 4.41Å; V184-F186 HydrophobicContact CG1-CE2 3.62Å; V184-F186 HydrophobicContact CG1-CZ 3.95Å; V184-F186 HydrophobicContact CG2-CE1 4.49Å; V184-F186 HydrophobicContact CG2-CE2 4.05Å; V184-F186 HydrophobicContact CG2-CZ 3.96Å; F186-G188 VanDerWaalsContact C-N 3.35Å; F186-S190 WeakPolarHBondContact CA-OG 3.49Å; F186-L192 HydrophobicContact CE1-CG 4Å; F186-L192 HydrophobicContact CZ-CD1 4.12Å; F186-L192 HydrophobicContact CZ-CG 3.99Å; F186-F312 WeakPolarHBondContact CE1-O 3.48Å; F186-F312 HydrophobicContact CZ-CB 4.33Å; F186-F329 HydrophobicContact CB-CD1 4.26Å; F186-F329 VanDerWaalsContact CB-O 3.27Å; F186-F329 WeakPolarHBondContact CB-O 3.27Å; F186-F329 HydrophobicContact CD2-CD1 4.08Å; F186-F329 HydrophobicContact CD2-CE1 4.46Å; F186-F329 HydrophobicContact CG-CD1 4.45Å; F186-H330 CarbonylContact O-C 3.53Å; F186-H330 WeakPolarHBondContact O-CA 3.36Å; F186-H330 PolarHBondContact O-CD2 3.46Å; F186-G331 PolarHBondContact N-O 3Å; F186-G331 PolarHBondContact O-N 3.19Å; F186-L333 HydrophobicContact CD2-CD1 4.31Å; F186-L333 HydrophobicContact CD2-CG 4.08Å; F186-L333 HydrophobicContact CE2-CB 4.13Å; F186-L333 HydrophobicContact CE2-CD1 3.52Å; F186-L333 HydrophobicContact CE2-CG 3.6Å; F186-L333 HydrophobicContact CZ-CD1 4.16Å
187	D	91.7	Very high	91	Very high	53 Å²	53	38.7 Å²	38.7	28%	0.283	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	5.5	-179.4	64.1	-8.9	0	0	0	113.8	Y185 Q189 S190	Y185-D187 HydrophobicContact CE1-CB 3.9Å; D187-Q189 VanDerWaalsContact C-N 3.33Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.27Å; D187-Q189 PolarHBondContact OD1-N 3.26Å; D187-S190 PolarHBondContact N-OG 2.83Å; D187-S190 VanDerWaalsContact N-OG 3.15Å; D187-S190 WeakPolarHBondContact OD1-CB 3.43Å; D187-S190 PolarHBondContact OD1-N 2.86Å; D187-S190 PolarHBondContact OD1-OG 2.77Å
188	G	90.8	Very high	89.7	Confident	25 Å²	25	46.7 Å²	46.7	26%	0.258	24%	0.242	S	C	.	.	S	Bend	trans	83.6	3.2	-172.6	0	0	0	0	0	114.5	F186 S328 F329	F186-G188 VanDerWaalsContact C-N 3.35Å; G188-S328 VanDerWaalsContact O-CB 3.28Å; G188-S328 WeakPolarHBondContact O-CB 3.43Å; G188-F329 WeakPolarHBondContact CA-O 3.12Å; G188-F329 PolarHBondContact N-O 2.82Å
189	Q	89.6	Confident	88.2	Confident	171 Å²	171	51.5 Å²	51.5	80%	0.799	25%	0.252	S	S	*	.	S	Bend	trans	-126.6	-20.5	172.4	-59.9	-177.4	13.4	0	0	112.5	D187	D187-Q189 VanDerWaalsContact C-N 3.33Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.27Å; D187-Q189 PolarHBondContact OD1-N 3.26Å
190	S	91.1	Very high	86.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.			trans	-84.6	153.2	176.5	43.1	0	0	0	0	112.8	F186 D187 M357	F186-S190 WeakPolarHBondContact CA-OG 3.49Å; D187-S190 PolarHBondContact N-OG 2.83Å; D187-S190 VanDerWaalsContact N-OG 3.15Å; D187-S190 WeakPolarHBondContact OD1-CB 3.43Å; D187-S190 PolarHBondContact OD1-N 2.86Å; D187-S190 PolarHBondContact OD1-OG 2.77Å; S190-M357 WeakPolarHBondContact CA-O 3.45Å; S190-M357 VanDerWaalsContact CB-O 3.29Å; S190-M357 WeakPolarHBondContact CB-O 3.46Å
191	A	93.1	Very high	84.7	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.9	176.2	0	0	0	0	0	110.9	F312 L316 M357	A191-F312 CarbonylContact C-O 3.48Å; A191-F312 VanDerWaalsContact CA-O 3.28Å; A191-F312 WeakPolarHBondContact CA-O 3.29Å; A191-F312 WeakPolarHBondContact CB-O 3.49Å; A191-L316 HydrophobicContact CB-CD2 4.37Å; A191-M357 PolarHBondContact N-O 2.65Å; A191-M357 PolarHBondContact O-N 3.28Å
192	L	94.3	Very high	83.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.8	168	-65	-177.4	0	0	0	109.2	V184 F186 S311 F312 A347 I354 M356 V360	V184-L192 HydrophobicContact CG1-CD1 4.39Å; V184-L192 HydrophobicContact CG2-CD1 4.16Å; F186-L192 HydrophobicContact CE1-CG 4Å; F186-L192 HydrophobicContact CZ-CD1 4.12Å; F186-L192 HydrophobicContact CZ-CG 3.99Å; L192-S311 CarbonylContact O-C 3.51Å; L192-S311 VanDerWaalsContact O-CA 3.25Å; L192-S311 WeakPolarHBondContact O-CA 3.49Å; L192-F312 HydrophobicContact CB-CB 4.36Å; L192-F312 PolarHBondContact N-O 3.3Å; L192-F312 PolarHBondContact O-N 3.34Å; L192-A347 HydrophobicContact CD1-CB 4Å; L192-A347 HydrophobicContact CD2-CB 4.2Å; L192-I354 HydrophobicContact CD2-CG2 4.25Å; L192-M356 HydrophobicContact CD2-CB 4.16Å; L192-M356 HydrophobicContact CD2-CG 3.57Å; L192-M356 HydrophobicContact CD2-SD 4.43Å; L192-V360 HydrophobicContact CD2-CG1 4.26Å; L192-V360 HydrophobicContact CD2-CG2 4.11Å
193	L	93.8	Very high	81.6	Confident	23 Å²	23	62.8 Å²	62.8	12%	0.12	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.4	170.7	-176.8	67.9	0	0	0	108.7	E309 L316 I354 L355 M357	L193-E309 HydrophobicContact CD1-CB 4.04Å; L193-L316 HydrophobicContact CB-CD1 4.07Å; L193-L316 HydrophobicContact CD1-CD1 4.19Å; L193-L316 HydrophobicContact CD2-CD1 4.15Å; L193-L316 HydrophobicContact CG-CD1 4.38Å; L193-I354 WeakPolarHBondContact O-CA 3.41Å; L193-L355 HydrophobicContact CB-CB 4.24Å; L193-L355 HydrophobicContact CD2-CD2 4.35Å; L193-L355 PolarHBondContact N-O 3.28Å; L193-L355 PolarHBondContact O-N 2.8Å; L193-M357 HydrophobicContact CD2-CE 4.5Å
194	Y	93	Very high	80	Confident	11 Å²	11	68.4 Å²	68.4	4%	0.043	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.7	177	174.1	-128.9	0	0	0	110.6	L196 E309 I310 Y338 V343 L346 Q353 I354	Y194-L196 HydrophobicContact CE1-CG 4.14Å; Y194-E309 WeakPolarHBondContact O-CA 3.47Å; Y194-I310 HydrophobicContact CD1-CG2 3.77Å; Y194-I310 HydrophobicContact CG-CG2 4.32Å; Y194-I310 PolarHBondContact N-O 2.87Å; Y194-I310 PolarHBondContact O-N 2.94Å; Y194-Y338 HydrophobicContact CE1-CD1 4.21Å; Y194-V343 HydrophobicContact CD1-CG2 4.11Å; Y194-V343 HydrophobicContact CE1-CG2 4.44Å; Y194-V343 HydrophobicContact CG-CG2 4.38Å; Y194-L346 HydrophobicContact CD2-CD1 4.29Å; Y194-L346 HydrophobicContact CE2-CD1 3.77Å; Y194-Q353 HydrophobicContact CD2-CB 4.32Å; Y194-Q353 HydrophobicContact CE2-CB 4.05Å; Y194-I354 HydrophobicContact CD2-CD1 3.46Å; Y194-I354 VanDerWaalsContact CD2-CD1 3.46Å; Y194-I354 HydrophobicContact CD2-CG1 4.32Å; Y194-I354 HydrophobicContact CE2-CD1 4.48Å; Y194-I354 HydrophobicContact CG-CD1 3.87Å
195	T	91.4	Very high	79	Confident	50 Å²	50	74.1 Å²	74.1	31%	0.307	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.9	175.2	-52.3	0	0	0	0	109.9	F308 E309 Q353	T195-F308 CarbonylContact C-O 3.54Å; T195-F308 WeakPolarHBondContact CA-O 3.38Å; T195-E309 HydrophobicContact CG2-CG 4.42Å; T195-Q353 PolarHBondContact N-O 2.95Å
196	L	86	Confident	78.4	Confident	19 Å²	19	73.1 Å²	73.1	10%	0.099	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-71.9	146.5	177	-64.1	91.4	0	0	0	110.9	Y194 K198 F308 I310 Y338	Y194-L196 HydrophobicContact CE1-CG 4.14Å; L196-K198 PolarHBondContact O-N 2.03Å; L196-F308 HydrophobicContact CB-CB 4.32Å; L196-F308 HydrophobicContact CB-CD1 4.48Å; L196-F308 WeakPolarHBondContact CD1-O 3.17Å; L196-F308 PolarHBondContact N-O 2.96Å; L196-I310 HydrophobicContact CD1-CG2 4.18Å; L196-Y338 HydrophobicContact CD2-CD1 4.2Å; L196-Y338 HydrophobicContact CD2-CE1 3.4Å; L196-Y338 HydrophobicContact CG-CE1 4.33Å
197	D	77.9	Confident	78.3	Confident	95 Å²	95	74.7 Å²	74.7	51%	0.508	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62.6	130.7	174.2	-70.2	-27.6	0	0	0	110.6	K199 Q353	D197-K199 PolarHBondContact O-N 3.42Å; D197-Q353 PolarHBondContact OD1-NE2 2.94Å
198	K	67.3	Low	78.3	Confident	175 Å²	175	72.4 Å²	72.4	76%	0.761	37%	0.368	S	S	*	.			trans	-72.5	34.3	-177.1	-61.4	-178.6	179.5	178.8	0	114.2	L196	L196-K198 PolarHBondContact O-N 2.03Å
199	K	60.5	Low	78.6	Confident	156 Å²	156	73 Å²	73	68%	0.678	37%	0.368	S	S	*	.			trans	-67.3	138	174.8	-75.3	-176.9	-179.9	174.9	0	109.2	D197 L201	D197-K199 PolarHBondContact O-N 3.42Å; K199-L201 PolarHBondContact O-N 3.49Å
200	P	50.7	Low	78.9	Confident	130 Å²	130	65.1 Å²	65.1	84%	0.844	33%	0.331	S	S	*	.	S	Bend	trans	-74.1	5.4	-171	29.1	-34.8	0	0	0	114.9	K202	P200-K202 PolarHBondContact O-N 2.83Å
201	L	53.1	Low	79.2	Confident	150 Å²	150	66.9 Å²	66.9	79%	0.785	34%	0.338	S	S	*	.			trans	-91.8	103.3	175.5	-80.2	141.7	0	0	0	108.7	K199	K199-L201 PolarHBondContact O-N 3.49Å
202	K	54.5	Low	79.3	Confident	139 Å²	139	66.6 Å²	66.6	60%	0.604	34%	0.337	S	S	*	.			trans	-50.7	127.5	164.1	-70	177.9	177.9	175.6	0	107.8	P200 I204 N303	P200-K202 PolarHBondContact O-N 2.83Å; K202-I204 PolarHBondContact O-N 2.88Å; K202-I204 VanDerWaalsContact O-N 3.11Å; K202-N303 PolarHBondContact NZ-OD1 3.01Å
203	P	55.4	Low	79.3	Confident	65 Å²	65	67.6 Å²	67.6	42%	0.422	34%	0.341	S	S	.	.			trans	-58.8	121.3	175.7	-13.4	23.7	0	0	0	108.3	R205	P203-R205 WeakPolarHBondContact CB-O 3.29Å; P203-R205 PolarHBondContact O-N 2.82Å
204	I	60.3	Low	79.3	Confident	129 Å²	129	66.5 Å²	66.5	66%	0.662	34%	0.335	S	S	*	.	S	Bend	trans	-61.3	-20.3	167.1	-62.1	164.3	0	0	0	109.6	K202	K202-I204 PolarHBondContact O-N 2.88Å; K202-I204 VanDerWaalsContact O-N 3.11Å
205	R	75.6	Confident	79.1	Confident	120 Å²	120	68.3 Å²	68.3	45%	0.453	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.5	-179.2	-173.2	-178	-172.2	178.2	-3.7	110.8	P203 V207 E278 L279 L280	P203-R205 WeakPolarHBondContact CB-O 3.29Å; P203-R205 PolarHBondContact O-N 2.82Å; R205-V207 HydrophobicContact CG-CG2 3.73Å; R205-V207 VanDerWaalsContact NE-CG2 3.31Å; R205-E278 IonicContact CZ-OE1 3.86Å; R205-E278 IonicContact NH2-OE1 3.03Å; R205-E278 PolarHBondContact NH2-OE1 2.78Å; R205-L279 CarbonylContact C-O 3.45Å; R205-L279 VanDerWaalsContact CA-O 3.23Å; R205-L279 WeakPolarHBondContact CA-O 3.2Å; R205-L280 HydrophobicContact CB-CD2 3.81Å; R205-L280 HydrophobicContact CB-CG 4.46Å; R205-L280 HydrophobicContact CG-CD2 3.61Å; R205-L280 HydrophobicContact CG-CG 3.89Å
206	D	82.8	Confident	79	Confident	20 Å²	20	69.7 Å²	69.7	11%	0.107	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.5	165.3	-86.5	-32.8	0	0	0	109	R224 L279 Y338 N339	D206-R224 IonicContact OD2-NH1 3.6Å; D206-R224 PolarHBondContact OD2-NH1 3.06Å; D206-L279 HydrophobicContact CB-CB 4.08Å; D206-L279 HydrophobicContact CB-CD1 3.94Å; D206-L279 PolarHBondContact N-O 2.94Å; D206-L279 PolarHBondContact O-N 2.86Å; D206-Y338 PolarHBondContact OD1-OH 2.81Å; D206-Y338 PolarHBondContact OD2-OH 2.62Å; D206-N339 WeakPolarHBondContact CA-OD1 3.34Å; D206-N339 PolarHBondContact OD1-ND2 3.22Å
207	V	90.8	Very high	79.1	Confident	33 Å²	33	70.1 Å²	70.1	20%	0.2	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.6	177.1	-175.2	0	0	0	0	109.1	R205 L276 I277 E278 N339	R205-V207 HydrophobicContact CG-CG2 3.73Å; R205-V207 VanDerWaalsContact NE-CG2 3.31Å; V207-L276 HydrophobicContact CG1-CD1 3.84Å; V207-I277 WeakPolarHBondContact CA-O 3.38Å; V207-E278 HydrophobicContact CG1-CG 4.47Å; V207-N339 PolarHBondContact N-OD1 3.44Å; V207-N339 PolarHBondContact O-N 2.8Å
208	I	93.4	Very high	79.7	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.1	175.6	-50.3	175	0	0	0	107.4	L222 L276 I277 I310 Y337 Y338	I208-L222 HydrophobicContact CD1-CD1 4.41Å; I208-L222 HydrophobicContact CD1-CD2 4.28Å; I208-L222 HydrophobicContact CG2-CD2 4.01Å; I208-L276 WeakPolarHBondContact O-CA 3.47Å; I208-I277 HydrophobicContact CB-CB 4.32Å; I208-I277 PolarHBondContact N-O 3.03Å; I208-I277 PolarHBondContact O-N 2.68Å; I208-I310 HydrophobicContact CD1-CD1 4.35Å; I208-Y337 WeakPolarHBondContact CA-O 3.28Å; I208-Y338 HydrophobicContact CD1-CD2 4.21Å; I208-Y338 HydrophobicContact CD1-CE2 4Å; I208-Y338 HydrophobicContact CG1-CD2 3.77Å; I208-Y338 HydrophobicContact CG1-CE2 3.85Å
209	S	95.9	Very high	81	Confident	37 Å²	37	59.6 Å²	59.6	26%	0.259	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133	174.4	68.5	0	0	0	0	110.6	V275 Y337	S209-V275 WeakPolarHBondContact CA-O 3.29Å; S209-Y337 PolarHBondContact N-O 3.2Å; S209-Y337 PolarHBondContact O-N 2.78Å; S209-Y337 WeakPolarHBondContact OG-CB 3.48Å
210	L	96.5	Very high	82.6	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.8	177	60.2	84.3	0	0	0	110.1	F212 L221 L222 V275 L333 L336	L210-F212 HydrophobicContact CD1-CB 4.06Å; L210-F212 HydrophobicContact CD1-CD1 4.2Å; L210-L221 HydrophobicContact CD1-CD2 4.4Å; L210-L222 HydrophobicContact CD2-CD2 4.47Å; L210-V275 HydrophobicContact CD1-CB 3.95Å; L210-V275 HydrophobicContact CD1-CG2 4.04Å; L210-V275 HydrophobicContact CG-CB 4.24Å; L210-V275 PolarHBondContact N-O 2.89Å; L210-V275 PolarHBondContact O-N 2.85Å; L210-L333 HydrophobicContact CD1-CD2 4.28Å; L210-L336 HydrophobicContact CB-CD1 3.74Å; L210-L336 HydrophobicContact CD2-CD1 3.62Å; L210-L336 HydrophobicContact CG-CD1 4.32Å
211	K	96.5	Very high	84.7	Confident	36 Å²	36	46 Å²	46	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.7	159.6	-71.3	175	178.3	178.4	0	108.4	E151 Y179 W272 H273 L333 E334	E151-K211 IonicContact OE1-NZ 3.97Å; E151-K211 PolarHBondContact OE1-NZ 2.89Å; E151-K211 IonicContact OE2-NZ 3.5Å; E151-K211 PolarHBondContact OE2-NZ 2.75Å; Y179-K211 PolarHBondContact OH-NZ 2.97Å; Y179-K211 VanDerWaalsContact OH-NZ 3.13Å; K211-W272 HydrophobicContact CB-CE3 3.99Å; K211-H273 CarbonylContact C-O 3.37Å; K211-H273 WeakPolarHBondContact CA-O 3.28Å; K211-L333 CarbonylContact O-C 3.6Å; K211-L333 WeakPolarHBondContact O-CA 3.25Å; K211-E334 HydrophobicContact CB-CB 4.08Å; K211-E334 HydrophobicContact CB-CG 4.49Å; K211-E334 VanDerWaalsContact CD-OE2 3.24Å; K211-E334 WeakPolarHBondContact CD-OE2 3.2Å; K211-E334 PolarHBondContact N-O 2.79Å; K211-E334 PolarHBondContact O-N 3.36Å
212	F	96.6	Very high	86.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.8	174.9	77.5	-84.8	0	0	0	111.7	L210 A214 L221 L236 L241 L267 W272 H273 V275 F329 C332 L333	L210-F212 HydrophobicContact CD1-CB 4.06Å; L210-F212 HydrophobicContact CD1-CD1 4.2Å; F212-A214 HydrophobicContact CD2-CB 4.2Å; F212-A214 HydrophobicContact CE2-CB 4.17Å; F212-L221 HydrophobicContact CB-CD2 3.87Å; F212-L221 HydrophobicContact CD1-CD2 3.82Å; F212-L221 HydrophobicContact CD2-CD2 4.1Å; F212-L221 HydrophobicContact CE1-CD2 4.35Å; F212-L221 HydrophobicContact CG-CD2 3.66Å; F212-L236 HydrophobicContact CE2-CD1 4.26Å; F212-L236 HydrophobicContact CZ-CD1 4.4Å; F212-L241 HydrophobicContact CE1-CD1 4.37Å; F212-L241 HydrophobicContact CE1-CD2 4.1Å; F212-L241 HydrophobicContact CZ-CD1 4.3Å; F212-L267 HydrophobicContact CE2-CB 4.2Å; F212-L267 HydrophobicContact CZ-CB 3.84Å; F212-L267 HydrophobicContact CZ-CD1 4.03Å; F212-L267 HydrophobicContact CZ-CG 4.47Å; F212-W272 VanDerWaalsContact C-CE3 3.47Å; F212-W272 CarbonylContact O-C 3.57Å; F212-W272 WeakPolarHBondContact O-CA 3.27Å; F212-H273 HydrophobicContact CD1-CB 4.09Å; F212-H273 HydrophobicContact CE1-CB 3.63Å; F212-H273 HydrophobicContact CZ-CB 3.9Å; F212-H273 PolarHBondContact N-O 3.17Å; F212-H273 PolarHBondContact O-N 3.11Å; F212-V275 HydrophobicContact CD1-CG2 3.65Å; F212-V275 HydrophobicContact CE1-CG2 3.6Å; F212-F329 HydrophobicContact CB-CZ 4.16Å; F212-F329 HydrophobicContact CD2-CE2 4.23Å; F212-F329 HydrophobicContact CD2-CZ 4.17Å; F212-C332 CarbonylContact C-O 3.6Å; F212-C332 VanDerWaalsContact CA-O 3.29Å; F212-C332 WeakPolarHBondContact CA-O 3.14Å; F212-L333 HydrophobicContact CB-CD2 3.48Å; F212-L333 VanDerWaalsContact CB-CD2 3.48Å
213	K	94.3	Very high	88.4	Confident	20 Å²	20	33.2 Å²	33.2	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	111	171	172.3	170.8	169.9	151.1	0	108.2	Q270 W272 G331 C332	K213-Q270 WeakPolarHBondContact CD-O 3.48Å; K213-Q270 WeakPolarHBondContact CE-O 3.27Å; K213-Q270 PolarHBondContact NZ-O 3.21Å; K213-W272 HydrophobicContact CB-CD2 3.87Å; K213-W272 HydrophobicContact CB-CE3 3.71Å; K213-W272 HydrophobicContact CB-CG 4.5Å; K213-W272 HydrophobicContact CB-CH2 4.25Å; K213-W272 HydrophobicContact CB-CZ2 4.38Å; K213-W272 HydrophobicContact CB-CZ3 3.91Å; K213-G331 CarbonylContact O-C 3.59Å; K213-G331 WeakPolarHBondContact O-CA 3.05Å; K213-C332 HydrophobicContact CB-CB 4.44Å; K213-C332 PolarHBondContact N-O 2.66Å; K213-C332 PolarHBondContact O-N 3.04Å
214	A	93.1	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.8	-174.5	0	0	0	0	0	111.9	F212 L236 F329	F212-A214 HydrophobicContact CD2-CB 4.2Å; F212-A214 HydrophobicContact CE2-CB 4.17Å; A214-L236 HydrophobicContact CB-CD2 3.49Å; A214-L236 VanDerWaalsContact CB-CD2 3.49Å; A214-F329 HydrophobicContact CB-CE2 4.01Å; A214-F329 HydrophobicContact CB-CZ 4.46Å
215	M	89.6	Confident	91.1	Very high	49 Å²	49	30 Å²	30	24%	0.241	15%	0.146	C	C	.	.	S	Bend	trans	-99.7	-14.3	171.4	-59.8	-62.7	-177.9	0	0	111.9	Q270 H330 P365	M215-Q270 HydrophobicContact SD-CG 4.43Å; M215-H330 PolarHBondContact N-O 2.96Å; M215-P365 WeakPolarHBondContact CE-O 3.48Å
216	Q	88.7	Confident	91.1	Very high	80 Å²	80	24.5 Å²	24.5	37%	0.374	13%	0.126	S	C	.	.	S	Bend	trans	-129.4	154.3	174.3	-66.3	-173	3.2	0	0	110.6	N218 L236 H330	Q216-N218 VanDerWaalsContact C-N 3.25Å; Q216-N218 PolarHBondContact O-N 2.83Å; Q216-L236 VanDerWaalsContact O-CD2 3.28Å; Q216-L236 WeakPolarHBondContact O-CD2 3.41Å; Q216-H330 HydrophobicContact CB-CB 4.39Å; Q216-H330 HydrophobicContact CG-CB 3.95Å; Q216-H330 PolarHBondContact NE2-ND1 3.18Å
217	S	88.4	Confident	90.3	Very high	27 Å²	27	30.5 Å²	30.5	19%	0.189	15%	0.154	C	C	.	.	S	Bend	trans	-77.5	-7.4	-178.2	59	0	0	0	0	114.3	I237 K238 G239 D268	S217-I237 CarbonylContact O-C 3.6Å; S217-K238 WeakPolarHBondContact O-CA 3.39Å; S217-K238 PolarHBondContact O-N 2.85Å; S217-G239 PolarHBondContact O-N 3.44Å; S217-D268 WeakPolarHBondContact CB-OD2 3.12Å
218	N	90.4	Very high	89.1	Confident	49 Å²	49	35.3 Å²	35.3	26%	0.262	17%	0.174	S	C	.	.			trans	-137.2	141.4	179.4	-58.7	-86.1	0	0	0	111.1	Q216 L236 I237 K238	Q216-N218 VanDerWaalsContact C-N 3.25Å; Q216-N218 PolarHBondContact O-N 2.83Å; N218-L236 CarbonylContact C-O 3.55Å; N218-L236 WeakPolarHBondContact CA-O 3.42Å; N218-I237 WeakPolarHBondContact OD1-CA 3.17Å; N218-K238 PolarHBondContact OD1-N 2.86Å
219	G	93.1	Very high	87.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	147.6	174.6	0	0	0	0	0	114.1	L221 L236 K327	G219-L221 WeakPolarHBondContact O-CD1 3.47Å; G219-L236 PolarHBondContact N-O 2.79Å; G219-L236 PolarHBondContact O-N 2.85Å; G219-K327 WeakPolarHBondContact CA-O 3.25Å
220	I	94	Very high	86.8	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.4	177.1	-65.1	152.4	0	0	0	110.6	H223 T233 E235 G313 G314 I315 R326 K327 F329	I220-H223 HydrophobicContact CG2-CB 4.15Å; I220-T233 HydrophobicContact CG2-CG2 4.07Å; I220-E235 HydrophobicContact CG1-CB 4.49Å; I220-E235 HydrophobicContact CG1-CG 3.96Å; I220-G313 CarbonylContact O-C 3.59Å; I220-G313 VanDerWaalsContact O-C 3.28Å; I220-G314 PolarHBondContact O-N 3.03Å; I220-I315 HydrophobicContact CD1-CD1 3.49Å; I220-I315 VanDerWaalsContact CD1-CD1 3.49Å; I220-I315 HydrophobicContact CD1-CG1 3.82Å; I220-I315 HydrophobicContact CG1-CD1 4.48Å; I220-I315 HydrophobicContact CG2-CG1 4.14Å; I220-R326 HydrophobicContact CD1-CB 3.55Å; I220-R326 HydrophobicContact CD1-CG 4.49Å; I220-R326 HydrophobicContact CG1-CB 4.41Å; I220-K327 PolarHBondContact N-O 2.89Å; I220-F329 WeakPolarHBondContact O-CB 3.13Å
221	L	95.2	Very high	86.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-44.8	179.6	-81.6	72.6	0	0	0	111.4	L210 F212 G219 L234 L236 L241 F312 G313 F329 L333	L210-L221 HydrophobicContact CD1-CD2 4.4Å; F212-L221 HydrophobicContact CB-CD2 3.87Å; F212-L221 HydrophobicContact CD1-CD2 3.82Å; F212-L221 HydrophobicContact CD2-CD2 4.1Å; F212-L221 HydrophobicContact CE1-CD2 4.35Å; F212-L221 HydrophobicContact CG-CD2 3.66Å; G219-L221 WeakPolarHBondContact O-CD1 3.47Å; L221-L234 HydrophobicContact CB-CB 4.45Å; L221-L234 HydrophobicContact CB-CD2 4.16Å; L221-L234 HydrophobicContact CB-CG 4.41Å; L221-L234 HydrophobicContact CD2-CD2 4.14Å; L221-L234 PolarHBondContact N-O 2.78Å; L221-L236 HydrophobicContact CD1-CB 3.84Å; L221-L241 HydrophobicContact CD1-CD1 4.25Å; L221-L241 HydrophobicContact CD2-CD1 4.08Å; L221-F312 CarbonylContact O-C 3.45Å; L221-F312 VanDerWaalsContact O-CA 3.3Å; L221-F312 WeakPolarHBondContact O-CA 3.33Å; L221-G313 PolarHBondContact O-N 2.93Å; L221-F329 HydrophobicContact CD1-CD2 3.51Å; L221-F329 HydrophobicContact CD1-CE2 3.78Å; L221-F329 HydrophobicContact CD1-CG 4.21Å; L221-F329 HydrophobicContact CG-CD2 3.89Å; L221-F329 HydrophobicContact CG-CE2 4Å; L221-F329 HydrophobicContact CG-CG 4.22Å; L221-F329 HydrophobicContact CG-CZ 4.43Å; L221-L333 HydrophobicContact CD2-CD2 4.38Å
222	L	94.4	Very high	85.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.5	175.2	73.6	92	0	0	0	111.5	I208 L210 I232 T233 L234 I277 I310 S311 F312	I208-L222 HydrophobicContact CD1-CD1 4.41Å; I208-L222 HydrophobicContact CD1-CD2 4.28Å; I208-L222 HydrophobicContact CG2-CD2 4.01Å; L210-L222 HydrophobicContact CD2-CD2 4.47Å; L222-I232 HydrophobicContact CD1-CG2 4.16Å; L222-T233 WeakPolarHBondContact O-CA 3.28Å; L222-L234 HydrophobicContact CD1-CB 4.28Å; L222-L234 HydrophobicContact CD2-CB 3.79Å; L222-L234 HydrophobicContact CD2-CD2 3.89Å; L222-L234 HydrophobicContact CG-CB 3.57Å; L222-L234 PolarHBondContact N-O 2.96Å; L222-L234 PolarHBondContact O-N 3.31Å; L222-I277 HydrophobicContact CD2-CD1 4.44Å; L222-I310 HydrophobicContact CD1-CD1 4.31Å; L222-S311 CarbonylContact C-O 3.58Å; L222-S311 VanDerWaalsContact CA-O 3.22Å; L222-S311 WeakPolarHBondContact CA-O 3.5Å; L222-F312 HydrophobicContact CB-CD1 3.61Å; L222-F312 HydrophobicContact CB-CE1 3.77Å; L222-F312 HydrophobicContact CD2-CE1 4.38Å
223	H	91.7	Very high	85.4	Confident	20 Å²	20	35.7 Å²	35.7	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.9	173.4	179.9	70.8	0	0	0	111.4	I220 I232 T233 S311 I315	I220-H223 HydrophobicContact CG2-CB 4.15Å; H223-I232 CarbonylContact C-O 3.59Å; H223-I232 WeakPolarHBondContact CA-O 3.22Å; H223-T233 PolarHBondContact ND1-OG1 2.81Å; H223-S311 PolarHBondContact N-O 3.35Å; H223-S311 PolarHBondContact O-N 3.44Å; H223-S311 PolarHBondContact O-OG 3.35Å; H223-I315 HydrophobicContact CB-CD1 4.19Å; H223-I315 HydrophobicContact CB-CG1 3.6Å
224	R	87.5	Confident	85.4	Confident	18 Å²	18	34.8 Å²	34.8	7%	0.068	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.2	174.1	-175.9	170.5	-180	-147.8	-6.8	108.8	D206 H231 I232 L306 N307 E309 I310 Y338	D206-R224 IonicContact OD2-NH1 3.6Å; D206-R224 PolarHBondContact OD2-NH1 3.06Å; R224-H231 CarbonylContact O-C 3.53Å; R224-H231 WeakPolarHBondContact O-CA 3.19Å; R224-H231 WeakPolarHBondContact O-CB 3.39Å; R224-I232 PolarHBondContact N-O 2.83Å; R224-I232 PolarHBondContact O-N 2.77Å; R224-L306 HydrophobicContact CG-CB 4.09Å; R224-L306 HydrophobicContact CG-CD1 4.33Å; R224-L306 HydrophobicContact CG-CD2 4.35Å; R224-L306 HydrophobicContact CG-CG 4.5Å; R224-L306 VanDerWaalsContact CZ-CB 3.44Å; R224-L306 PolarHBondContact NH2-O 2.78Å; R224-N307 VanDerWaalsContact CZ-O 3.31Å; R224-N307 PolarHBondContact NE-O 3.35Å; R224-N307 PolarHBondContact NH2-O 3.4Å; R224-E309 WeakPolarHBondContact CG-O 3.5Å; R224-I310 HydrophobicContact CB-CB 4.33Å; R224-I310 HydrophobicContact CB-CD1 4.37Å; R224-I310 HydrophobicContact CB-CG1 4.12Å; R224-I310 HydrophobicContact CG-CB 4.42Å; R224-Y338 PolarHBondContact NH1-OH 3.04Å
225	E	83.8	Confident	85.5	Confident	108 Å²	108	35.5 Å²	35.5	51%	0.505	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.7	178	-170.1	171.4	-165.1	0	0	110.9	N230 N307	E225-N230 CarbonylContact C-O 3.54Å; E225-N307 WeakPolarHBondContact O-CB 3.34Å; E225-N307 PolarHBondContact O-N 2.62Å; E225-N307 PolarHBondContact O-ND2 2.8Å
226	G	75.4	Confident	85.7	Confident	4 Å²	4	33.1 Å²	33.1	4%	0.041	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-119.2	169.4	176.8	0	0	0	0	0	113.2	H228 G229 N230 D305	G226-H228 PolarHBondContact O-N 2.95Å; G226-G229 PolarHBondContact O-N 2.89Å; G226-N230 WeakPolarHBondContact CA-O 3.29Å; G226-N230 PolarHBondContact N-O 3.1Å; G226-D305 WeakPolarHBondContact CA-O 3.19Å
227	Q	66.2	Low	85.8	Confident	147 Å²	147	31.7 Å²	31.7	69%	0.687	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.5	-171.5	-58.4	-169.5	-6.2	0	0	114.1	D305 N307	Q227-D305 PolarHBondContact N-O 2.97Å; Q227-N307 WeakPolarHBondContact CG-OD1 3.36Å
228	H	65.4	Low	85.8	Confident	133 Å²	133	36.1 Å²	36.1	62%	0.616	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	22.9	-172.8	-60.7	101.2	0	0	0	113.8	G226 N230 D305	G226-H228 PolarHBondContact O-N 2.95Å; H228-N230 PolarHBondContact O-N 2.96Å; H228-D305 IonicContact CE1-OD2 3.61Å; H228-D305 PolarHBondContact CE1-OD2 3.4Å; H228-D305 IonicContact ND1-OD2 2.71Å; H228-D305 PolarHBondContact ND1-OD2 3.19Å
229	G	67.6	Low	85.7	Confident	34 Å²	34	33.8 Å²	33.8	35%	0.351	17%	0.166	S	C	.	.	S	Bend	trans	80	3.9	-177.1	0	0	0	0	0	114.4	G226 H231 N246	G226-G229 PolarHBondContact O-N 2.89Å; G229-H231 PolarHBondContact O-ND1 3.16Å; G229-N246 PolarHBondContact O-ND2 2.83Å
230	N	74.3	Confident	85.6	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.032	18%	0.184	C	C	.	.			trans	-61.2	132.9	168	-64.5	-17.7	0	0	0	108.8	E225 G226 H228 N246 S247 G248 D305 L306	E225-N230 CarbonylContact C-O 3.54Å; G226-N230 WeakPolarHBondContact CA-O 3.29Å; G226-N230 PolarHBondContact N-O 3.1Å; H228-N230 PolarHBondContact O-N 2.96Å; N230-N246 VanDerWaalsContact CA-O 3.27Å; N230-N246 WeakPolarHBondContact CA-O 3.37Å; N230-S247 PolarHBondContact OD1-O 3.26Å; N230-G248 WeakPolarHBondContact OD1-CA 3.33Å; N230-G248 PolarHBondContact OD1-N 2.87Å; N230-D305 PolarHBondContact ND2-N 3.09Å; N230-L306 HydrophobicContact CB-CD2 4.13Å
231	H	83.4	Confident	85.6	Confident	47 Å²	47	37.6 Å²	37.6	22%	0.218	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.8	174.4	61.9	-90.3	0	0	0	111.7	R224 G229 T233 N246	R224-H231 CarbonylContact O-C 3.53Å; R224-H231 WeakPolarHBondContact O-CA 3.19Å; R224-H231 WeakPolarHBondContact O-CB 3.39Å; G229-H231 PolarHBondContact O-ND1 3.16Å; H231-T233 PolarHBondContact CD2-OG1 2.84Å; H231-N246 VanDerWaalsContact CE1-CB 3.43Å; H231-N246 WeakPolarHBondContact CE1-CB 3.18Å; H231-N246 PolarHBondContact N-O 3.03Å; H231-N246 PolarHBondContact O-N 2.61Å
232	I	87	Confident	85.5	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	167.5	-61	-177	0	0	0	106.8	L222 H223 R224 F243 F244 L245 L279 L304 L306	L222-I232 HydrophobicContact CD1-CG2 4.16Å; H223-I232 CarbonylContact C-O 3.59Å; H223-I232 WeakPolarHBondContact CA-O 3.22Å; R224-I232 PolarHBondContact N-O 2.83Å; R224-I232 PolarHBondContact O-N 2.77Å; I232-F243 HydrophobicContact CG2-CD2 4.39Å; I232-F243 HydrophobicContact CG2-CE2 3.35Å; I232-F243 HydrophobicContact CG2-CZ 3.67Å; I232-F244 WeakPolarHBondContact CA-O 3.21Å; I232-L245 HydrophobicContact CD1-CD1 4.1Å; I232-L245 HydrophobicContact CG1-CD1 3.66Å; I232-L279 HydrophobicContact CD1-CD1 3.62Å; I232-L304 HydrophobicContact CD1-CD2 4.26Å; I232-L304 HydrophobicContact CG1-CD2 4.03Å; I232-L306 HydrophobicContact CD1-CD1 3.4Å; I232-L306 VanDerWaalsContact CD1-CD1 3.4Å; I232-L306 HydrophobicContact CG1-CD1 3.77Å; I232-L306 HydrophobicContact CG1-CD2 4.45Å
233	T	90.1	Very high	85.3	Confident	2 Å²	2	38 Å²	38	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.1	176	-50.8	0	0	0	0	109.7	I220 L222 H223 H231 E235 F244	I220-T233 HydrophobicContact CG2-CG2 4.07Å; L222-T233 WeakPolarHBondContact O-CA 3.28Å; H223-T233 PolarHBondContact ND1-OG1 2.81Å; H231-T233 PolarHBondContact CD2-OG1 2.84Å; T233-E235 HydrophobicContact CG2-CB 4.47Å; T233-F244 PolarHBondContact N-O 2.78Å; T233-F244 PolarHBondContact O-N 3.41Å
234	L	94.1	Very high	85.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.5	165.6	-169.5	68.5	0	0	0	108.3	L221 L222 L241 F243 V275 I277 F286	L221-L234 HydrophobicContact CB-CB 4.45Å; L221-L234 HydrophobicContact CB-CD2 4.16Å; L221-L234 HydrophobicContact CB-CG 4.41Å; L221-L234 HydrophobicContact CD2-CD2 4.14Å; L221-L234 PolarHBondContact N-O 2.78Å; L222-L234 HydrophobicContact CD1-CB 4.28Å; L222-L234 HydrophobicContact CD2-CB 3.79Å; L222-L234 HydrophobicContact CD2-CD2 3.89Å; L222-L234 HydrophobicContact CG-CB 3.57Å; L222-L234 PolarHBondContact N-O 2.96Å; L222-L234 PolarHBondContact O-N 3.31Å; L234-L241 HydrophobicContact CD1-CD1 4.07Å; L234-L241 HydrophobicContact CD1-CD2 3.82Å; L234-L241 HydrophobicContact CD1-CG 3.64Å; L234-L241 HydrophobicContact CD2-CD1 4.29Å; L234-L241 HydrophobicContact CD2-CD2 4.15Å; L234-L241 HydrophobicContact CD2-CG 4.47Å; L234-L241 HydrophobicContact CG-CD1 3.88Å; L234-L241 HydrophobicContact CG-CD2 4.22Å; L234-L241 HydrophobicContact CG-CG 4.03Å; L234-F243 HydrophobicContact CD1-CB 4.17Å; L234-F243 HydrophobicContact CD1-CD2 4.13Å; L234-V275 HydrophobicContact CD2-CG1 4.02Å; L234-I277 HydrophobicContact CD1-CD1 4.16Å; L234-I277 HydrophobicContact CD2-CD1 4.16Å; L234-F286 HydrophobicContact CD1-CE2 3.89Å; L234-F286 HydrophobicContact CD1-CZ 3.87Å
235	E	94.4	Very high	84.9	Confident	15 Å²	15	38.2 Å²	38.2	7%	0.07	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.8	-175.5	-168.8	174.6	177.6	0	0	110.3	I220 T233 I237 V242 F244 R326	I220-E235 HydrophobicContact CG1-CB 4.49Å; I220-E235 HydrophobicContact CG1-CG 3.96Å; T233-E235 HydrophobicContact CG2-CB 4.47Å; E235-I237 HydrophobicContact CB-CD1 4.43Å; E235-I237 HydrophobicContact CB-CG1 4.2Å; E235-I237 HydrophobicContact CG-CD1 4.12Å; E235-I237 HydrophobicContact CG-CG1 3.67Å; E235-V242 PolarHBondContact N-O 2.95Å; E235-V242 PolarHBondContact O-N 2.97Å; E235-F244 HydrophobicContact CB-CE2 4.11Å; E235-R326 WeakPolarHBondContact OE2-CD 3.37Å; E235-R326 IonicContact OE2-CZ 3.01Å; E235-R326 IonicContact OE2-NE 3.5Å; E235-R326 IonicContact OE2-NH1 3.61Å; E235-R326 PolarHBondContact OE2-NH1 2.91Å
236	L	94.7	Very high	84.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.9	164.6	-171.8	71	0	0	0	107.5	F212 A214 Q216 N218 G219 L221 K240 L241 L267	F212-L236 HydrophobicContact CE2-CD1 4.26Å; F212-L236 HydrophobicContact CZ-CD1 4.4Å; A214-L236 HydrophobicContact CB-CD2 3.49Å; A214-L236 VanDerWaalsContact CB-CD2 3.49Å; Q216-L236 VanDerWaalsContact O-CD2 3.28Å; Q216-L236 WeakPolarHBondContact O-CD2 3.41Å; N218-L236 CarbonylContact C-O 3.55Å; N218-L236 WeakPolarHBondContact CA-O 3.42Å; G219-L236 PolarHBondContact N-O 2.79Å; G219-L236 PolarHBondContact O-N 2.85Å; L221-L236 HydrophobicContact CD1-CB 3.84Å; L236-K240 CarbonylContact C-O 3.53Å; L236-K240 WeakPolarHBondContact CA-O 3.3Å; L236-L241 HydrophobicContact CD1-CD1 4.43Å; L236-L267 HydrophobicContact CD1-CB 4.04Å; L236-L267 HydrophobicContact CD1-CD1 4.42Å
237	I	91.4	Very high	84	Confident	50 Å²	50	38.5 Å²	38.5	26%	0.256	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.7	178.2	-56.8	-177.9	0	0	0	107.8	S217 N218 E235 G239 K240 V242 F244	S217-I237 CarbonylContact O-C 3.6Å; N218-I237 WeakPolarHBondContact OD1-CA 3.17Å; E235-I237 HydrophobicContact CB-CD1 4.43Å; E235-I237 HydrophobicContact CB-CG1 4.2Å; E235-I237 HydrophobicContact CG-CD1 4.12Å; E235-I237 HydrophobicContact CG-CG1 3.67Å; I237-G239 PolarHBondContact O-N 3.36Å; I237-K240 PolarHBondContact N-O 3.2Å; I237-K240 WeakPolarHBondContact O-CB 3.5Å; I237-K240 PolarHBondContact O-N 2.9Å; I237-V242 HydrophobicContact CB-CG2 4.08Å; I237-V242 HydrophobicContact CD1-CB 4.15Å; I237-V242 HydrophobicContact CD1-CG2 3.96Å; I237-V242 HydrophobicContact CG1-CB 4.49Å; I237-V242 HydrophobicContact CG1-CG2 4.1Å; I237-F244 HydrophobicContact CD1-CE2 4.11Å; I237-F244 HydrophobicContact CD1-CZ 4Å
238	K	87.4	Confident	83.4	Confident	119 Å²	119	32.3 Å²	32.3	52%	0.517	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	40	178.7	-64.8	-170.4	176.2	-167.8	0	113.3	S217 N218 K240 Q452	S217-K238 WeakPolarHBondContact O-CA 3.39Å; S217-K238 PolarHBondContact O-N 2.85Å; N218-K238 PolarHBondContact OD1-N 2.86Å; K238-K240 VanDerWaalsContact C-N 3.29Å; K238-K240 PolarHBondContact O-N 2.94Å; K238-Q452 HydrophobicContact CD-CG 4.41Å; K238-Q452 VanDerWaalsContact CG-OE1 3.29Å
239	G	88.4	Confident	82.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	14.3	-178.1	0	0	0	0	0	115	S217 I237 S265 L266 L267	S217-G239 PolarHBondContact O-N 3.44Å; I237-G239 PolarHBondContact O-N 3.36Å; G239-S265 CarbonylContact O-C 3.56Å; G239-L266 PolarHBondContact O-N 3.2Å; G239-L267 PolarHBondContact O-N 2.92Å
240	K	91.6	Very high	81.6	Confident	83 Å²	83	35.5 Å²	35.5	36%	0.361	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.9	173.4	-56.7	-177.2	179.4	178.7	0	109.9	L236 I237 K238 T262	L236-K240 CarbonylContact C-O 3.53Å; L236-K240 WeakPolarHBondContact CA-O 3.3Å; I237-K240 PolarHBondContact N-O 3.2Å; I237-K240 WeakPolarHBondContact O-CB 3.5Å; I237-K240 PolarHBondContact O-N 2.9Å; K238-K240 VanDerWaalsContact C-N 3.29Å; K238-K240 PolarHBondContact O-N 2.94Å; K240-T262 HydrophobicContact CB-CG2 3.73Å; K240-T262 HydrophobicContact CD-CG2 3.91Å; K240-T262 HydrophobicContact CG-CG2 4.42Å
241	L	94.5	Very high	80.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.2	-179.2	-160.4	66.6	0	0	0	109.9	F212 L221 L234 L236 T262 L263 L267 V275 F286 V288	F212-L241 HydrophobicContact CE1-CD1 4.37Å; F212-L241 HydrophobicContact CE1-CD2 4.1Å; F212-L241 HydrophobicContact CZ-CD1 4.3Å; L221-L241 HydrophobicContact CD1-CD1 4.25Å; L221-L241 HydrophobicContact CD2-CD1 4.08Å; L234-L241 HydrophobicContact CD1-CD1 4.07Å; L234-L241 HydrophobicContact CD1-CD2 3.82Å; L234-L241 HydrophobicContact CD1-CG 3.64Å; L234-L241 HydrophobicContact CD2-CD1 4.29Å; L234-L241 HydrophobicContact CD2-CD2 4.15Å; L234-L241 HydrophobicContact CD2-CG 4.47Å; L234-L241 HydrophobicContact CG-CD1 3.88Å; L234-L241 HydrophobicContact CG-CD2 4.22Å; L234-L241 HydrophobicContact CG-CG 4.03Å; L236-L241 HydrophobicContact CD1-CD1 4.43Å; L241-T262 CarbonylContact O-C 3.57Å; L241-T262 WeakPolarHBondContact O-CA 3.45Å; L241-L263 WeakPolarHBondContact CB-O 2.94Å; L241-L263 PolarHBondContact N-O 3.21Å; L241-L263 PolarHBondContact O-N 3.18Å; L241-L267 HydrophobicContact CB-CD1 3.67Å; L241-V275 HydrophobicContact CD2-CB 4.47Å; L241-V275 HydrophobicContact CD2-CG1 4.11Å; L241-V275 HydrophobicContact CD2-CG2 3.47Å; L241-V275 VanDerWaalsContact CD2-CG2 3.47Å; L241-F286 HydrophobicContact CB-CZ 4.31Å; L241-F286 HydrophobicContact CD2-CE2 4Å; L241-F286 HydrophobicContact CD2-CZ 3.76Å; L241-F286 HydrophobicContact CG-CZ 4Å; L241-V288 HydrophobicContact CB-CG2 4.44Å; L241-V288 HydrophobicContact CD2-CG2 3.72Å
242	V	92.3	Very high	78.1	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.9	-176.7	-170.3	0	0	0	0	109.7	E235 I237 F244 T260 L261 T262	E235-V242 PolarHBondContact N-O 2.95Å; E235-V242 PolarHBondContact O-N 2.97Å; I237-V242 HydrophobicContact CB-CG2 4.08Å; I237-V242 HydrophobicContact CD1-CB 4.15Å; I237-V242 HydrophobicContact CD1-CG2 3.96Å; I237-V242 HydrophobicContact CG1-CB 4.49Å; I237-V242 HydrophobicContact CG1-CG2 4.1Å; V242-F244 HydrophobicContact CB-CE2 3.92Å; V242-F244 HydrophobicContact CB-CZ 4.17Å; V242-F244 HydrophobicContact CG1-CD1 4.43Å; V242-F244 HydrophobicContact CG1-CD2 4.1Å; V242-F244 HydrophobicContact CG1-CE1 3.88Å; V242-F244 HydrophobicContact CG1-CE2 3.51Å; V242-F244 HydrophobicContact CG1-CZ 3.38Å; V242-T260 HydrophobicContact CG1-CG2 3.5Å; V242-T260 VanDerWaalsContact CG1-CG2 3.5Å; V242-L261 CarbonylContact C-O 3.49Å; V242-L261 WeakPolarHBondContact CA-O 3.33Å; V242-T262 HydrophobicContact CG2-CG2 4.1Å
243	F	90.9	Very high	75.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.2	174	-176.8	-108.1	0	0	0	109.7	I232 L234 L245 T260 L261 I277 L279 V284 F286 F295	I232-F243 HydrophobicContact CG2-CD2 4.39Å; I232-F243 HydrophobicContact CG2-CE2 3.35Å; I232-F243 HydrophobicContact CG2-CZ 3.67Å; L234-F243 HydrophobicContact CD1-CB 4.17Å; L234-F243 HydrophobicContact CD1-CD2 4.13Å; F243-L245 HydrophobicContact CE1-CB 3.98Å; F243-T260 WeakPolarHBondContact O-CA 3.39Å; F243-L261 HydrophobicContact CB-CB 4.47Å; F243-L261 PolarHBondContact N-O 3.48Å; F243-L261 PolarHBondContact O-N 2.74Å; F243-I277 HydrophobicContact CD2-CD1 3.94Å; F243-I277 HydrophobicContact CE2-CD1 3.91Å; F243-I277 HydrophobicContact CE2-CG2 4.04Å; F243-I277 HydrophobicContact CZ-CG2 4.07Å; F243-L279 HydrophobicContact CZ-CD2 4.19Å; F243-V284 HydrophobicContact CE1-CG1 4.13Å; F243-F286 HydrophobicContact CB-CD1 4.08Å; F243-F286 HydrophobicContact CB-CE1 3.89Å; F243-F286 HydrophobicContact CB-CG 4.5Å; F243-F286 HydrophobicContact CB-CZ 4.12Å; F243-F295 HydrophobicContact CE1-CZ 4.42Å
244	F	87.3	Confident	73.5	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	176.4	-61.6	-83.1	0	0	0	109.6	I232 T233 E235 I237 V242 T260	I232-F244 WeakPolarHBondContact CA-O 3.21Å; T233-F244 PolarHBondContact N-O 2.78Å; T233-F244 PolarHBondContact O-N 3.41Å; E235-F244 HydrophobicContact CB-CE2 4.11Å; I237-F244 HydrophobicContact CD1-CE2 4.11Å; I237-F244 HydrophobicContact CD1-CZ 4Å; V242-F244 HydrophobicContact CB-CE2 3.92Å; V242-F244 HydrophobicContact CB-CZ 4.17Å; V242-F244 HydrophobicContact CG1-CD1 4.43Å; V242-F244 HydrophobicContact CG1-CD2 4.1Å; V242-F244 HydrophobicContact CG1-CE1 3.88Å; V242-F244 HydrophobicContact CG1-CE2 3.51Å; V242-F244 HydrophobicContact CG1-CZ 3.38Å; F244-T260 HydrophobicContact CD1-CG2 3.86Å; F244-T260 HydrophobicContact CE1-CG2 3.49Å; F244-T260 VanDerWaalsContact CE1-CG2 3.49Å; F244-T260 HydrophobicContact CZ-CG2 4.22Å
245	L	83.7	Confident	71	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.042	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.2	172.6	-177.6	67.6	0	0	0	109.2	I232 F243 V259 V284 F295 A297 L304	I232-L245 HydrophobicContact CD1-CD1 4.1Å; I232-L245 HydrophobicContact CG1-CD1 3.66Å; F243-L245 HydrophobicContact CE1-CB 3.98Å; L245-V259 HydrophobicContact CB-CB 4.37Å; L245-V259 PolarHBondContact N-O 2.93Å; L245-V259 PolarHBondContact O-N 2.94Å; L245-V259 VanDerWaalsContact O-N 3.11Å; L245-V284 HydrophobicContact CD2-CG2 4.28Å; L245-F295 HydrophobicContact CD2-CZ 4.5Å; L245-A297 HydrophobicContact CD2-CB 4.11Å; L245-L304 HydrophobicContact CD1-CD1 3.81Å; L245-L304 HydrophobicContact CD1-CD2 3.55Å; L245-L304 HydrophobicContact CD1-CG 4.32Å
246	N	75.6	Confident	68.9	Low	47 Å²	47	69.6 Å²	69.6	25%	0.251	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.9	172.9	-171.5	9.8	0	0	0	110.4	G229 N230 H231 G248	G229-N246 PolarHBondContact O-ND2 2.83Å; N230-N246 VanDerWaalsContact CA-O 3.27Å; N230-N246 WeakPolarHBondContact CA-O 3.37Å; H231-N246 VanDerWaalsContact CE1-CB 3.43Å; H231-N246 WeakPolarHBondContact CE1-CB 3.18Å; H231-N246 PolarHBondContact N-O 3.03Å; H231-N246 PolarHBondContact O-N 2.61Å; N246-G248 PolarHBondContact OD1-N 2.86Å; N246-G248 VanDerWaalsContact OD1-N 3.09Å
247	S	64.1	Low	66.9	Low	71 Å²	71	73.4 Å²	73.4	50%	0.497	42%	0.421	S	S	.	.			trans	-99.7	4.4	179.3	-168.9	0	0	0	0	114	N230	N230-S247 PolarHBondContact OD1-O 3.26Å
248	G	54	Low	65.4	Low	17 Å²	17	75 Å²	75	18%	0.175	44%	0.435	C	S	.	.			trans	62.7	109.1	164.6	0	0	0	0	0	116.3	N230 N246	N230-G248 WeakPolarHBondContact OD1-CA 3.33Å; N230-G248 PolarHBondContact OD1-N 2.87Å; N246-G248 PolarHBondContact OD1-N 2.86Å; N246-G248 VanDerWaalsContact OD1-N 3.09Å
249	N	49.3	Very low	64.7	Low	133 Å²	133	71.5 Å²	71.5	71%	0.711	42%	0.423	S	S	*	.			trans	-161.7	74.8	155.7	-99.7	-27	0	0	0	109.9	S254	N249-S254 WeakPolarHBondContact O-CB 3.27Å; N249-S254 PolarHBondContact O-OG 2.86Å
250	A	44.4	Very low	64.4	Low	101 Å²	101	74.9 Å²	74.9	84%	0.835	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	13.6	-178.3	0	0	0	0	0	114.7
251	K	42.6	Very low	64	Low	209 Å²	209	72.7 Å²	72.7	91%	0.909	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-0.9	-178	-78.7	-173.8	177.5	179	0	115.9
252	L	42.6	Very low	63.8	Low	143 Å²	143	76.2 Å²	76.2	75%	0.749	46%	0.458	S	S	*	.	S	Bend	trans	-121.1	162.9	161.3	-116.2	75.4	0	0	0	107.2	S254	L252-S254 PolarHBondContact O-N 3.34Å
253	P	41.3	Very low	63.7	Low	126 Å²	126	76.3 Å²	76.3	82%	0.818	46%	0.458	S	S	*	.			trans	-65.6	84.6	170.8	28.3	-29.5	0	0	0	107.9	T255	P253-T255 PolarHBondContact O-N 2.88Å
254	S	39.2	Very low	63.5	Low	60 Å²	60	78 Å²	78	42%	0.42	48%	0.476	S	S	.	.			trans	-80.4	117.9	-172.4	43.3	0	0	0	0	109.1	N249 L252 I256	N249-S254 WeakPolarHBondContact O-CB 3.27Å; N249-S254 PolarHBondContact O-OG 2.86Å; L252-S254 PolarHBondContact O-N 3.34Å; S254-I256 PolarHBondContact O-N 2.89Å; S254-I256 VanDerWaalsContact O-N 3.17Å
255	T	41.8	Very low	63.4	Low	145 Å²	145	79.5 Å²	79.5	89%	0.89	49%	0.49	S	S	*	.			trans	-74.4	12.9	176.3	41.9	0	0	0	0	113.5	P253	P253-T255 PolarHBondContact O-N 2.88Å
256	I	49.8	Very low	63.5	Low	108 Å²	108	82.7 Å²	82.7	55%	0.554	51%	0.506	S	S	*	.			trans	-112.2	102.3	-172.1	-53.6	176.5	0	0	0	109.5	S254	S254-I256 PolarHBondContact O-N 2.89Å; S254-I256 VanDerWaalsContact O-N 3.17Å
257	A	52.2	Low	64.3	Low	80 Å²	80	80.6 Å²	80.6	66%	0.661	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-67.1	144.7	174.9	0	0	0	0	0	111.5
258	P	61.7	Low	65.5	Low	84 Å²	84	77.9 Å²	77.9	55%	0.545	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-59	137.9	173.9	23.7	-32.3	0	0	0	111	T260	P258-T260 PolarHBondContact O-N 2.91Å
259	V	71.5	Confident	67	Low	44 Å²	44	78.6 Å²	78.6	27%	0.267	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.5	178.8	-176.7	0	0	0	0	108.3	L245 L261 F295	L245-V259 HydrophobicContact CB-CB 4.37Å; L245-V259 PolarHBondContact N-O 2.93Å; L245-V259 PolarHBondContact O-N 2.94Å; L245-V259 VanDerWaalsContact O-N 3.11Å; V259-L261 HydrophobicContact CG1-CD1 4.14Å; V259-L261 HydrophobicContact CG1-CG 4.16Å; V259-F295 HydrophobicContact CG1-CD2 4.13Å; V259-F295 HydrophobicContact CG1-CE2 3.63Å; V259-F295 HydrophobicContact CG1-CZ 4.09Å
260	T	81.4	Confident	68.8	Low	71 Å²	71	73.6 Å²	73.6	44%	0.436	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124	177.6	-56.8	0	0	0	0	108.5	V242 F243 F244 P258	V242-T260 HydrophobicContact CG1-CG2 3.5Å; V242-T260 VanDerWaalsContact CG1-CG2 3.5Å; F243-T260 WeakPolarHBondContact O-CA 3.39Å; F244-T260 HydrophobicContact CD1-CG2 3.86Å; F244-T260 HydrophobicContact CE1-CG2 3.49Å; F244-T260 VanDerWaalsContact CE1-CG2 3.49Å; F244-T260 HydrophobicContact CZ-CG2 4.22Å; P258-T260 PolarHBondContact O-N 2.91Å
261	L	84.1	Confident	71	Confident	37 Å²	37	69.9 Å²	69.9	19%	0.194	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.9	-179.6	-68.8	162.8	0	0	0	110.1	V242 F243 V259 F286 F295	V242-L261 CarbonylContact C-O 3.49Å; V242-L261 WeakPolarHBondContact CA-O 3.33Å; F243-L261 HydrophobicContact CB-CB 4.47Å; F243-L261 PolarHBondContact N-O 3.48Å; F243-L261 PolarHBondContact O-N 2.74Å; V259-L261 HydrophobicContact CG1-CD1 4.14Å; V259-L261 HydrophobicContact CG1-CG 4.16Å; L261-F286 HydrophobicContact CB-CD1 4.34Å; L261-F295 HydrophobicContact CD1-CD1 3.16Å; L261-F295 HydrophobicContact CD1-CD2 4.23Å; L261-F295 HydrophobicContact CD1-CE1 2.82Å; L261-F295 HydrophobicContact CD1-CE2 4.01Å; L261-F295 HydrophobicContact CD1-CG 3.84Å; L261-F295 HydrophobicContact CD1-CZ 3.3Å; L261-F295 HydrophobicContact CG-CD1 4.45Å; L261-F295 HydrophobicContact CG-CE1 4.27Å
262	T	90	Very high	73.4	Confident	75 Å²	75	61.5 Å²	61.5	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123	-179.1	-57	0	0	0	0	109	K240 L241 V242	K240-T262 HydrophobicContact CB-CG2 3.73Å; K240-T262 HydrophobicContact CD-CG2 3.91Å; K240-T262 HydrophobicContact CG-CG2 4.42Å; L241-T262 CarbonylContact O-C 3.57Å; L241-T262 WeakPolarHBondContact O-CA 3.45Å; V242-T262 HydrophobicContact CG2-CG2 4.1Å
263	L	90.6	Very high	75.9	Confident	11 Å²	11	55 Å²	55	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152	174.2	-68.6	-174.8	0	0	0	112.4	L241 F286 V288 H293	L241-L263 WeakPolarHBondContact CB-O 2.94Å; L241-L263 PolarHBondContact N-O 3.21Å; L241-L263 PolarHBondContact O-N 3.18Å; L263-F286 HydrophobicContact CB-CD1 4.24Å; L263-F286 HydrophobicContact CB-CE1 3.72Å; L263-F286 HydrophobicContact CB-CZ 4.29Å; L263-F286 HydrophobicContact CD1-CB 4.29Å; L263-F286 HydrophobicContact CD1-CD1 3.33Å; L263-F286 HydrophobicContact CD1-CE1 3.69Å; L263-F286 HydrophobicContact CD1-CG 3.81Å; L263-F286 HydrophobicContact CD1-CZ 4.43Å; L263-F286 WeakPolarHBondContact CD1-O 3.46Å; L263-F286 HydrophobicContact CG-CD1 3.67Å; L263-F286 HydrophobicContact CG-CE1 3.65Å; L263-V288 HydrophobicContact CB-CB 4.16Å; L263-V288 HydrophobicContact CB-CG2 3.67Å; L263-V288 HydrophobicContact CD1-CG2 4.16Å; L263-H293 HydrophobicContact CD1-CB 4.15Å; L263-H293 HydrophobicContact CD2-CB 4.23Å; L263-H293 WeakPolarHBondContact CD2-CD2 3.42Å
264	G	86.4	Confident	78.4	Confident	36 Å²	36	51.1 Å²	51.1	37%	0.371	32%	0.317	S	S	.	.			trans	69.6	170.7	-177.5	0	0	0	0	0	113.7
265	S	85.1	Confident	81.2	Confident	63 Å²	63	48.5 Å²	48.5	44%	0.441	30%	0.298	S	S	.	.	S	Bend	trans	-155.1	146.1	179.1	-174.5	0	0	0	0	108.1	G239 L267	G239-S265 CarbonylContact O-C 3.56Å; S265-L267 PolarHBondContact O-N 2.91Å
266	L	86.5	Confident	83.7	Confident	75 Å²	75	44.3 Å²	44.3	39%	0.393	27%	0.27	S	S	.	.			trans	58.3	32.4	-178.1	-48.5	175	0	0	0	113.3	G239 D268 D269 R399	G239-L266 PolarHBondContact O-N 3.2Å; L266-D268 WeakPolarHBondContact CA-OD1 3.28Å; L266-D268 PolarHBondContact O-N 2.87Å; L266-D268 VanDerWaalsContact O-N 3.11Å; L266-D269 WeakPolarHBondContact O-CB 3.49Å; L266-D269 PolarHBondContact O-N 2.87Å; L266-R399 VanDerWaalsContact CD2-CZ 3.49Å
267	L	91.3	Very high	85.8	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	4.7	179.9	-53.3	173.4	0	0	0	113.4	F212 L236 G239 L241 S265 H273 V288	F212-L267 HydrophobicContact CE2-CB 4.2Å; F212-L267 HydrophobicContact CZ-CB 3.84Å; F212-L267 HydrophobicContact CZ-CD1 4.03Å; F212-L267 HydrophobicContact CZ-CG 4.47Å; L236-L267 HydrophobicContact CD1-CB 4.04Å; L236-L267 HydrophobicContact CD1-CD1 4.42Å; G239-L267 PolarHBondContact O-N 2.92Å; L241-L267 HydrophobicContact CB-CD1 3.67Å; S265-L267 PolarHBondContact O-N 2.91Å; L267-H273 WeakPolarHBondContact CD2-ND1 3.12Å; L267-V288 HydrophobicContact CD1-CG1 4.12Å; L267-V288 HydrophobicContact CD2-CG1 4.25Å
268	D	89	Confident	87.6	Confident	13 Å²	13	37 Å²	37	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	28.1	173.2	64.8	-32.4	0	0	0	111.5	S217 L266 Q270 R399 W453	S217-D268 WeakPolarHBondContact CB-OD2 3.12Å; L266-D268 WeakPolarHBondContact CA-OD1 3.28Å; L266-D268 PolarHBondContact O-N 2.87Å; L266-D268 VanDerWaalsContact O-N 3.11Å; D268-Q270 PolarHBondContact O-N 3.4Å; D268-R399 IonicContact OD1-CZ 2.7Å; D268-R399 IonicContact OD1-NH1 3.87Å; D268-R399 PolarHBondContact OD1-NH1 3.45Å; D268-R399 IonicContact OD1-NH2 2.86Å; D268-R399 IonicContact OD2-NH1 3.71Å; D268-R399 PolarHBondContact OD2-NH1 3.17Å; D268-W453 PolarHBondContact OD2-NE1 2.81Å
269	D	86	Confident	88.7	Confident	33 Å²	33	33.9 Å²	33.9	18%	0.176	20%	0.199	C	C	.	.	S	Bend	trans	-84.4	6.3	179.8	72.8	-5.1	0	0	0	113.9	N119 L266 H271 H273	N119-D269 PolarHBondContact ND2-O 2.9Å; L266-D269 WeakPolarHBondContact O-CB 3.49Å; L266-D269 PolarHBondContact O-N 2.87Å; D269-H271 PolarHBondContact O-N 3.23Å; D269-H271 PolarHBondContact O-ND1 2.82Å; D269-H271 VanDerWaalsContact OD1-CB 3.31Å; D269-H271 WeakPolarHBondContact OD1-CB 3.43Å; D269-H271 IonicContact OD1-CG 3.94Å; D269-H271 PolarHBondContact OD1-N 3.15Å; D269-H271 IonicContact OD1-ND1 3.19Å; D269-H271 PolarHBondContact OD1-ND1 3.05Å; D269-H271 IonicContact OD2-CE1 2.64Å; D269-H271 IonicContact OD2-CG 2.81Å; D269-H271 IonicContact OD2-ND1 2.73Å; D269-H271 PolarHBondContact OD2-ND1 2.89Å; D269-H273 IonicContact OD1-CD2 3.77Å; D269-H273 IonicContact OD1-CE1 3.55Å; D269-H273 IonicContact OD1-NE2 2.88Å; D269-H273 PolarHBondContact OD1-NE2 3.29Å; D269-H273 IonicContact OD2-NE2 3.32Å
270	Q	87.9	Confident	89.1	Confident	27 Å²	27	34.3 Å²	34.3	13%	0.126	20%	0.199	C	C	.	.	S	Bend	trans	59.8	25.4	-176	-50.9	170.6	15.6	0	0	114.1	K213 M215 D268 T369	K213-Q270 WeakPolarHBondContact CD-O 3.48Å; K213-Q270 WeakPolarHBondContact CE-O 3.27Å; K213-Q270 PolarHBondContact NZ-O 3.21Å; M215-Q270 HydrophobicContact SD-CG 4.43Å; D268-Q270 PolarHBondContact O-N 3.4Å; Q270-T369 PolarHBondContact OE1-O 3.35Å
271	H	89.8	Confident	88.7	Confident	23 Å²	23	36.9 Å²	36.9	11%	0.106	21%	0.21	C	C	.	.	S	Bend	trans	-100.5	166.1	163.4	-61.7	102.7	0	0	0	111	N119 K121 D269 H273	N119-H271 PolarHBondContact ND2-CE1 3.12Å; N119-H271 VanDerWaalsContact ND2-CE1 3.3Å; N119-H271 PolarHBondContact ND2-NE2 3.48Å; N119-H271 PolarHBondContact OD1-CE1 3.41Å; N119-H271 PolarHBondContact OD1-NE2 2.76Å; K121-H271 HydrophobicContact CD-CB 4.45Å; D269-H271 PolarHBondContact O-N 3.23Å; D269-H271 PolarHBondContact O-ND1 2.82Å; D269-H271 VanDerWaalsContact OD1-CB 3.31Å; D269-H271 WeakPolarHBondContact OD1-CB 3.43Å; D269-H271 IonicContact OD1-CG 3.94Å; D269-H271 PolarHBondContact OD1-N 3.15Å; D269-H271 IonicContact OD1-ND1 3.19Å; D269-H271 PolarHBondContact OD1-ND1 3.05Å; D269-H271 IonicContact OD2-CE1 2.64Å; D269-H271 IonicContact OD2-CG 2.81Å; D269-H271 IonicContact OD2-ND1 2.73Å; D269-H271 PolarHBondContact OD2-ND1 2.89Å; H271-H273 PolarHBondContact O-CD2 2.76Å
272	W	92.9	Very high	88	Confident	34 Å²	34	36.8 Å²	36.8	13%	0.129	21%	0.211	C	C	.	.			trans	-75.8	134	170.8	-68	104.5	0	0	0	110.5	D115 V183 K211 F212 K213 C332 E334 C364	D115-W272 PolarHBondContact OD2-NE1 3.39Å; V183-W272 HydrophobicContact CG1-CH2 3.99Å; V183-W272 HydrophobicContact CG1-CZ2 4.47Å; V183-W272 HydrophobicContact CG2-CH2 4.31Å; V183-W272 HydrophobicContact CG2-CZ2 4.38Å; K211-W272 HydrophobicContact CB-CE3 3.99Å; F212-W272 VanDerWaalsContact C-CE3 3.47Å; F212-W272 CarbonylContact O-C 3.57Å; F212-W272 WeakPolarHBondContact O-CA 3.27Å; K213-W272 HydrophobicContact CB-CD2 3.87Å; K213-W272 HydrophobicContact CB-CE3 3.71Å; K213-W272 HydrophobicContact CB-CG 4.5Å; K213-W272 HydrophobicContact CB-CH2 4.25Å; K213-W272 HydrophobicContact CB-CZ2 4.38Å; K213-W272 HydrophobicContact CB-CZ3 3.91Å; W272-C332 HydrophobicContact CH2-CB 3.49Å; W272-C332 VanDerWaalsContact CH2-CB 3.49Å; W272-C332 HydrophobicContact CZ2-CB 4.24Å; W272-C332 HydrophobicContact CZ3-CB 4.08Å; W272-C332 WeakPolarHBondContact CZ3-O 3.39Å; W272-E334 HydrophobicContact CE3-CB 4Å; W272-E334 HydrophobicContact CH2-CB 3.59Å; W272-E334 HydrophobicContact CZ2-CB 4.28Å; W272-E334 HydrophobicContact CZ3-CB 3.43Å; W272-E334 VanDerWaalsContact CZ3-CB 3.43Å; W272-C364 HydrophobicContact CZ2-CB 4.46Å
273	H	94.8	Very high	87.5	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.032	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.5	172	-65.7	-77.3	0	0	0	109.8	K211 F212 L267 D269 H271 D289	K211-H273 CarbonylContact C-O 3.37Å; K211-H273 WeakPolarHBondContact CA-O 3.28Å; F212-H273 HydrophobicContact CD1-CB 4.09Å; F212-H273 HydrophobicContact CE1-CB 3.63Å; F212-H273 HydrophobicContact CZ-CB 3.9Å; F212-H273 PolarHBondContact N-O 3.17Å; F212-H273 PolarHBondContact O-N 3.11Å; L267-H273 WeakPolarHBondContact CD2-ND1 3.12Å; D269-H273 IonicContact OD1-CD2 3.77Å; D269-H273 IonicContact OD1-CE1 3.55Å; D269-H273 IonicContact OD1-NE2 2.88Å; D269-H273 PolarHBondContact OD1-NE2 3.29Å; D269-H273 IonicContact OD2-NE2 3.32Å; H271-H273 PolarHBondContact O-CD2 2.76Å; H273-D289 WeakPolarHBondContact CA-OD1 3.41Å; H273-D289 WeakPolarHBondContact CB-OD1 3.43Å; H273-D289 IonicContact CE1-OD2 3.57Å; H273-D289 IonicContact CG-OD1 3.61Å; H273-D289 IonicContact CG-OD2 3.84Å; H273-D289 IonicContact ND1-OD1 3.72Å; H273-D289 PolarHBondContact ND1-OD1 3Å; H273-D289 IonicContact ND1-OD2 3.05Å; H273-D289 PolarHBondContact ND1-OD2 2.85Å
274	S	95.2	Very high	87.2	Confident	44 Å²	44	38 Å²	38	31%	0.308	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.5	178.4	58.3	0	0	0	0	111.4	V288 D289	S274-V288 CarbonylContact O-C 3.19Å; S274-V288 WeakPolarHBondContact O-CA 3.23Å; S274-D289 PolarHBondContact N-OD1 2.79Å; S274-D289 PolarHBondContact O-N 3.11Å; S274-D289 WeakPolarHBondContact OG-CA 3.43Å; S274-D289 PolarHBondContact OG-O 3.29Å
275	V	96.8	Very high	87.4	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.8	176.6	-178	0	0	0	0	108.4	S209 L210 F212 L234 L241 I277 F286 T287	S209-V275 WeakPolarHBondContact CA-O 3.29Å; L210-V275 HydrophobicContact CD1-CB 3.95Å; L210-V275 HydrophobicContact CD1-CG2 4.04Å; L210-V275 HydrophobicContact CG-CB 4.24Å; L210-V275 PolarHBondContact N-O 2.89Å; L210-V275 PolarHBondContact O-N 2.85Å; F212-V275 HydrophobicContact CD1-CG2 3.65Å; F212-V275 HydrophobicContact CE1-CG2 3.6Å; L234-V275 HydrophobicContact CD2-CG1 4.02Å; L241-V275 HydrophobicContact CD2-CB 4.47Å; L241-V275 HydrophobicContact CD2-CG1 4.11Å; L241-V275 HydrophobicContact CD2-CG2 3.47Å; L241-V275 VanDerWaalsContact CD2-CG2 3.47Å; V275-I277 HydrophobicContact CG1-CD1 4.18Å; V275-I277 HydrophobicContact CG1-CG1 4.11Å; V275-F286 HydrophobicContact CG1-CE2 3.97Å; V275-T287 WeakPolarHBondContact CA-O 3.25Å
276	L	95.7	Very high	87.8	Confident	56 Å²	56	34.7 Å²	34.7	29%	0.293	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.7	170.9	173.4	67.4	0	0	0	108.6	V207 I208 E278 T287	V207-L276 HydrophobicContact CG1-CD1 3.84Å; I208-L276 WeakPolarHBondContact O-CA 3.47Å; L276-E278 HydrophobicContact CD1-CG 4.07Å; L276-E278 HydrophobicContact CD2-CG 4.31Å; L276-E278 HydrophobicContact CG-CG 4Å; L276-T287 PolarHBondContact N-O 3.03Å; L276-T287 PolarHBondContact O-N 2.78Å
277	I	92.9	Very high	88.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.1	174.8	-60.7	159.8	0	0	0	107	V207 I208 L222 L234 F243 V275 L279 N285 F286	V207-I277 WeakPolarHBondContact CA-O 3.38Å; I208-I277 HydrophobicContact CB-CB 4.32Å; I208-I277 PolarHBondContact N-O 3.03Å; I208-I277 PolarHBondContact O-N 2.68Å; L222-I277 HydrophobicContact CD2-CD1 4.44Å; L234-I277 HydrophobicContact CD1-CD1 4.16Å; L234-I277 HydrophobicContact CD2-CD1 4.16Å; F243-I277 HydrophobicContact CD2-CD1 3.94Å; F243-I277 HydrophobicContact CE2-CD1 3.91Å; F243-I277 HydrophobicContact CE2-CG2 4.04Å; F243-I277 HydrophobicContact CZ-CG2 4.07Å; V275-I277 HydrophobicContact CG1-CD1 4.18Å; V275-I277 HydrophobicContact CG1-CG1 4.11Å; I277-L279 HydrophobicContact CG2-CD1 4.3Å; I277-L279 HydrophobicContact CG2-CD2 4.41Å; I277-L279 HydrophobicContact CG2-CG 4.05Å; I277-N285 CarbonylContact C-O 3.55Å; I277-N285 WeakPolarHBondContact CA-O 3.21Å; I277-F286 HydrophobicContact CD1-CD2 4.46Å; I277-F286 HydrophobicContact CD1-CE2 4.45Å; I277-F286 HydrophobicContact CG1-CD2 3.69Å; I277-F286 HydrophobicContact CG1-CE2 4.1Å
278	E	90.4	Very high	88.3	Confident	34 Å²	34	32 Å²	32	16%	0.159	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.5	173.6	-46.8	178.3	96.3	0	0	108.7	R205 V207 L276 V284 N285	R205-E278 IonicContact CZ-OE1 3.86Å; R205-E278 IonicContact NH2-OE1 3.03Å; R205-E278 PolarHBondContact NH2-OE1 2.78Å; V207-E278 HydrophobicContact CG1-CG 4.47Å; L276-E278 HydrophobicContact CD1-CG 4.07Å; L276-E278 HydrophobicContact CD2-CG 4.31Å; L276-E278 HydrophobicContact CG-CG 4Å; E278-V284 CarbonylContact O-C 3.52Å; E278-V284 VanDerWaalsContact O-CA 3.27Å; E278-V284 WeakPolarHBondContact O-CA 3.25Å; E278-N285 HydrophobicContact CB-CB 4.1Å; E278-N285 HydrophobicContact CG-CB 4.4Å; E278-N285 PolarHBondContact N-O 3.41Å; E278-N285 PolarHBondContact O-N 2.83Å; E278-N285 PolarHBondContact OE2-ND2 2.73Å
279	L	85.3	Confident	88.4	Confident	20 Å²	20	34 Å²	34	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.9	178.8	-61.4	158.7	0	0	0	107.1	R205 D206 I232 F243 I277 V284	R205-L279 CarbonylContact C-O 3.45Å; R205-L279 VanDerWaalsContact CA-O 3.23Å; R205-L279 WeakPolarHBondContact CA-O 3.2Å; D206-L279 HydrophobicContact CB-CB 4.08Å; D206-L279 HydrophobicContact CB-CD1 3.94Å; D206-L279 PolarHBondContact N-O 2.94Å; D206-L279 PolarHBondContact O-N 2.86Å; I232-L279 HydrophobicContact CD1-CD1 3.62Å; F243-L279 HydrophobicContact CZ-CD2 4.19Å; I277-L279 HydrophobicContact CG2-CD1 4.3Å; I277-L279 HydrophobicContact CG2-CD2 4.41Å; I277-L279 HydrophobicContact CG2-CG 4.05Å; L279-V284 HydrophobicContact CD2-CB 4.05Å; L279-V284 HydrophobicContact CD2-CG1 3.57Å; L279-V284 HydrophobicContact CD2-CG2 3.5Å; L279-V284 VanDerWaalsContact CD2-CG2 3.5Å
280	L	79.6	Confident	88.3	Confident	52 Å²	52	37.7 Å²	37.7	27%	0.272	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	100.1	-178	-79	151.7	0	0	0	108.3	R205 T282 Q283	R205-L280 HydrophobicContact CB-CD2 3.81Å; R205-L280 HydrophobicContact CB-CG 4.46Å; R205-L280 HydrophobicContact CG-CD2 3.61Å; R205-L280 HydrophobicContact CG-CG 3.89Å; L280-T282 PolarHBondContact O-N 2.87Å; L280-Q283 HydrophobicContact CB-CB 4.42Å; L280-Q283 PolarHBondContact N-O 3.27Å; L280-Q283 PolarHBondContact O-N 3.01Å
281	D	72	Confident	88.4	Confident	126 Å²	126	43 Å²	43	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-94.6	-173.2	-61.1	-41.8	0	0	0	113.8
282	T	69.5	Low	88.3	Confident	34 Å²	34	44.6 Å²	44.6	21%	0.209	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-10.8	175.8	57.9	0	0	0	0	112.8	L280 Q296 A297	L280-T282 PolarHBondContact O-N 2.87Å; T282-Q296 CarbonylContact O-C 3.56Å; T282-Q296 WeakPolarHBondContact O-CA 3.41Å; T282-Q296 PolarHBondContact OG1-NE2 2.87Å; T282-A297 PolarHBondContact O-N 3.5Å
283	Q	79.4	Confident	88	Confident	109 Å²	109	47.9 Å²	47.9	51%	0.509	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.9	178.8	-66.2	-174.7	-9.8	0	0	110.1	L280	L280-Q283 HydrophobicContact CB-CB 4.42Å; L280-Q283 PolarHBondContact N-O 3.27Å; L280-Q283 PolarHBondContact O-N 3.01Å
284	V	85.3	Confident	87.6	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.1	178.1	-177.4	0	0	0	0	109	F243 L245 E278 L279 F295	F243-V284 HydrophobicContact CE1-CG1 4.13Å; L245-V284 HydrophobicContact CD2-CG2 4.28Å; E278-V284 CarbonylContact O-C 3.52Å; E278-V284 VanDerWaalsContact O-CA 3.27Å; E278-V284 WeakPolarHBondContact O-CA 3.25Å; L279-V284 HydrophobicContact CD2-CB 4.05Å; L279-V284 HydrophobicContact CD2-CG1 3.57Å; L279-V284 HydrophobicContact CD2-CG2 3.5Å; L279-V284 VanDerWaalsContact CD2-CG2 3.5Å; V284-F295 HydrophobicContact CB-CD1 3.77Å; V284-F295 HydrophobicContact CB-CD2 4.44Å; V284-F295 HydrophobicContact CB-CE1 3.15Å; V284-F295 HydrophobicContact CB-CE2 3.9Å; V284-F295 HydrophobicContact CB-CG 4.4Å; V284-F295 HydrophobicContact CB-CZ 3.25Å; V284-F295 HydrophobicContact CG1-CD1 4.15Å; V284-F295 HydrophobicContact CG1-CE1 3.2Å; V284-F295 HydrophobicContact CG1-CZ 3.48Å; V284-F295 VanDerWaalsContact CG1-CZ 3.48Å; V284-F295 HydrophobicContact CG2-CE1 3.93Å; V284-F295 HydrophobicContact CG2-CE2 3.77Å; V284-F295 HydrophobicContact CG2-CZ 3.44Å; V284-F295 VanDerWaalsContact CG2-CZ 3.44Å; V284-F295 PolarHBondContact N-O 2.87Å; V284-F295 WeakPolarHBondContact O-CD1 3.48Å; V284-F295 PolarHBondContact O-N 2.76Å
285	N	90.7	Very high	86.9	Confident	29 Å²	29	53.6 Å²	53.6	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.1	171.2	-59	-17	0	0	0	107.6	I277 E278 H294	I277-N285 CarbonylContact C-O 3.55Å; I277-N285 WeakPolarHBondContact CA-O 3.21Å; E278-N285 HydrophobicContact CB-CB 4.1Å; E278-N285 HydrophobicContact CG-CB 4.4Å; E278-N285 PolarHBondContact N-O 3.41Å; E278-N285 PolarHBondContact O-N 2.83Å; E278-N285 PolarHBondContact OE2-ND2 2.73Å; N285-H294 VanDerWaalsContact CG-ND1 3.29Å; N285-H294 PolarHBondContact OD1-ND1 2.94Å
286	F	92.5	Very high	85.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.9	174.8	178.9	-143.3	0	0	0	108.9	L234 L241 F243 L261 L263 V275 I277 V288 T292 H293	L234-F286 HydrophobicContact CD1-CE2 3.89Å; L234-F286 HydrophobicContact CD1-CZ 3.87Å; L241-F286 HydrophobicContact CB-CZ 4.31Å; L241-F286 HydrophobicContact CD2-CE2 4Å; L241-F286 HydrophobicContact CD2-CZ 3.76Å; L241-F286 HydrophobicContact CG-CZ 4Å; F243-F286 HydrophobicContact CB-CD1 4.08Å; F243-F286 HydrophobicContact CB-CE1 3.89Å; F243-F286 HydrophobicContact CB-CG 4.5Å; F243-F286 HydrophobicContact CB-CZ 4.12Å; L261-F286 HydrophobicContact CB-CD1 4.34Å; L263-F286 HydrophobicContact CB-CD1 4.24Å; L263-F286 HydrophobicContact CB-CE1 3.72Å; L263-F286 HydrophobicContact CB-CZ 4.29Å; L263-F286 HydrophobicContact CD1-CB 4.29Å; L263-F286 HydrophobicContact CD1-CD1 3.33Å; L263-F286 HydrophobicContact CD1-CE1 3.69Å; L263-F286 HydrophobicContact CD1-CG 3.81Å; L263-F286 HydrophobicContact CD1-CZ 4.43Å; L263-F286 WeakPolarHBondContact CD1-O 3.46Å; L263-F286 HydrophobicContact CG-CD1 3.67Å; L263-F286 HydrophobicContact CG-CE1 3.65Å; V275-F286 HydrophobicContact CG1-CE2 3.97Å; I277-F286 HydrophobicContact CD1-CD2 4.46Å; I277-F286 HydrophobicContact CD1-CE2 4.45Å; I277-F286 HydrophobicContact CG1-CD2 3.69Å; I277-F286 HydrophobicContact CG1-CE2 4.1Å; F286-V288 HydrophobicContact CD2-CG2 4.41Å; F286-V288 HydrophobicContact CE1-CG2 4.25Å; F286-V288 HydrophobicContact CE2-CG2 3.69Å; F286-V288 HydrophobicContact CZ-CG2 3.59Å; F286-T292 WeakPolarHBondContact O-CA 3.4Å; F286-H293 PolarHBondContact N-O 2.9Å; F286-H293 PolarHBondContact O-N 2.96Å
287	T	94.5	Very high	84.5	Confident	20 Å²	20	58.1 Å²	58.1	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.6	-178.8	-53	0	0	0	0	110.1	V275 L276 H291 T292	V275-T287 WeakPolarHBondContact CA-O 3.25Å; L276-T287 PolarHBondContact N-O 3.03Å; L276-T287 PolarHBondContact O-N 2.78Å; T287-H291 WeakPolarHBondContact CA-O 3.46Å; T287-T292 VanDerWaalsContact CG2-OG1 3.25Å; T287-T292 WeakPolarHBondContact CG2-OG1 3.34Å; T287-T292 WeakPolarHBondContact OG1-CB 3.38Å; T287-T292 VanDerWaalsContact OG1-CG2 3.23Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.5Å; T287-T292 PolarHBondContact OG1-OG1 2.8Å
288	V	94.8	Very high	82.8	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.7	170.5	-177.1	0	0	0	0	108.7	L241 L263 L267 S274 F286 K290 H291	L241-V288 HydrophobicContact CB-CG2 4.44Å; L241-V288 HydrophobicContact CD2-CG2 3.72Å; L263-V288 HydrophobicContact CB-CB 4.16Å; L263-V288 HydrophobicContact CB-CG2 3.67Å; L263-V288 HydrophobicContact CD1-CG2 4.16Å; L267-V288 HydrophobicContact CD1-CG1 4.12Å; L267-V288 HydrophobicContact CD2-CG1 4.25Å; S274-V288 CarbonylContact O-C 3.19Å; S274-V288 WeakPolarHBondContact O-CA 3.23Å; F286-V288 HydrophobicContact CD2-CG2 4.41Å; F286-V288 HydrophobicContact CE1-CG2 4.25Å; F286-V288 HydrophobicContact CE2-CG2 3.69Å; F286-V288 HydrophobicContact CZ-CG2 3.59Å; V288-K290 PolarHBondContact O-N 2.84Å; V288-H291 PolarHBondContact N-O 2.99Å; V288-H291 PolarHBondContact O-N 2.91Å
289	D	90.8	Very high	81.1	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.283	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-101.9	-167.3	-63.6	-27.2	0	0	0	111.1	H273 S274	H273-D289 WeakPolarHBondContact CA-OD1 3.41Å; H273-D289 WeakPolarHBondContact CB-OD1 3.43Å; H273-D289 IonicContact CE1-OD2 3.57Å; H273-D289 IonicContact CG-OD1 3.61Å; H273-D289 IonicContact CG-OD2 3.84Å; H273-D289 IonicContact ND1-OD1 3.72Å; H273-D289 PolarHBondContact ND1-OD1 3Å; H273-D289 IonicContact ND1-OD2 3.05Å; H273-D289 PolarHBondContact ND1-OD2 2.85Å; S274-D289 PolarHBondContact N-OD1 2.79Å; S274-D289 PolarHBondContact O-N 3.11Å; S274-D289 WeakPolarHBondContact OG-CA 3.43Å; S274-D289 PolarHBondContact OG-O 3.29Å
290	K	84.7	Confident	79.3	Confident	112 Å²	112	74.8 Å²	74.8	49%	0.487	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-3.6	176.6	-63.7	179.8	174.6	-179.7	0	114.1	E126 P148 V288	E126-K290 IonicContact OE1-NZ 3.63Å; E126-K290 PolarHBondContact OE1-NZ 3.39Å; P148-K290 VanDerWaalsContact CD-CE 3.49Å; V288-K290 PolarHBondContact O-N 2.84Å
291	H	88.1	Confident	77.5	Confident	137 Å²	137	76.7 Å²	76.7	63%	0.634	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.4	-172.5	-59.4	92.5	0	0	0	109.2	T287 V288	T287-H291 WeakPolarHBondContact CA-O 3.46Å; V288-H291 PolarHBondContact N-O 2.99Å; V288-H291 PolarHBondContact O-N 2.91Å
292	T	89.4	Confident	76.4	Confident	57 Å²	57	74.4 Å²	74.4	35%	0.35	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.6	177.2	-53.7	0	0	0	0	110.5	F286 T287 H294	F286-T292 WeakPolarHBondContact O-CA 3.4Å; T287-T292 VanDerWaalsContact CG2-OG1 3.25Å; T287-T292 WeakPolarHBondContact CG2-OG1 3.34Å; T287-T292 WeakPolarHBondContact OG1-CB 3.38Å; T287-T292 VanDerWaalsContact OG1-CG2 3.23Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.5Å; T287-T292 PolarHBondContact OG1-OG1 2.8Å; T292-H294 VanDerWaalsContact CG2-CE1 3.41Å; T292-H294 WeakPolarHBondContact CG2-CE1 3.1Å; T292-H294 WeakPolarHBondContact CG2-NE2 3.4Å
293	H	86.8	Confident	75.6	Confident	104 Å²	104	77 Å²	77	48%	0.481	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127	162.1	-85.2	-113.8	0	0	0	109.9	L263 F286	L263-H293 HydrophobicContact CD1-CB 4.15Å; L263-H293 HydrophobicContact CD2-CB 4.23Å; L263-H293 WeakPolarHBondContact CD2-CD2 3.42Å; F286-H293 PolarHBondContact N-O 2.9Å; F286-H293 PolarHBondContact O-N 2.96Å
294	H	86	Confident	74.6	Confident	132 Å²	132	74.8 Å²	74.8	61%	0.611	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.2	172.7	-56.6	-79.5	0	0	0	108.7	N285 T292	N285-H294 VanDerWaalsContact CG-ND1 3.29Å; N285-H294 PolarHBondContact OD1-ND1 2.94Å; T292-H294 VanDerWaalsContact CG2-CE1 3.41Å; T292-H294 WeakPolarHBondContact CG2-CE1 3.1Å; T292-H294 WeakPolarHBondContact CG2-NE2 3.4Å
295	F	79.6	Confident	73.6	Confident	38 Å²	38	77 Å²	77	17%	0.167	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.6	171.4	74.7	-81.9	0	0	0	111.5	F243 L245 V259 L261 V284 A297	F243-F295 HydrophobicContact CE1-CZ 4.42Å; L245-F295 HydrophobicContact CD2-CZ 4.5Å; V259-F295 HydrophobicContact CG1-CD2 4.13Å; V259-F295 HydrophobicContact CG1-CE2 3.63Å; V259-F295 HydrophobicContact CG1-CZ 4.09Å; L261-F295 HydrophobicContact CD1-CD1 3.16Å; L261-F295 HydrophobicContact CD1-CD2 4.23Å; L261-F295 HydrophobicContact CD1-CE1 2.82Å; L261-F295 HydrophobicContact CD1-CE2 4.01Å; L261-F295 HydrophobicContact CD1-CG 3.84Å; L261-F295 HydrophobicContact CD1-CZ 3.3Å; L261-F295 HydrophobicContact CG-CD1 4.45Å; L261-F295 HydrophobicContact CG-CE1 4.27Å; V284-F295 HydrophobicContact CB-CD1 3.77Å; V284-F295 HydrophobicContact CB-CD2 4.44Å; V284-F295 HydrophobicContact CB-CE1 3.15Å; V284-F295 HydrophobicContact CB-CE2 3.9Å; V284-F295 HydrophobicContact CB-CG 4.4Å; V284-F295 HydrophobicContact CB-CZ 3.25Å; V284-F295 HydrophobicContact CG1-CD1 4.15Å; V284-F295 HydrophobicContact CG1-CE1 3.2Å; V284-F295 HydrophobicContact CG1-CZ 3.48Å; V284-F295 VanDerWaalsContact CG1-CZ 3.48Å; V284-F295 HydrophobicContact CG2-CE1 3.93Å; V284-F295 HydrophobicContact CG2-CE2 3.77Å; V284-F295 HydrophobicContact CG2-CZ 3.44Å; V284-F295 VanDerWaalsContact CG2-CZ 3.44Å; V284-F295 PolarHBondContact N-O 2.87Å; V284-F295 WeakPolarHBondContact O-CD1 3.48Å; V284-F295 PolarHBondContact O-N 2.76Å; F295-A297 HydrophobicContact CE2-CB 4.32Å
296	Q	74.9	Confident	72.7	Confident	136 Å²	136	76.2 Å²	76.2	64%	0.636	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.7	173.3	-166.7	171.4	10.4	0	0	108.7	T282 K298	T282-Q296 CarbonylContact O-C 3.56Å; T282-Q296 WeakPolarHBondContact O-CA 3.41Å; T282-Q296 PolarHBondContact OG1-NE2 2.87Å; Q296-K298 PolarHBondContact O-N 3.01Å
297	A	67.4	Low	71.9	Confident	21 Å²	21	78.7 Å²	78.7	17%	0.174	42%	0.416	C	S	.	.			trans	-63.5	123.6	172.6	0	0	0	0	0	109.2	L245 T282 F295 G299	L245-A297 HydrophobicContact CD2-CB 4.11Å; T282-A297 PolarHBondContact O-N 3.5Å; F295-A297 HydrophobicContact CE2-CB 4.32Å; A297-G299 PolarHBondContact O-N 2.96Å
298	K	56.9	Low	71.3	Confident	189 Å²	189	82.7 Å²	82.7	82%	0.822	43%	0.432	S	S	*	.			trans	-77	106.2	174.9	-77	-175.8	176	-178.8	0	109.3	Q296	Q296-K298 PolarHBondContact O-N 3.01Å
299	G	54.9	Low	71	Confident	39 Å²	39	87.2 Å²	87.2	40%	0.402	45%	0.453	S	S	.	.	S	Bend	trans	-174	146.9	172.5	0	0	0	0	0	110.4	A297 S301	A297-G299 PolarHBondContact O-N 2.96Å; G299-S301 PolarHBondContact O-N 2.83Å
300	D	47.9	Very low	71	Confident	175 Å²	175	84.8 Å²	84.8	94%	0.936	44%	0.439	S	S	*	.	S	Bend	trans	-58.2	134	170.9	-83	-28.8	0	0	0	108.9
301	S	42.5	Very low	71.4	Confident	93 Å²	93	79.8 Å²	79.8	65%	0.65	42%	0.419	S	S	*	.	S	Bend	trans	-35.2	133.1	-171.1	51.5	0	0	0	0	116	G299	G299-S301 PolarHBondContact O-N 2.83Å
302	S	47.9	Very low	71.7	Confident	78 Å²	78	73.2 Å²	73.2	55%	0.545	39%	0.388	S	S	.	.	S	Bend	trans	94.7	22.2	131.4	77	0	0	0	0	122.3
303	N	52.4	Low	71.8	Confident	89 Å²	89	70.5 Å²	70.5	48%	0.476	37%	0.372	S	S	.	.			trans	-149.6	80.3	170.8	-81.5	-50.9	0	0	0	115.1	K202 D305	K202-N303 PolarHBondContact NZ-OD1 3.01Å; N303-D305 PolarHBondContact O-N 2.98Å
304	L	57.8	Low	71.8	Confident	62 Å²	62	65.6 Å²	65.6	33%	0.325	35%	0.349	S	S	.	.			trans	-70.3	87	150.3	-96.7	123.3	0	0	0	107.8	I232 L245 L306	I232-L304 HydrophobicContact CD1-CD2 4.26Å; I232-L304 HydrophobicContact CG1-CD2 4.03Å; L245-L304 HydrophobicContact CD1-CD1 3.81Å; L245-L304 HydrophobicContact CD1-CD2 3.55Å; L245-L304 HydrophobicContact CD1-CG 4.32Å; L304-L306 HydrophobicContact CB-CD1 4.1Å; L304-L306 HydrophobicContact CB-CG 4.06Å; L304-L306 HydrophobicContact CD2-CD1 3.81Å; L304-L306 HydrophobicContact CD2-CD2 4.01Å; L304-L306 HydrophobicContact CD2-CG 3.92Å; L304-L306 PolarHBondContact O-N 2.99Å
305	D	65.1	Low	71.6	Confident	49 Å²	49	60.8 Å²	60.8	26%	0.262	33%	0.328	S	S	.	.			trans	-69.6	70	174	-177.9	37.4	0	0	0	110.3	G226 Q227 H228 N230 N303	G226-D305 WeakPolarHBondContact CA-O 3.19Å; Q227-D305 PolarHBondContact N-O 2.97Å; H228-D305 IonicContact CE1-OD2 3.61Å; H228-D305 PolarHBondContact CE1-OD2 3.4Å; H228-D305 IonicContact ND1-OD2 2.71Å; H228-D305 PolarHBondContact ND1-OD2 3.19Å; N230-D305 PolarHBondContact ND2-N 3.09Å; N303-D305 PolarHBondContact O-N 2.98Å
306	L	72.3	Confident	71	Confident	13 Å²	13	61.7 Å²	61.7	7%	0.068	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-91.5	142.5	179.8	-65.8	171.7	0	0	0	110	R224 N230 I232 L304	R224-L306 HydrophobicContact CG-CB 4.09Å; R224-L306 HydrophobicContact CG-CD1 4.33Å; R224-L306 HydrophobicContact CG-CD2 4.35Å; R224-L306 HydrophobicContact CG-CG 4.5Å; R224-L306 VanDerWaalsContact CZ-CB 3.44Å; R224-L306 PolarHBondContact NH2-O 2.78Å; N230-L306 HydrophobicContact CB-CD2 4.13Å; I232-L306 HydrophobicContact CD1-CD1 3.4Å; I232-L306 VanDerWaalsContact CD1-CD1 3.4Å; I232-L306 HydrophobicContact CG1-CD1 3.77Å; I232-L306 HydrophobicContact CG1-CD2 4.45Å; L304-L306 HydrophobicContact CB-CD1 4.1Å; L304-L306 HydrophobicContact CB-CG 4.06Å; L304-L306 HydrophobicContact CD2-CD1 3.81Å; L304-L306 HydrophobicContact CD2-CD2 4.01Å; L304-L306 HydrophobicContact CD2-CG 3.92Å; L304-L306 PolarHBondContact O-N 2.99Å
307	N	74.8	Confident	70.1	Confident	53 Å²	53	58 Å²	58	28%	0.283	32%	0.323	S	S	.	.			trans	-63.6	164.9	179.6	-65.2	-23.8	0	0	0	111.5	R224 E225 Q227 E309	R224-N307 VanDerWaalsContact CZ-O 3.31Å; R224-N307 PolarHBondContact NE-O 3.35Å; R224-N307 PolarHBondContact NH2-O 3.4Å; E225-N307 WeakPolarHBondContact O-CB 3.34Å; E225-N307 PolarHBondContact O-N 2.62Å; E225-N307 PolarHBondContact O-ND2 2.8Å; Q227-N307 WeakPolarHBondContact CG-OD1 3.36Å; N307-E309 PolarHBondContact O-N 3.04Å; N307-E309 VanDerWaalsContact O-N 3.1Å
308	F	82.7	Confident	69	Low	104 Å²	104	63.2 Å²	63.2	46%	0.456	36%	0.355	S	S	.	.	S	Bend	trans	-78.4	22.2	174.9	-59.2	-81.9	0	0	0	112.7	T195 L196	T195-F308 CarbonylContact C-O 3.54Å; T195-F308 WeakPolarHBondContact CA-O 3.38Å; L196-F308 HydrophobicContact CB-CB 4.32Å; L196-F308 HydrophobicContact CB-CD1 4.48Å; L196-F308 WeakPolarHBondContact CD1-O 3.17Å; L196-F308 PolarHBondContact N-O 2.96Å
309	E	88.1	Confident	68.3	Low	98 Å²	98	58.1 Å²	58.1	46%	0.458	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.4	-178.2	-68	-179	170.5	0	0	109.6	L193 Y194 T195 R224 N307	L193-E309 HydrophobicContact CD1-CB 4.04Å; Y194-E309 WeakPolarHBondContact O-CA 3.47Å; T195-E309 HydrophobicContact CG2-CG 4.42Å; R224-E309 WeakPolarHBondContact CG-O 3.5Å; N307-E309 PolarHBondContact O-N 3.04Å; N307-E309 VanDerWaalsContact O-N 3.1Å
310	I	90.4	Very high	67.5	Low	1 Å²	1	66 Å²	66	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.2	174.7	-178.1	166.5	0	0	0	109.5	Y194 L196 I208 L222 R224 F312 Y338	Y194-I310 HydrophobicContact CD1-CG2 3.77Å; Y194-I310 HydrophobicContact CG-CG2 4.32Å; Y194-I310 PolarHBondContact N-O 2.87Å; Y194-I310 PolarHBondContact O-N 2.94Å; L196-I310 HydrophobicContact CD1-CG2 4.18Å; I208-I310 HydrophobicContact CD1-CD1 4.35Å; L222-I310 HydrophobicContact CD1-CD1 4.31Å; R224-I310 HydrophobicContact CB-CB 4.33Å; R224-I310 HydrophobicContact CB-CD1 4.37Å; R224-I310 HydrophobicContact CB-CG1 4.12Å; R224-I310 HydrophobicContact CG-CB 4.42Å; I310-F312 HydrophobicContact CD1-CE1 4.09Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CD1-CZ 3.69Å; I310-F312 HydrophobicContact CG1-CE1 4.35Å; I310-F312 HydrophobicContact CG1-CE2 4.07Å; I310-F312 HydrophobicContact CG1-CZ 3.87Å; I310-F312 HydrophobicContact CG2-CE2 3.79Å; I310-F312 HydrophobicContact CG2-CZ 4.09Å; I310-Y338 HydrophobicContact CD1-CD2 3.9Å; I310-Y338 HydrophobicContact CD1-CE2 3.78Å
311	S	93	Very high	66.7	Low	7 Å²	7	64.2 Å²	64.2	5%	0.049	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.1	178.6	59.6	0	0	0	0	111.2	L192 L222 H223 G314	L192-S311 CarbonylContact O-C 3.51Å; L192-S311 VanDerWaalsContact O-CA 3.25Å; L192-S311 WeakPolarHBondContact O-CA 3.49Å; L222-S311 CarbonylContact C-O 3.58Å; L222-S311 VanDerWaalsContact CA-O 3.22Å; L222-S311 WeakPolarHBondContact CA-O 3.5Å; H223-S311 PolarHBondContact N-O 3.35Å; H223-S311 PolarHBondContact O-N 3.44Å; H223-S311 PolarHBondContact O-OG 3.35Å; S311-G314 WeakPolarHBondContact CB-O 3.3Å; S311-G314 PolarHBondContact OG-O 3.03Å
312	F	94.9	Very high	66.5	Low	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.6	174.3	-58.8	-83.3	0	0	0	110	F186 A191 L192 L221 L222 I310 G314 L333 L336 V343	F186-F312 WeakPolarHBondContact CE1-O 3.48Å; F186-F312 HydrophobicContact CZ-CB 4.33Å; A191-F312 CarbonylContact C-O 3.48Å; A191-F312 VanDerWaalsContact CA-O 3.28Å; A191-F312 WeakPolarHBondContact CA-O 3.29Å; A191-F312 WeakPolarHBondContact CB-O 3.49Å; L192-F312 HydrophobicContact CB-CB 4.36Å; L192-F312 PolarHBondContact N-O 3.3Å; L192-F312 PolarHBondContact O-N 3.34Å; L221-F312 CarbonylContact O-C 3.45Å; L221-F312 VanDerWaalsContact O-CA 3.3Å; L221-F312 WeakPolarHBondContact O-CA 3.33Å; L222-F312 HydrophobicContact CB-CD1 3.61Å; L222-F312 HydrophobicContact CB-CE1 3.77Å; L222-F312 HydrophobicContact CD2-CE1 4.38Å; I310-F312 HydrophobicContact CD1-CE1 4.09Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CD1-CZ 3.69Å; I310-F312 HydrophobicContact CG1-CE1 4.35Å; I310-F312 HydrophobicContact CG1-CE2 4.07Å; I310-F312 HydrophobicContact CG1-CZ 3.87Å; I310-F312 HydrophobicContact CG2-CE2 3.79Å; I310-F312 HydrophobicContact CG2-CZ 4.09Å; F312-G314 VanDerWaalsContact C-N 3.32Å; F312-G314 PolarHBondContact O-N 3.39Å; F312-L333 HydrophobicContact CB-CD1 4.36Å; F312-L336 HydrophobicContact CB-CD2 4.22Å; F312-L336 HydrophobicContact CD1-CD1 3.89Å; F312-L336 HydrophobicContact CD1-CD2 3.66Å; F312-L336 HydrophobicContact CD1-CG 4.39Å; F312-L336 HydrophobicContact CD2-CD2 3.74Å; F312-L336 HydrophobicContact CE1-CD1 3.54Å; F312-L336 HydrophobicContact CE1-CD2 3.88Å; F312-L336 HydrophobicContact CE1-CG 4.2Å; F312-L336 HydrophobicContact CE2-CD2 3.91Å; F312-L336 HydrophobicContact CG-CD2 3.59Å; F312-L336 HydrophobicContact CZ-CD1 4.01Å; F312-L336 HydrophobicContact CZ-CD2 3.98Å; F312-L336 HydrophobicContact CZ-CG 4.29Å; F312-V343 HydrophobicContact CD2-CG1 4.28Å; F312-V343 HydrophobicContact CE2-CG1 4.06Å; F312-V343 HydrophobicContact CE2-CG2 4.45Å
313	G	91.7	Very high	65.9	Low	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.392	C	S	.	.	S	Bend	trans	87.5	-13.4	-179.6	0	0	0	0	0	115.3	I220 L221 S328 F329	I220-G313 CarbonylContact O-C 3.59Å; I220-G313 VanDerWaalsContact O-C 3.28Å; L221-G313 PolarHBondContact O-N 2.93Å; G313-S328 WeakPolarHBondContact O-CB 3.43Å; G313-F329 PolarHBondContact O-N 3.42Å
314	G	87.3	Confident	65.8	Low	1 Å²	1	71.4 Å²	71.4	1%	0.01	39%	0.393	C	S	.	.	S	Bend	trans	172.6	174.1	177.8	0	0	0	0	0	112.7	I220 S311 F312	I220-G314 PolarHBondContact O-N 3.03Å; S311-G314 WeakPolarHBondContact CB-O 3.3Å; S311-G314 PolarHBondContact OG-O 3.03Å; F312-G314 VanDerWaalsContact C-N 3.32Å; F312-G314 PolarHBondContact O-N 3.39Å
315	I	81.4	Confident	65.7	Low	31 Å²	31	75 Å²	75	16%	0.159	42%	0.418	C	S	.	.			trans	-98.7	135.8	174.7	-65.2	172.2	0	0	0	109.3	I220 H223 F324	I220-I315 HydrophobicContact CD1-CD1 3.49Å; I220-I315 VanDerWaalsContact CD1-CD1 3.49Å; I220-I315 HydrophobicContact CD1-CG1 3.82Å; I220-I315 HydrophobicContact CG1-CD1 4.48Å; I220-I315 HydrophobicContact CG2-CG1 4.14Å; H223-I315 HydrophobicContact CB-CD1 4.19Å; H223-I315 HydrophobicContact CB-CG1 3.6Å; I315-F324 HydrophobicContact CD1-CE1 4.01Å; I315-F324 HydrophobicContact CG2-CE1 4.19Å; I315-F324 HydrophobicContact CG2-CZ 4.18Å
316	L	66.7	Low	66.2	Low	57 Å²	57	77.3 Å²	77.3	30%	0.298	42%	0.422	S	S	.	.			trans	-97.2	127.1	174.1	-61.1	172	0	0	0	109.7	A191 L193 M357	A191-L316 HydrophobicContact CB-CD2 4.37Å; L193-L316 HydrophobicContact CB-CD1 4.07Å; L193-L316 HydrophobicContact CD1-CD1 4.19Å; L193-L316 HydrophobicContact CD2-CD1 4.15Å; L193-L316 HydrophobicContact CG-CD1 4.38Å; L316-M357 HydrophobicContact CD1-CE 3.47Å; L316-M357 VanDerWaalsContact CD1-CE 3.47Å; L316-M357 HydrophobicContact CD1-SD 3.57Å; L316-M357 VanDerWaalsContact CD1-SD 3.57Å; L316-M357 HydrophobicContact CD2-CE 4.24Å; L316-M357 HydrophobicContact CD2-SD 3.27Å; L316-M357 WeakPolarHBondContact CD2-SD 3.46Å; L316-M357 HydrophobicContact CG-CE 4.45Å; L316-M357 HydrophobicContact CG-SD 4.04Å
317	S	55.7	Low	66.8	Low	59 Å²	59	82.9 Å²	82.9	41%	0.413	45%	0.446	S	S	.	.			trans	-117.1	104.1	167.9	-73.1	0	0	0	0	109.1	G319 F324	S317-G319 PolarHBondContact O-N 3.47Å; S317-G319 VanDerWaalsContact O-N 3.12Å; S317-F324 WeakPolarHBondContact OG-CE2 3.48Å
318	P	43.9	Very low	67.6	Low	130 Å²	130	82.1 Å²	82.1	84%	0.844	45%	0.445	S	S	*	.	S	Bend	trans	-68.2	110.5	169.9	-2.5	15.9	0	0	0	108.7	R320	P318-R320 PolarHBondContact O-N 2.83Å
319	G	42.3	Very low	68.2	Low	82 Å²	82	77.2 Å²	77.2	85%	0.845	42%	0.423	S	S	*	.	S	Bend	trans	79	15.8	157	0	0	0	0	0	118.9	S317	S317-G319 PolarHBondContact O-N 3.47Å; S317-G319 VanDerWaalsContact O-N 3.12Å
320	R	39.3	Very low	68.5	Low	205 Å²	205	74.6 Å²	74.6	77%	0.774	41%	0.411	S	S	*	.			trans	-132.3	110.5	166.2	-82.5	-175.1	175.3	174.4	-0.5	111.7	P318 R322	P318-R320 PolarHBondContact O-N 2.83Å; R320-R322 PolarHBondContact O-N 3.3Å
321	S	31.3	Very low	68.7	Low	136 Å²	136	74.5 Å²	74.5	95%	0.951	41%	0.411	S	S	*	.			trans	-65.4	64.6	162.8	-50.5	0	0	0	0	110.8
322	R	37.6	Very low	68.8	Low	203 Å²	203	74.2 Å²	74.2	77%	0.766	41%	0.408	S	S	*	.			trans	-84.7	121.1	147.7	-84.4	-177.1	165.9	179.9	-5	104.7	R320 F324	R320-R322 PolarHBondContact O-N 3.3Å; R322-F324 VanDerWaalsContact C-N 3.25Å; R322-F324 PolarHBondContact O-N 2.82Å
323	A	36.3	Very low	68.8	Low	95 Å²	95	74.2 Å²	74.2	79%	0.785	41%	0.408	S	S	*	.			trans	-55.1	95.3	171.5	0	0	0	0	0	108.1	T325	A323-T325 PolarHBondContact O-N 2.88Å
324	F	49.9	Very low	69	Low	114 Å²	114	74.2 Å²	74.2	50%	0.5	41%	0.408	S	S	.	.			trans	-64	111.8	169.8	-102.7	-94.5	0	0	0	105.3	I315 S317 R322 R326	I315-F324 HydrophobicContact CD1-CE1 4.01Å; I315-F324 HydrophobicContact CG2-CE1 4.19Å; I315-F324 HydrophobicContact CG2-CZ 4.18Å; S317-F324 WeakPolarHBondContact OG-CE2 3.48Å; R322-F324 VanDerWaalsContact C-N 3.25Å; R322-F324 PolarHBondContact O-N 2.82Å; F324-R326 PolarHBondContact O-N 2.87Å
325	T	55.9	Low	69.3	Low	137 Å²	137	75.2 Å²	75.2	84%	0.84	41%	0.414	S	S	*	.			trans	-69.5	-12.6	177.9	42.3	0	0	0	0	112.3	A323	A323-T325 PolarHBondContact O-N 2.88Å
326	R	74.2	Confident	70	Confident	97 Å²	97	73.8 Å²	73.8	37%	0.366	41%	0.406	S	S	.	.	S	Bend	trans	-89.1	134.4	-177.8	-57.8	-169.1	-175.2	-160	6.5	111	I220 E235 F324	I220-R326 HydrophobicContact CD1-CB 3.55Å; I220-R326 HydrophobicContact CD1-CG 4.49Å; I220-R326 HydrophobicContact CG1-CB 4.41Å; E235-R326 WeakPolarHBondContact OE2-CD 3.37Å; E235-R326 IonicContact OE2-CZ 3.01Å; E235-R326 IonicContact OE2-NE 3.5Å; E235-R326 IonicContact OE2-NH1 3.61Å; E235-R326 PolarHBondContact OE2-NH1 2.91Å; F324-R326 PolarHBondContact O-N 2.87Å
327	K	85.4	Confident	71.4	Confident	131 Å²	131	74.9 Å²	74.9	57%	0.57	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-83.3	144.8	-179.7	-63	-177.1	178.7	-177.5	0	110.7	G219 I220	G219-K327 WeakPolarHBondContact CA-O 3.25Å; I220-K327 PolarHBondContact N-O 2.89Å
328	S	92.1	Very high	73.1	Confident	36 Å²	36	72.2 Å²	72.2	25%	0.252	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-69.7	158.7	167.7	-64.3	0	0	0	0	110.7	G188 G313	G188-S328 VanDerWaalsContact O-CB 3.28Å; G188-S328 WeakPolarHBondContact O-CB 3.43Å; G313-S328 WeakPolarHBondContact O-CB 3.43Å
329	F	94.3	Very high	75.3	Confident	1 Å²	1	69 Å²	69	0%	0.004	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-74.4	131.6	-178.1	178.7	-109.8	0	0	0	111.6	F186 G188 F212 A214 I220 L221 G313 L333	F186-F329 HydrophobicContact CB-CD1 4.26Å; F186-F329 VanDerWaalsContact CB-O 3.27Å; F186-F329 WeakPolarHBondContact CB-O 3.27Å; F186-F329 HydrophobicContact CD2-CD1 4.08Å; F186-F329 HydrophobicContact CD2-CE1 4.46Å; F186-F329 HydrophobicContact CG-CD1 4.45Å; G188-F329 WeakPolarHBondContact CA-O 3.12Å; G188-F329 PolarHBondContact N-O 2.82Å; F212-F329 HydrophobicContact CB-CZ 4.16Å; F212-F329 HydrophobicContact CD2-CE2 4.23Å; F212-F329 HydrophobicContact CD2-CZ 4.17Å; A214-F329 HydrophobicContact CB-CE2 4.01Å; A214-F329 HydrophobicContact CB-CZ 4.46Å; I220-F329 WeakPolarHBondContact O-CB 3.13Å; L221-F329 HydrophobicContact CD1-CD2 3.51Å; L221-F329 HydrophobicContact CD1-CE2 3.78Å; L221-F329 HydrophobicContact CD1-CG 4.21Å; L221-F329 HydrophobicContact CG-CD2 3.89Å; L221-F329 HydrophobicContact CG-CE2 4Å; L221-F329 HydrophobicContact CG-CG 4.22Å; L221-F329 HydrophobicContact CG-CZ 4.43Å; G313-F329 PolarHBondContact O-N 3.42Å; F329-L333 HydrophobicContact CD1-CD2 4.33Å; F329-L333 HydrophobicContact CE1-CD2 3.68Å; F329-L333 HydrophobicContact CE1-CG 4.15Å; F329-L333 HydrophobicContact CZ-CD2 4.16Å
330	H	94.1	Very high	77.5	Confident	43 Å²	43	68.2 Å²	68.2	20%	0.199	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108	171.6	-176.4	175.4	0	0	0	108.3	Y185 F186 M215 Q216	Y185-H330 PolarHBondContact OH-NE2 3.44Å; F186-H330 CarbonylContact O-C 3.53Å; F186-H330 WeakPolarHBondContact O-CA 3.36Å; F186-H330 PolarHBondContact O-CD2 3.46Å; M215-H330 PolarHBondContact N-O 2.96Å; Q216-H330 HydrophobicContact CB-CB 4.39Å; Q216-H330 HydrophobicContact CG-CB 3.95Å; Q216-H330 PolarHBondContact NE2-ND1 3.18Å
331	G	94.4	Very high	80	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-165.5	-173.6	0	0	0	0	0	112.7	Y185 F186 K213	Y185-G331 WeakPolarHBondContact CD2-O 3.33Å; F186-G331 PolarHBondContact N-O 3Å; F186-G331 PolarHBondContact O-N 3.19Å; K213-G331 CarbonylContact O-C 3.59Å; K213-G331 WeakPolarHBondContact O-CA 3.05Å
332	C	95.4	Very high	83	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.1	-179.2	-50.8	0	0	0	0	110.1	V183 V184 F212 K213 W272 C364	V183-C332 HydrophobicContact CG1-CB 4.03Å; V184-C332 CarbonylContact O-C 3.6Å; V184-C332 VanDerWaalsContact O-CA 3.31Å; V184-C332 WeakPolarHBondContact O-CA 3.34Å; F212-C332 CarbonylContact C-O 3.6Å; F212-C332 VanDerWaalsContact CA-O 3.29Å; F212-C332 WeakPolarHBondContact CA-O 3.14Å; K213-C332 HydrophobicContact CB-CB 4.44Å; K213-C332 PolarHBondContact N-O 2.66Å; K213-C332 PolarHBondContact O-N 3.04Å; W272-C332 HydrophobicContact CH2-CB 3.49Å; W272-C332 VanDerWaalsContact CH2-CB 3.49Å; W272-C332 HydrophobicContact CZ2-CB 4.24Å; W272-C332 HydrophobicContact CZ3-CB 4.08Å; W272-C332 WeakPolarHBondContact CZ3-O 3.39Å; C332-C364 HydrophobicContact CB-CB 3.81Å; C332-C364 WeakPolarHBondContact CB-SG 3.17Å; C332-C364 WeakPolarHBondContact SG-CA 3.33Å; C332-C364 WeakPolarHBondContact SG-CB 3.45Å; C332-C364 CovalentContact SG-SG 2.03Å; C332-C364 PolarHBondContact SG-SG 2.68Å
333	L	96.5	Very high	85.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.1	165.3	-55.6	-176.6	0	0	0	108.9	V183 V184 F186 L210 K211 F212 L221 F312 F329	V183-L333 CarbonylContact C-O 3.55Å; V183-L333 WeakPolarHBondContact CA-O 3.47Å; V184-L333 HydrophobicContact CG1-CB 3.91Å; V184-L333 PolarHBondContact N-O 2.99Å; V184-L333 PolarHBondContact O-N 3.44Å; F186-L333 HydrophobicContact CD2-CD1 4.31Å; F186-L333 HydrophobicContact CD2-CG 4.08Å; F186-L333 HydrophobicContact CE2-CB 4.13Å; F186-L333 HydrophobicContact CE2-CD1 3.52Å; F186-L333 HydrophobicContact CE2-CG 3.6Å; F186-L333 HydrophobicContact CZ-CD1 4.16Å; L210-L333 HydrophobicContact CD1-CD2 4.28Å; K211-L333 CarbonylContact O-C 3.6Å; K211-L333 WeakPolarHBondContact O-CA 3.25Å; F212-L333 HydrophobicContact CB-CD2 3.48Å; F212-L333 VanDerWaalsContact CB-CD2 3.48Å; L221-L333 HydrophobicContact CD2-CD2 4.38Å; F312-L333 HydrophobicContact CB-CD1 4.36Å; F329-L333 HydrophobicContact CD1-CD2 4.33Å; F329-L333 HydrophobicContact CE1-CD2 3.68Å; F329-L333 HydrophobicContact CE1-CG 4.15Å; F329-L333 HydrophobicContact CZ-CD2 4.16Å
334	E	94.9	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.5	177.7	167.4	176.3	-96.5	0	0	109.6	R88 Y179 S181 E182 V183 K211 W272 L336	R88-E334 IonicContact CZ-OE1 2.79Å; R88-E334 IonicContact CZ-OE2 3.58Å; R88-E334 IonicContact NH1-OE1 2.57Å; R88-E334 PolarHBondContact NH1-OE1 2.94Å; R88-E334 IonicContact NH1-OE2 2.8Å; R88-E334 PolarHBondContact NH1-OE2 2.92Å; Y179-E334 PolarHBondContact OH-OE2 2.9Å; S181-E334 VanDerWaalsContact CB-OE1 3.29Å; S181-E334 WeakPolarHBondContact CB-OE1 3.38Å; S181-E334 PolarHBondContact OG-OE1 3.11Å; E182-E334 CarbonylContact O-C 3.57Å; E182-E334 VanDerWaalsContact O-CA 3.31Å; E182-E334 WeakPolarHBondContact O-CA 3.38Å; V183-E334 HydrophobicContact CG2-CB 4.15Å; V183-E334 HydrophobicContact CG2-CG 4.35Å; K211-E334 HydrophobicContact CB-CB 4.08Å; K211-E334 HydrophobicContact CB-CG 4.49Å; K211-E334 VanDerWaalsContact CD-OE2 3.24Å; K211-E334 WeakPolarHBondContact CD-OE2 3.2Å; K211-E334 PolarHBondContact N-O 2.79Å; K211-E334 PolarHBondContact O-N 3.36Å; W272-E334 HydrophobicContact CE3-CB 4Å; W272-E334 HydrophobicContact CH2-CB 3.59Å; W272-E334 HydrophobicContact CZ2-CB 4.28Å; W272-E334 HydrophobicContact CZ3-CB 3.43Å; W272-E334 VanDerWaalsContact CZ3-CB 3.43Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.74Å
335	N	94.1	Very high	90.5	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.3	56	170.4	-70.2	-5.5	0	0	0	110.7	Y179 K180 E182 Y337	Y179-N335 PolarHBondContact OH-ND2 3.4Å; Y179-N335 VanDerWaalsContact OH-ND2 3.08Å; K180-N335 PolarHBondContact O-ND2 3.03Å; E182-N335 PolarHBondContact N-OD1 3.07Å; E182-N335 PolarHBondContact O-N 3.04Å; N335-Y337 HydrophobicContact CB-CD2 4.43Å; N335-Y337 HydrophobicContact CB-CE2 3.89Å; N335-Y337 WeakPolarHBondContact O-CD2 3.41Å; N335-Y337 PolarHBondContact O-N 3.19Å
336	L	95.8	Very high	92.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	106.9	-178.5	175.1	61.9	0	0	0	109.8	L210 F312 E334 V343 T344	L210-L336 HydrophobicContact CB-CD1 3.74Å; L210-L336 HydrophobicContact CD2-CD1 3.62Å; L210-L336 HydrophobicContact CG-CD1 4.32Å; F312-L336 HydrophobicContact CB-CD2 4.22Å; F312-L336 HydrophobicContact CD1-CD1 3.89Å; F312-L336 HydrophobicContact CD1-CD2 3.66Å; F312-L336 HydrophobicContact CD1-CG 4.39Å; F312-L336 HydrophobicContact CD2-CD2 3.74Å; F312-L336 HydrophobicContact CE1-CD1 3.54Å; F312-L336 HydrophobicContact CE1-CD2 3.88Å; F312-L336 HydrophobicContact CE1-CG 4.2Å; F312-L336 HydrophobicContact CE2-CD2 3.91Å; F312-L336 HydrophobicContact CG-CD2 3.59Å; F312-L336 HydrophobicContact CZ-CD1 4.01Å; F312-L336 HydrophobicContact CZ-CD2 3.98Å; F312-L336 HydrophobicContact CZ-CG 4.29Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.74Å; L336-V343 HydrophobicContact CB-CB 4.47Å; L336-V343 HydrophobicContact CD2-CB 3.87Å; L336-V343 HydrophobicContact CD2-CG1 3.8Å; L336-V343 HydrophobicContact CG-CB 3.91Å; L336-V343 HydrophobicContact CG-CG1 4.39Å; L336-V343 HydrophobicContact CG-CG2 4.37Å; L336-V343 PolarHBondContact O-N 3.09Å; L336-T344 WeakPolarHBondContact CB-OG1 3.09Å; L336-T344 PolarHBondContact N-OG1 2.91Å
337	Y	94.9	Very high	93.3	Very high	81 Å²	81	28.6 Å²	28.6	32%	0.318	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.5	175.8	-65.8	-92.1	0	0	0	111.6	I208 S209 N335 V341 D342	I208-Y337 WeakPolarHBondContact CA-O 3.28Å; S209-Y337 PolarHBondContact N-O 3.2Å; S209-Y337 PolarHBondContact O-N 2.78Å; S209-Y337 WeakPolarHBondContact OG-CB 3.48Å; N335-Y337 HydrophobicContact CB-CD2 4.43Å; N335-Y337 HydrophobicContact CB-CE2 3.89Å; N335-Y337 WeakPolarHBondContact O-CD2 3.41Å; N335-Y337 PolarHBondContact O-N 3.19Å; Y337-V341 VanDerWaalsContact CA-O 3.3Å; Y337-V341 WeakPolarHBondContact CA-O 3.31Å; Y337-D342 HydrophobicContact CD1-CB 3.99Å; Y337-D342 HydrophobicContact CE1-CB 3.54Å; Y337-D342 PolarHBondContact OH-OD2 3.13Å
338	Y	92.3	Very high	93.6	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.4	168.9	-173.6	-80.9	0	0	0	108.7	Y194 L196 D206 I208 R224 I310 G340 V341	Y194-Y338 HydrophobicContact CE1-CD1 4.21Å; L196-Y338 HydrophobicContact CD2-CD1 4.2Å; L196-Y338 HydrophobicContact CD2-CE1 3.4Å; L196-Y338 HydrophobicContact CG-CE1 4.33Å; D206-Y338 PolarHBondContact OD1-OH 2.81Å; D206-Y338 PolarHBondContact OD2-OH 2.62Å; I208-Y338 HydrophobicContact CD1-CD2 4.21Å; I208-Y338 HydrophobicContact CD1-CE2 4Å; I208-Y338 HydrophobicContact CG1-CD2 3.77Å; I208-Y338 HydrophobicContact CG1-CE2 3.85Å; R224-Y338 PolarHBondContact NH1-OH 3.04Å; I310-Y338 HydrophobicContact CD1-CD2 3.9Å; I310-Y338 HydrophobicContact CD1-CE2 3.78Å; Y338-G340 PolarHBondContact O-N 3.17Å; Y338-G340 VanDerWaalsContact O-N 3.14Å; Y338-V341 PolarHBondContact N-O 3.35Å; Y338-V341 WeakPolarHBondContact O-CB 3.48Å; Y338-V341 PolarHBondContact O-N 3.25Å
339	N	89.6	Confident	93.7	Very high	61 Å²	61	29.3 Å²	29.3	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	39.4	-177.4	-68.5	-14.4	0	0	0	113.5	D206 V207 V341	D206-N339 WeakPolarHBondContact CA-OD1 3.34Å; D206-N339 PolarHBondContact OD1-ND2 3.22Å; V207-N339 PolarHBondContact N-OD1 3.44Å; V207-N339 PolarHBondContact O-N 2.8Å; N339-V341 VanDerWaalsContact C-N 3.28Å; N339-V341 PolarHBondContact O-N 3.4Å
340	G	89.1	Confident	93.6	Very high	66 Å²	66	35.6 Å²	35.6	68%	0.68	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	-3.5	-179.2	0	0	0	0	0	115.4	Y338	Y338-G340 PolarHBondContact O-N 3.17Å; Y338-G340 VanDerWaalsContact O-N 3.14Å
341	V	91.9	Very high	93.7	Very high	52 Å²	52	38 Å²	38	32%	0.315	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.1	173.6	-178.6	0	0	0	0	109.8	Y337 Y338 N339 V343 L346	Y337-V341 VanDerWaalsContact CA-O 3.3Å; Y337-V341 WeakPolarHBondContact CA-O 3.31Å; Y338-V341 PolarHBondContact N-O 3.35Å; Y338-V341 WeakPolarHBondContact O-CB 3.48Å; Y338-V341 PolarHBondContact O-N 3.25Å; N339-V341 VanDerWaalsContact C-N 3.28Å; N339-V341 PolarHBondContact O-N 3.4Å; V341-V343 PolarHBondContact O-N 3.34Å; V341-V343 VanDerWaalsContact O-N 3.16Å; V341-L346 HydrophobicContact CG1-CD1 3.55Å; V341-L346 HydrophobicContact CG1-CG 4.28Å
342	D	93.6	Very high	93.5	Very high	18 Å²	18	44.2 Å²	44.2	10%	0.096	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	96.2	173.8	-169.4	-27	0	0	0	110.4	Y337 T344 E345 L346	Y337-D342 HydrophobicContact CD1-CB 3.99Å; Y337-D342 HydrophobicContact CE1-CB 3.54Å; Y337-D342 PolarHBondContact OH-OD2 3.13Å; D342-T344 VanDerWaalsContact C-N 3.27Å; D342-T344 PolarHBondContact O-N 3.38Å; D342-T344 WeakPolarHBondContact OD1-CA 3.38Å; D342-T344 WeakPolarHBondContact OD1-CB 3.44Å; D342-T344 PolarHBondContact OD1-N 3.36Å; D342-E345 HydrophobicContact CB-CB 3.87Å; D342-E345 PolarHBondContact O-N 2.83Å; D342-E345 PolarHBondContact OD1-N 2.78Å; D342-L346 WeakPolarHBondContact O-CG 3.44Å; D342-L346 PolarHBondContact O-N 2.92Å; D342-L346 VanDerWaalsContact O-N 3.14Å
343	V	94.9	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-33	-179.3	178.9	0	0	0	0	110.7	Y194 F312 L336 V341 L346 A347 I354	Y194-V343 HydrophobicContact CD1-CG2 4.11Å; Y194-V343 HydrophobicContact CE1-CG2 4.44Å; Y194-V343 HydrophobicContact CG-CG2 4.38Å; F312-V343 HydrophobicContact CD2-CG1 4.28Å; F312-V343 HydrophobicContact CE2-CG1 4.06Å; F312-V343 HydrophobicContact CE2-CG2 4.45Å; L336-V343 HydrophobicContact CB-CB 4.47Å; L336-V343 HydrophobicContact CD2-CB 3.87Å; L336-V343 HydrophobicContact CD2-CG1 3.8Å; L336-V343 HydrophobicContact CG-CB 3.91Å; L336-V343 HydrophobicContact CG-CG1 4.39Å; L336-V343 HydrophobicContact CG-CG2 4.37Å; L336-V343 PolarHBondContact O-N 3.09Å; V341-V343 PolarHBondContact O-N 3.34Å; V341-V343 VanDerWaalsContact O-N 3.16Å; V343-L346 PolarHBondContact O-N 3.36Å; V343-A347 PolarHBondContact O-N 3.33Å; V343-I354 HydrophobicContact CG1-CD1 3.68Å
344	T	93.9	Very high	93.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-42.5	178.2	-55.2	0	0	0	0	111.1	E182 V184 L336 D342 A347 K348	E182-T344 HydrophobicContact CB-CG2 3.81Å; V184-T344 HydrophobicContact CB-CG2 4.34Å; V184-T344 HydrophobicContact CG1-CG2 4.43Å; L336-T344 WeakPolarHBondContact CB-OG1 3.09Å; L336-T344 PolarHBondContact N-OG1 2.91Å; D342-T344 VanDerWaalsContact C-N 3.27Å; D342-T344 PolarHBondContact O-N 3.38Å; D342-T344 WeakPolarHBondContact OD1-CA 3.38Å; D342-T344 WeakPolarHBondContact OD1-CB 3.44Å; D342-T344 PolarHBondContact OD1-N 3.36Å; T344-A347 PolarHBondContact O-N 3.11Å; T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.84Å
345	E	93.4	Very high	93.1	Very high	58 Å²	58	52.2 Å²	52.2	27%	0.271	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175	-171.7	-179.7	143.3	0	0	111.5	K180 D342 A347 K348 K349	K180-E345 IonicContact NZ-OE2 3.62Å; D342-E345 HydrophobicContact CB-CB 3.87Å; D342-E345 PolarHBondContact O-N 2.83Å; D342-E345 PolarHBondContact OD1-N 2.78Å; E345-A347 VanDerWaalsContact C-N 3.32Å; E345-A347 PolarHBondContact O-N 2.62Å; E345-K348 PolarHBondContact O-N 3.05Å; E345-K349 HydrophobicContact CG-CD 4.02Å; E345-K349 HydrophobicContact CG-CG 4.49Å; E345-K349 WeakPolarHBondContact O-CB 3.33Å; E345-K349 WeakPolarHBondContact O-CG 3.2Å; E345-K349 PolarHBondContact O-N 3.35Å; E345-K349 WeakPolarHBondContact OE1-CE 3.5Å; E345-K349 IonicContact OE1-NZ 2.62Å; E345-K349 PolarHBondContact OE1-NZ 2.8Å
346	L	94.1	Very high	93	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-42.6	175.3	-67.8	-179.1	0	0	0	111.8	Y194 V341 D342 V343 K349 H350 K351 I354	Y194-L346 HydrophobicContact CD2-CD1 4.29Å; Y194-L346 HydrophobicContact CE2-CD1 3.77Å; V341-L346 HydrophobicContact CG1-CD1 3.55Å; V341-L346 HydrophobicContact CG1-CG 4.28Å; D342-L346 WeakPolarHBondContact O-CG 3.44Å; D342-L346 PolarHBondContact O-N 2.92Å; D342-L346 VanDerWaalsContact O-N 3.14Å; V343-L346 PolarHBondContact O-N 3.36Å; L346-K349 PolarHBondContact O-N 3.11Å; L346-H350 PolarHBondContact O-N 2.94Å; L346-H350 VanDerWaalsContact O-N 3.13Å; L346-K351 HydrophobicContact CB-CB 4.28Å; L346-K351 HydrophobicContact CB-CG 4.42Å; L346-K351 HydrophobicContact CD2-CB 3.96Å; L346-K351 HydrophobicContact CD2-CG 3.69Å; L346-K351 PolarHBondContact O-N 3.07Å; L346-I354 HydrophobicContact CB-CD1 4.25Å; L346-I354 HydrophobicContact CB-CG1 3.52Å; L346-I354 HydrophobicContact CD1-CD1 4.49Å; L346-I354 HydrophobicContact CD1-CG1 4.29Å
347	A	94.1	Very high	92.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-49.5	176.5	0	0	0	0	0	111.4	L192 V343 T344 E345 K349 H350 I354 M356 F362	L192-A347 HydrophobicContact CD1-CB 4Å; L192-A347 HydrophobicContact CD2-CB 4.2Å; V343-A347 PolarHBondContact O-N 3.33Å; T344-A347 PolarHBondContact O-N 3.11Å; E345-A347 VanDerWaalsContact C-N 3.32Å; E345-A347 PolarHBondContact O-N 2.62Å; A347-K349 VanDerWaalsContact C-N 3.27Å; A347-K349 PolarHBondContact O-N 2.89Å; A347-H350 PolarHBondContact O-N 3.41Å; A347-I354 HydrophobicContact CB-CG2 4Å; A347-M356 HydrophobicContact CB-SD 4.46Å; A347-F362 HydrophobicContact CB-CE1 3.94Å; A347-F362 HydrophobicContact CB-CZ 4.11Å
348	K	92.8	Very high	92.3	Very high	61 Å²	61	56.1 Å²	56.1	27%	0.265	32%	0.315	S	S	.	.	H	α-helix	trans	-56.6	-41.6	177.2	-76.7	-176	-178	-156.1	0	112.3	E182 V183 T344 E345 H350 F362	E182-K348 WeakPolarHBondContact OE2-CD 3.37Å; E182-K348 WeakPolarHBondContact OE2-CE 3.25Å; E182-K348 IonicContact OE2-NZ 3.88Å; E182-K348 PolarHBondContact OE2-NZ 2.89Å; V183-K348 WeakPolarHBondContact O-CE 3.36Å; T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.84Å; E345-K348 PolarHBondContact O-N 3.05Å; K348-H350 VanDerWaalsContact C-N 3.27Å; K348-H350 PolarHBondContact O-N 2.75Å; K348-H350 PolarHBondContact O-ND1 3.42Å; K348-F362 HydrophobicContact CB-CD1 4.43Å; K348-F362 HydrophobicContact CB-CE1 4.23Å; K348-F362 HydrophobicContact CB-CZ 4.39Å; K348-F362 HydrophobicContact CD-CD1 4.05Å; K348-F362 HydrophobicContact CD-CG 4.33Å; K348-F362 HydrophobicContact CG-CB 4.31Å; K348-F362 HydrophobicContact CG-CD1 3.22Å; K348-F362 HydrophobicContact CG-CD2 4.15Å; K348-F362 HydrophobicContact CG-CE1 3.39Å; K348-F362 HydrophobicContact CG-CE2 4.29Å; K348-F362 HydrophobicContact CG-CG 3.62Å; K348-F362 HydrophobicContact CG-CZ 3.93Å
349	K	94	Very high	91.8	Very high	120 Å²	120	62.2 Å²	62.2	52%	0.522	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.4	179.8	-67.3	-177.7	177.7	176.2	0	114	E345 L346 A347 K351	E345-K349 HydrophobicContact CG-CD 4.02Å; E345-K349 HydrophobicContact CG-CG 4.49Å; E345-K349 WeakPolarHBondContact O-CB 3.33Å; E345-K349 WeakPolarHBondContact O-CG 3.2Å; E345-K349 PolarHBondContact O-N 3.35Å; E345-K349 WeakPolarHBondContact OE1-CE 3.5Å; E345-K349 IonicContact OE1-NZ 2.62Å; E345-K349 PolarHBondContact OE1-NZ 2.8Å; L346-K349 PolarHBondContact O-N 3.11Å; A347-K349 VanDerWaalsContact C-N 3.27Å; A347-K349 PolarHBondContact O-N 2.89Å; K349-K351 VanDerWaalsContact C-N 3.28Å; K349-K351 HydrophobicContact CB-CD 4.43Å; K349-K351 HydrophobicContact CB-CG 4.12Å; K349-K351 PolarHBondContact O-N 3.03Å
350	H	92.5	Very high	91.6	Very high	134 Å²	134	60.1 Å²	60.1	62%	0.62	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.8	178.1	-61.8	64.7	0	0	0	112.7	L346 A347 K348 M356	L346-H350 PolarHBondContact O-N 2.94Å; L346-H350 VanDerWaalsContact O-N 3.13Å; A347-H350 PolarHBondContact O-N 3.41Å; K348-H350 VanDerWaalsContact C-N 3.27Å; K348-H350 PolarHBondContact O-N 2.75Å; K348-H350 PolarHBondContact O-ND1 3.42Å; H350-M356 WeakPolarHBondContact CD2-CE 3.1Å; H350-M356 VanDerWaalsContact NE2-CE 3.35Å; H350-M356 WeakPolarHBondContact NE2-CE 3.42Å
351	K	95.1	Very high	91.8	Very high	93 Å²	93	58.6 Å²	58.6	40%	0.404	32%	0.317	S	S	.	.			trans	-72.2	147	-179.7	-65.3	-61.7	-170.3	-179.5	0	111	L346 K349 Q353 I354	L346-K351 HydrophobicContact CB-CB 4.28Å; L346-K351 HydrophobicContact CB-CG 4.42Å; L346-K351 HydrophobicContact CD2-CB 3.96Å; L346-K351 HydrophobicContact CD2-CG 3.69Å; L346-K351 PolarHBondContact O-N 3.07Å; K349-K351 VanDerWaalsContact C-N 3.28Å; K349-K351 HydrophobicContact CB-CD 4.43Å; K349-K351 HydrophobicContact CB-CG 4.12Å; K349-K351 PolarHBondContact O-N 3.03Å; K351-Q353 PolarHBondContact O-N 2.71Å; K351-Q353 VanDerWaalsContact O-N 3.08Å; K351-I354 PolarHBondContact O-N 2.97Å
352	P	91.4	Very high	91.8	Very high	131 Å²	131	59.2 Å²	59.2	85%	0.851	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	-174.3	26.5	-36.2	0	0	0	114.6	I354	P352-I354 PolarHBondContact O-N 2.69Å
353	Q	91.7	Very high	91.7	Very high	60 Å²	60	62 Å²	62	28%	0.28	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11	175.3	-67.9	164.3	-28	0	0	113	Y194 T195 D197 K351	Y194-Q353 HydrophobicContact CD2-CB 4.32Å; Y194-Q353 HydrophobicContact CE2-CB 4.05Å; T195-Q353 PolarHBondContact N-O 2.95Å; D197-Q353 PolarHBondContact OD1-NE2 2.94Å; K351-Q353 PolarHBondContact O-N 2.71Å; K351-Q353 VanDerWaalsContact O-N 3.08Å
354	I	94.1	Very high	91.5	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.6	-179.4	-62.8	-70.7	0	0	0	109.8	L192 L193 Y194 V343 L346 A347 K351 P352 M356	L192-I354 HydrophobicContact CD2-CG2 4.25Å; L193-I354 WeakPolarHBondContact O-CA 3.41Å; Y194-I354 HydrophobicContact CD2-CD1 3.46Å; Y194-I354 VanDerWaalsContact CD2-CD1 3.46Å; Y194-I354 HydrophobicContact CD2-CG1 4.32Å; Y194-I354 HydrophobicContact CE2-CD1 4.48Å; Y194-I354 HydrophobicContact CG-CD1 3.87Å; V343-I354 HydrophobicContact CG1-CD1 3.68Å; L346-I354 HydrophobicContact CB-CD1 4.25Å; L346-I354 HydrophobicContact CB-CG1 3.52Å; L346-I354 HydrophobicContact CD1-CD1 4.49Å; L346-I354 HydrophobicContact CD1-CG1 4.29Å; A347-I354 HydrophobicContact CB-CG2 4Å; K351-I354 PolarHBondContact O-N 2.97Å; P352-I354 PolarHBondContact O-N 2.69Å; I354-M356 HydrophobicContact CG2-CG 4.12Å
355	L	92.8	Very high	91.2	Very high	89 Å²	89	66.4 Å²	66.4	47%	0.466	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.7	166.8	178.9	62.3	0	0	0	109.1	L193 M357	L193-L355 HydrophobicContact CB-CB 4.24Å; L193-L355 HydrophobicContact CD2-CD2 4.35Å; L193-L355 PolarHBondContact N-O 3.28Å; L193-L355 PolarHBondContact O-N 2.8Å; L355-M357 HydrophobicContact CD2-CE 3.37Å; L355-M357 HydrophobicContact CG-CE 3.98Å; L355-M357 HydrophobicContact CG-CG 4.37Å
356	M	92.1	Very high	90.5	Very high	58 Å²	58	69.1 Å²	69.1	29%	0.286	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.9	174.2	-60.1	-170.6	-79	0	0	109.6	L192 A347 H350 I354 V360 F362	L192-M356 HydrophobicContact CD2-CB 4.16Å; L192-M356 HydrophobicContact CD2-CG 3.57Å; L192-M356 HydrophobicContact CD2-SD 4.43Å; A347-M356 HydrophobicContact CB-SD 4.46Å; H350-M356 WeakPolarHBondContact CD2-CE 3.1Å; H350-M356 VanDerWaalsContact NE2-CE 3.35Å; H350-M356 WeakPolarHBondContact NE2-CE 3.42Å; I354-M356 HydrophobicContact CG2-CG 4.12Å; M356-V360 HydrophobicContact CB-CG2 4.24Å; M356-V360 HydrophobicContact SD-CB 4.45Å; M356-F362 HydrophobicContact SD-CE2 4.4Å; M356-F362 HydrophobicContact SD-CZ 3.82Å
357	M	88.8	Confident	89.5	Confident	62 Å²	62	69 Å²	69	31%	0.305	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139	178	-61.1	-164.2	-176.5	0	0	110.9	S190 A191 L193 L316 L355	S190-M357 WeakPolarHBondContact CA-O 3.45Å; S190-M357 VanDerWaalsContact CB-O 3.29Å; S190-M357 WeakPolarHBondContact CB-O 3.46Å; A191-M357 PolarHBondContact N-O 2.65Å; A191-M357 PolarHBondContact O-N 3.28Å; L193-M357 HydrophobicContact CD2-CE 4.5Å; L316-M357 HydrophobicContact CD1-CE 3.47Å; L316-M357 VanDerWaalsContact CD1-CE 3.47Å; L316-M357 HydrophobicContact CD1-SD 3.57Å; L316-M357 VanDerWaalsContact CD1-SD 3.57Å; L316-M357 HydrophobicContact CD2-CE 4.24Å; L316-M357 HydrophobicContact CD2-SD 3.27Å; L316-M357 WeakPolarHBondContact CD2-SD 3.46Å; L316-M357 HydrophobicContact CG-CE 4.45Å; L316-M357 HydrophobicContact CG-SD 4.04Å; L355-M357 HydrophobicContact CD2-CE 3.37Å; L355-M357 HydrophobicContact CG-CE 3.98Å; L355-M357 HydrophobicContact CG-CG 4.37Å
358	G	85.8	Confident	88.5	Confident	66 Å²	66	78.4 Å²	78.4	68%	0.68	42%	0.423	S	S	*	.	S	Bend	trans	70.2	-161	-172.9	0	0	0	0	0	112.2	V360	G358-V360 PolarHBondContact O-N 3.06Å
359	N	82.9	Confident	87.7	Confident	130 Å²	130	80.7 Å²	80.7	70%	0.695	44%	0.442	S	S	*	.			trans	-94.7	84.4	-179.3	-169.8	16.7	0	0	0	110.8
360	V	85.1	Confident	86.9	Confident	18 Å²	18	77.2 Å²	77.2	11%	0.109	43%	0.43	C	S	.	.			trans	-78.2	127.6	175.8	-179	0	0	0	0	109.4	V184 L192 M356 G358 F362	V184-V360 HydrophobicContact CG2-CG1 3.26Å; L192-V360 HydrophobicContact CD2-CG1 4.26Å; L192-V360 HydrophobicContact CD2-CG2 4.11Å; M356-V360 HydrophobicContact CB-CG2 4.24Å; M356-V360 HydrophobicContact SD-CB 4.45Å; G358-V360 PolarHBondContact O-N 3.06Å; V360-F362 HydrophobicContact CG1-CE1 4.45Å; V360-F362 HydrophobicContact CG1-CZ 4.47Å
361	S	92.3	Very high	86.5	Confident	34 Å²	34	72.4 Å²	72.4	24%	0.238	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-114.2	152.8	174	92.6	0	0	0	0	111.5	V184 Y185 S363	V184-S361 CarbonylContact C-O 3.6Å; V184-S361 WeakPolarHBondContact CA-O 3.37Å; Y185-S361 WeakPolarHBondContact CB-OG 3.45Å; Y185-S361 PolarHBondContact N-O 3.17Å; S361-S363 PolarHBondContact OG-O 3.42Å
362	F	93.2	Very high	86	Confident	64 Å²	64	72.1 Å²	72.1	28%	0.281	42%	0.417	S	S	.	.	S	Bend	trans	-103.7	22.3	-176.6	-64.9	-66.5	0	0	0	113.4	V183 V184 A347 K348 M356 V360	V183-F362 CarbonylContact O-C 3.53Å; V183-F362 WeakPolarHBondContact O-CA 3.27Å; V184-F362 HydrophobicContact CB-CD1 4.43Å; V184-F362 HydrophobicContact CG2-CE1 4.48Å; A347-F362 HydrophobicContact CB-CE1 3.94Å; A347-F362 HydrophobicContact CB-CZ 4.11Å; K348-F362 HydrophobicContact CB-CD1 4.43Å; K348-F362 HydrophobicContact CB-CE1 4.23Å; K348-F362 HydrophobicContact CB-CZ 4.39Å; K348-F362 HydrophobicContact CD-CD1 4.05Å; K348-F362 HydrophobicContact CD-CG 4.33Å; K348-F362 HydrophobicContact CG-CB 4.31Å; K348-F362 HydrophobicContact CG-CD1 3.22Å; K348-F362 HydrophobicContact CG-CD2 4.15Å; K348-F362 HydrophobicContact CG-CE1 3.39Å; K348-F362 HydrophobicContact CG-CE2 4.29Å; K348-F362 HydrophobicContact CG-CG 3.62Å; K348-F362 HydrophobicContact CG-CZ 3.93Å; M356-F362 HydrophobicContact SD-CE2 4.4Å; M356-F362 HydrophobicContact SD-CZ 3.82Å; V360-F362 HydrophobicContact CG1-CE1 4.45Å; V360-F362 HydrophobicContact CG1-CZ 4.47Å
363	S	91.1	Very high	85.6	Confident	78 Å²	78	71.1 Å²	71.1	55%	0.545	41%	0.409	S	S	.	.	S	Bend	trans	-131.7	134.6	177.8	57.5	0	0	0	0	109.3	Y185 S361 P365	Y185-S363 WeakPolarHBondContact CB-O 3.4Å; S361-S363 PolarHBondContact OG-O 3.42Å; S363-P365 WeakPolarHBondContact O-CD 3.49Å
364	C	90.2	Very high	85.2	Confident	39 Å²	39	72.2 Å²	72.2	26%	0.264	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-85.2	118	175.1	-167.5	0	0	0	0	110.4	V183 W272 C332	V183-C364 HydrophobicContact CG1-CB 3.92Å; W272-C364 HydrophobicContact CZ2-CB 4.46Å; C332-C364 HydrophobicContact CB-CB 3.81Å; C332-C364 WeakPolarHBondContact CB-SG 3.17Å; C332-C364 WeakPolarHBondContact SG-CA 3.33Å; C332-C364 WeakPolarHBondContact SG-CB 3.45Å; C332-C364 CovalentContact SG-SG 2.03Å; C332-C364 PolarHBondContact SG-SG 2.68Å
365	P	88	Confident	84.2	Confident	52 Å²	52	77.1 Å²	77.1	34%	0.338	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64	142.8	177.8	25.4	-32	0	0	0	110.9	Y185 M215 S363	Y185-P365 HydrophobicContact CD2-CG 3.71Å; Y185-P365 HydrophobicContact CE1-CG 4.47Å; Y185-P365 HydrophobicContact CE2-CG 3.46Å; Y185-P365 VanDerWaalsContact CE2-CG 3.46Å; Y185-P365 HydrophobicContact CG-CG 4.3Å; M215-P365 WeakPolarHBondContact CE-O 3.48Å; S363-P365 WeakPolarHBondContact O-CD 3.49Å
366	Q	78.8	Confident	83	Confident	115 Å²	115	75.4 Å²	75.4	54%	0.537	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-79.4	133.6	171.4	-71.5	-172.3	-0.9	0	0	110
367	P	72.3	Confident	81.7	Confident	26 Å²	26	74.7 Å²	74.7	17%	0.169	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.8	179.2	26.5	-31.8	0	0	0	111.2
368	Q	73.5	Confident	80.7	Confident	197 Å²	197	79.5 Å²	79.5	92%	0.921	45%	0.449	S	S	*	.	S	Bend	trans	-74.9	-31.1	178.2	-70.5	-174.2	-6.3	0	0	112.5
369	T	76.1	Confident	80.3	Confident	109 Å²	109	78.1 Å²	78.1	67%	0.669	43%	0.429	S	S	*	.	S	Bend	trans	-114.8	134.6	178.9	53	0	0	0	0	110.1	Q270	Q270-T369 PolarHBondContact OE1-O 3.35Å
370	V	77.9	Confident	80.4	Confident	47 Å²	47	76.6 Å²	76.6	29%	0.285	42%	0.415	S	S	.	.			trans	-112.3	125.9	179.1	174.7	0	0	0	0	108.6	R118 N119	R118-V370 HydrophobicContact CB-CG2 3.9Å; N119-V370 HydrophobicContact CB-CG1 3.76Å; N119-V370 HydrophobicContact CB-CG2 4.09Å; N119-V370 WeakPolarHBondContact OD1-CG1 3.5Å
371	P	83.3	Confident	80.5	Confident	33 Å²	33	78.7 Å²	78.7	21%	0.214	43%	0.425	C	S	.	.			trans	-68.7	138.2	176.8	29.4	-34.1	0	0	0	110.6	W453	P371-W453 HydrophobicContact CB-CH2 3.79Å; P371-W453 HydrophobicContact CB-CZ2 3.97Å
372	V	83.9	Confident	80.2	Confident	88 Å²	88	79.4 Å²	79.4	53%	0.533	43%	0.433	S	S	.	.			trans	-106.3	130.6	174.1	-179.7	0	0	0	0	108.9	F374	V372-F374 HydrophobicContact CG1-CE2 4.42Å; V372-F374 HydrophobicContact CG1-CZ 4.36Å
373	T	83.4	Confident	80	Confident	109 Å²	109	79.8 Å²	79.8	67%	0.669	44%	0.437	S	S	*	.			trans	-104.4	119	178.2	-58.3	0	0	0	0	110.7	L375	T373-L375 HydrophobicContact CG2-CD2 3.77Å; T373-L375 HydrophobicContact CG2-CG 4.34Å; T373-L375 PolarHBondContact O-N 3.2Å
374	F	83.2	Confident	79.8	Confident	83 Å²	83	81.4 Å²	81.4	36%	0.364	45%	0.446	S	S	.	.			trans	-84.9	98.5	172	-61.5	-86.4	0	0	0	109.4	V372 S376 S379 L381 F491	V372-F374 HydrophobicContact CG1-CE2 4.42Å; V372-F374 HydrophobicContact CG1-CZ 4.36Å; F374-S376 VanDerWaalsContact C-N 3.28Å; F374-S376 PolarHBondContact O-N 2.83Å; F374-S379 VanDerWaalsContact CD1-O 3.31Å; F374-S379 WeakPolarHBondContact CD1-O 3.48Å; F374-L381 HydrophobicContact CE1-CB 4.02Å; F374-L381 HydrophobicContact CZ-CB 3.9Å; F374-F491 WeakPolarHBondContact CE1-O 3.3Å; F374-F491 HydrophobicContact CZ-CB 3.86Å
375	L	72.7	Confident	79.3	Confident	123 Å²	123	80.3 Å²	80.3	64%	0.644	44%	0.441	S	S	*	.			trans	-74.9	-15.6	-174.8	-66	174.3	0	0	0	114	T373	T373-L375 HydrophobicContact CG2-CD2 3.77Å; T373-L375 HydrophobicContact CG2-CG 4.34Å; T373-L375 PolarHBondContact O-N 3.2Å
376	S	68.3	Low	78.8	Confident	52 Å²	52	82.6 Å²	82.6	36%	0.364	45%	0.45	S	S	.	.	S	Bend	trans	-146.1	159.5	178.4	71.2	0	0	0	0	111.4	F374 R378 S379	F374-S376 VanDerWaalsContact C-N 3.28Å; F374-S376 PolarHBondContact O-N 2.83Å; S376-R378 PolarHBondContact O-N 2.85Å; S376-R378 PolarHBondContact OG-N 2.85Å; S376-S379 PolarHBondContact N-OG 3Å; S376-S379 WeakPolarHBondContact O-CB 3.4Å; S376-S379 PolarHBondContact O-N 3.37Å; S376-S379 PolarHBondContact O-OG 2.97Å; S376-S379 PolarHBondContact OG-OG 3.47Å
377	S	65.7	Low	78.5	Confident	44 Å²	44	80.7 Å²	80.7	31%	0.308	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	0.8	174.1	56.4	0	0	0	0	114.8	A493 Q497 S519	S377-A493 WeakPolarHBondContact O-CB 3.48Å; S377-Q497 PolarHBondContact OG-NE2 2.93Å; S377-S519 WeakPolarHBondContact CA-OG 3.43Å; S377-S519 WeakPolarHBondContact CB-OG 3.22Å
378	R	67.4	Low	78.2	Confident	162 Å²	162	82.5 Å²	82.5	61%	0.611	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-3.2	175.4	-64.7	179.6	-73.7	-175.2	-6	112.8	S376	S376-R378 PolarHBondContact O-N 2.85Å; S376-R378 PolarHBondContact OG-N 2.85Å
379	S	77	Confident	78.2	Confident	37 Å²	37	77.3 Å²	77.3	26%	0.259	45%	0.449	S	S	.	.			trans	-83.5	131.2	-177	-49.9	0	0	0	0	108.3	F374 S376	F374-S379 VanDerWaalsContact CD1-O 3.31Å; F374-S379 WeakPolarHBondContact CD1-O 3.48Å; S376-S379 PolarHBondContact N-OG 3Å; S376-S379 WeakPolarHBondContact O-CB 3.4Å; S376-S379 PolarHBondContact O-N 3.37Å; S376-S379 PolarHBondContact O-OG 2.97Å; S376-S379 PolarHBondContact OG-OG 3.47Å
380	Y	84.2	Confident	78.3	Confident	99 Å²	99	75.5 Å²	75.5	39%	0.388	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159	173.8	71.9	-85	0	0	0	111.2	A382 Y490 F491 A493 L494	Y380-A382 HydrophobicContact CD2-CB 4.45Å; Y380-A382 HydrophobicContact CE2-CB 4.25Å; Y380-Y490 HydrophobicContact CD2-CD1 4.01Å; Y380-Y490 HydrophobicContact CE2-CD1 4.23Å; Y380-Y490 HydrophobicContact CE2-CE1 4.42Å; Y380-F491 CarbonylContact C-O 3.6Å; Y380-F491 WeakPolarHBondContact CA-O 3.1Å; Y380-F491 WeakPolarHBondContact CB-O 3.47Å; Y380-A493 WeakPolarHBondContact CB-O 3.37Å; Y380-L494 HydrophobicContact CD2-CD1 4.42Å
381	L	87.2	Confident	78.5	Confident	61 Å²	61	76.4 Å²	76.4	32%	0.319	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.3	174.6	176	68.3	0	0	0	107.7	F374 L383 Y490 F491	F374-L381 HydrophobicContact CE1-CB 4.02Å; F374-L381 HydrophobicContact CZ-CB 3.9Å; L381-L383 HydrophobicContact CD1-CD2 4.15Å; L381-L383 HydrophobicContact CD2-CD1 4.08Å; L381-L383 HydrophobicContact CD2-CD2 4.07Å; L381-L383 HydrophobicContact CD2-CG 4.1Å; L381-L383 HydrophobicContact CG-CD2 3.97Å; L381-L383 HydrophobicContact CG-CG 4Å; L381-Y490 CarbonylContact O-C 3.53Å; L381-Y490 WeakPolarHBondContact O-CA 3.14Å; L381-F491 HydrophobicContact CB-CB 4.29Å; L381-F491 PolarHBondContact N-O 3.4Å; L381-F491 PolarHBondContact O-N 3.22Å
382	A	87.2	Confident	78.6	Confident	49 Å²	49	74.9 Å²	74.9	41%	0.405	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.4	172.9	0	0	0	0	0	109.1	Y380 T488 Y489 Y490	Y380-A382 HydrophobicContact CD2-CB 4.45Å; Y380-A382 HydrophobicContact CE2-CB 4.25Å; A382-T488 HydrophobicContact CB-CG2 4.04Å; A382-Y489 CarbonylContact C-O 3.45Å; A382-Y489 WeakPolarHBondContact CA-O 3.3Å; A382-Y490 HydrophobicContact CB-CD1 3.78Å; A382-Y490 HydrophobicContact CB-CE1 3.75Å
383	L	87.6	Confident	78.8	Confident	72 Å²	72	73.3 Å²	73.3	38%	0.377	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.4	177.1	-63.5	179.3	0	0	0	109.7	L381 G385 T488 Y489 F491	L381-L383 HydrophobicContact CD1-CD2 4.15Å; L381-L383 HydrophobicContact CD2-CD1 4.08Å; L381-L383 HydrophobicContact CD2-CD2 4.07Å; L381-L383 HydrophobicContact CD2-CG 4.1Å; L381-L383 HydrophobicContact CG-CD2 3.97Å; L381-L383 HydrophobicContact CG-CG 4Å; L383-G385 PolarHBondContact O-N 2.98Å; L383-T488 WeakPolarHBondContact O-CA 3.05Å; L383-T488 WeakPolarHBondContact O-CG2 3.37Å; L383-Y489 PolarHBondContact N-O 3.46Å; L383-Y489 PolarHBondContact O-N 2.57Å; L383-F491 HydrophobicContact CD1-CD2 4.08Å; L383-F491 HydrophobicContact CD1-CE2 3.87Å
384	P	87.3	Confident	79.1	Confident	113 Å²	113	68.8 Å²	68.8	73%	0.734	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	137	174.7	27.5	-33.8	0	0	0	110.2
385	G	80.8	Confident	79.5	Confident	15 Å²	15	69.1 Å²	69.1	16%	0.155	40%	0.399	C	S	.	.			trans	-97.9	164.1	172.7	0	0	0	0	0	111.9	L383 S387 D487	L383-G385 PolarHBondContact O-N 2.98Å; G385-S387 PolarHBondContact O-N 3.16Å; G385-D487 PolarHBondContact N-O 3.44Å
386	N	78.1	Confident	80.4	Confident	100 Å²	100	64.7 Å²	64.7	54%	0.535	38%	0.375	S	S	.	.			trans	-86	102	172.2	-70.5	3.6	0	0	0	108.6	E389 S485	N386-E389 HydrophobicContact CB-CG 4.39Å; N386-E389 WeakPolarHBondContact CB-OE1 3.1Å; N386-E389 PolarHBondContact ND2-OE1 3.41Å; N386-S485 WeakPolarHBondContact O-CB 3.1Å; N386-S485 PolarHBondContact O-OG 3.28Å
387	S	71.4	Confident	81.5	Confident	76 Å²	76	68.1 Å²	68.1	53%	0.531	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	134.8	178.1	63.4	0	0	0	0	111.5	G385 S485 D487	G385-S387 PolarHBondContact O-N 3.16Å; S387-S485 WeakPolarHBondContact CA-O 3.43Å; S387-D487 WeakPolarHBondContact CB-OD1 3.48Å
388	G	65.4	Low	82.8	Confident	63 Å²	63	66.8 Å²	66.8	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	8.6	170	0	0	0	0	0	116.2	S485	G388-S485 PolarHBondContact N-O 3.44Å
389	E	74.9	Confident	83.8	Confident	88 Å²	88	61.8 Å²	61.8	41%	0.411	36%	0.355	S	S	.	.			trans	-81.5	141.1	165.5	-68.3	-174.1	-158.6	0	0	110.9	N386 K391 S485	N386-E389 HydrophobicContact CB-CG 4.39Å; N386-E389 WeakPolarHBondContact CB-OE1 3.1Å; N386-E389 PolarHBondContact ND2-OE1 3.41Å; E389-K391 PolarHBondContact O-N 3.02Å; E389-K391 VanDerWaalsContact O-N 3.12Å; E389-S485 PolarHBondContact O-N 2.98Å
390	D	76.8	Confident	84.4	Confident	72 Å²	72	61.4 Å²	61.4	39%	0.385	35%	0.351	S	S	.	.	S	Bend	trans	-76.9	13.5	176	76.3	-31.2	0	0	0	113.4	W462 I483	D390-W462 PolarHBondContact OD2-NE1 2.61Å; D390-I483 CarbonylContact C-O 3.55Å; D390-I483 VanDerWaalsContact C-O 3.28Å
391	K	82.4	Confident	84.5	Confident	66 Å²	66	63.9 Å²	63.9	29%	0.287	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.9	-176.8	179.1	-175.5	179.8	-156.1	0	108.9	E389 S393 A460 K461	E389-K391 PolarHBondContact O-N 3.02Å; E389-K391 VanDerWaalsContact O-N 3.12Å; K391-S393 PolarHBondContact NZ-OG 3.16Å; K391-A460 WeakPolarHBondContact CA-O 3.39Å; K391-K461 HydrophobicContact CB-CB 4.33Å; K391-K461 HydrophobicContact CB-CD 4.43Å; K391-K461 HydrophobicContact CB-CG 4.25Å; K391-K461 HydrophobicContact CD-CD 4.43Å; K391-K461 HydrophobicContact CG-CB 4.09Å; K391-K461 HydrophobicContact CG-CG 4.47Å
392	V	85.1	Confident	84.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.4	161.7	-179.8	0	0	0	0	107.4	V394 L412 F419 F458 S459 A460 I483 Y489	V392-V394 HydrophobicContact CG1-CG2 4.24Å; V392-L412 HydrophobicContact CG2-CD2 4.16Å; V392-F419 HydrophobicContact CG1-CE1 3.89Å; V392-F419 HydrophobicContact CG1-CZ 3.81Å; V392-F419 HydrophobicContact CG2-CE1 4.42Å; V392-F458 HydrophobicContact CB-CE1 4.21Å; V392-F458 HydrophobicContact CB-CZ 4.35Å; V392-F458 HydrophobicContact CG1-CD1 4.36Å; V392-F458 HydrophobicContact CG1-CE1 3.52Å; V392-F458 HydrophobicContact CG1-CZ 4.14Å; V392-S459 CarbonylContact O-C 3.49Å; V392-S459 WeakPolarHBondContact O-CA 3.14Å; V392-S459 WeakPolarHBondContact O-CB 3.34Å; V392-A460 PolarHBondContact N-O 2.91Å; V392-A460 PolarHBondContact O-N 2.96Å; V392-I483 HydrophobicContact CG2-CG2 3.88Å; V392-Y489 HydrophobicContact CG1-CE1 4.26Å
393	S	87.8	Confident	84.1	Confident	55 Å²	55	72.3 Å²	72.3	39%	0.385	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	112.7	177.6	-156.4	0	0	0	0	109.1	K391 F458	K391-S393 PolarHBondContact NZ-OG 3.16Å; S393-F458 CarbonylContact C-O 3.52Å; S393-F458 WeakPolarHBondContact CA-O 3.43Å
394	V	89.8	Confident	83.8	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.085	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.2	-179.8	-173.7	0	0	0	0	109	V392 F396 L408 F458 Y489 F491	V392-V394 HydrophobicContact CG1-CG2 4.24Å; V394-F396 HydrophobicContact CG1-CD1 4.23Å; V394-L408 HydrophobicContact CB-CD2 3.95Å; V394-L408 HydrophobicContact CG1-CD2 3.76Å; V394-L408 HydrophobicContact CG2-CD2 4.18Å; V394-F458 PolarHBondContact N-O 2.93Å; V394-F458 PolarHBondContact O-N 2.84Å; V394-Y489 HydrophobicContact CG2-CD2 4.47Å; V394-Y489 HydrophobicContact CG2-CE1 4.25Å; V394-Y489 HydrophobicContact CG2-CE2 4.15Å; V394-F491 HydrophobicContact CG1-CZ 3.9Å
395	T	91.9	Very high	83.4	Confident	90 Å²	90	64.9 Å²	64.9	55%	0.552	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	129	178.1	-52.1	0	0	0	0	109.4	V456 S457	T395-V456 CarbonylContact C-O 3.58Å; T395-V456 VanDerWaalsContact CA-O 3.31Å; T395-V456 WeakPolarHBondContact CA-O 3.32Å; T395-S457 PolarHBondContact OG1-OG 3.25Å
396	F	92.1	Very high	83.5	Confident	30 Å²	30	65 Å²	65	13%	0.132	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168.1	179.4	66.8	-82.1	0	0	0	110.7	V394 F398 L407 L408 L421 V456 F491	V394-F396 HydrophobicContact CG1-CD1 4.23Å; F396-F398 HydrophobicContact CD2-CB 4.31Å; F396-F398 HydrophobicContact CE2-CB 4.07Å; F396-F398 HydrophobicContact CE2-CD1 4.12Å; F396-F398 HydrophobicContact CE2-CG 4.35Å; F396-L407 HydrophobicContact CZ-CB 4.37Å; F396-L408 HydrophobicContact CE1-CD2 4.4Å; F396-L421 HydrophobicContact CE1-CD2 3.79Å; F396-L421 HydrophobicContact CZ-CD2 3.65Å; F396-V456 HydrophobicContact CD1-CB 4.44Å; F396-V456 HydrophobicContact CE1-CB 4.07Å; F396-V456 HydrophobicContact CE1-CG1 4.02Å; F396-V456 HydrophobicContact CE2-CB 4.42Å; F396-V456 HydrophobicContact CZ-CB 4.05Å; F396-V456 HydrophobicContact CZ-CG1 4.13Å; F396-V456 HydrophobicContact CZ-CG2 4.44Å; F396-V456 PolarHBondContact N-O 3.06Å; F396-V456 PolarHBondContact O-N 2.82Å; F396-V456 VanDerWaalsContact O-O 3.1Å; F396-F491 HydrophobicContact CB-CE1 4.11Å; F396-F491 AromaticContact CD1-CE1 3.78Å; F396-F491 HydrophobicContact CD1-CE1 3.78Å; F396-F491 HydrophobicContact CD1-CZ 4.33Å; F396-F491 HydrophobicContact CD2-CE1 4.06Å; F396-F491 HydrophobicContact CE1-CE1 4.16Å; F396-F491 HydrophobicContact CE2-CE1 4.42Å; F396-F491 AromaticContact CG-CE1 3.72Å; F396-F491 HydrophobicContact CG-CE1 3.72Å; F396-F491 HydrophobicContact CG-CZ 4.44Å; F396-F491 HydrophobicContact CZ-CE1 4.47Å
397	Q	91.7	Very high	84	Confident	125 Å²	125	61.6 Å²	61.6	58%	0.584	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	171	-65.6	179.5	-7.2	0	0	109.6	W453 H454	Q397-W453 HydrophobicContact CB-CE3 3.88Å; Q397-W453 HydrophobicContact CB-CZ3 4.18Å; Q397-H454 CarbonylContact C-O 3.55Å; Q397-H454 VanDerWaalsContact CA-O 3.22Å; Q397-H454 WeakPolarHBondContact CA-O 3.49Å
398	F	91.9	Very high	84.9	Confident	16 Å²	16	58 Å²	58	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.1	173.8	82.1	-72.5	0	0	0	111.3	F396 T400 L407 L423 L428 L448 H454 V456	F396-F398 HydrophobicContact CD2-CB 4.31Å; F396-F398 HydrophobicContact CE2-CB 4.07Å; F396-F398 HydrophobicContact CE2-CD1 4.12Å; F396-F398 HydrophobicContact CE2-CG 4.35Å; F398-T400 HydrophobicContact CD2-CG2 4.19Å; F398-T400 HydrophobicContact CE2-CG2 3.95Å; F398-L407 HydrophobicContact CD1-CD1 4.36Å; F398-L407 HydrophobicContact CD2-CD1 4.04Å; F398-L407 HydrophobicContact CD2-CD2 4.27Å; F398-L407 HydrophobicContact CE1-CD1 4.31Å; F398-L407 HydrophobicContact CE2-CD1 3.97Å; F398-L407 HydrophobicContact CG-CD1 4.23Å; F398-L407 HydrophobicContact CZ-CD1 4.1Å; F398-L423 HydrophobicContact CE2-CD2 4.43Å; F398-L423 HydrophobicContact CZ-CD1 4.44Å; F398-L428 HydrophobicContact CE1-CD1 4.04Å; F398-L428 HydrophobicContact CE1-CD2 4.35Å; F398-L428 HydrophobicContact CZ-CD1 4.35Å; F398-L428 HydrophobicContact CZ-CD2 4.07Å; F398-L428 HydrophobicContact CZ-CG 4.41Å; F398-L448 HydrophobicContact CZ-CB 3.93Å; F398-L448 HydrophobicContact CZ-CD1 4.38Å; F398-H454 HydrophobicContact CD1-CB 4.27Å; F398-H454 HydrophobicContact CE1-CB 3.89Å; F398-H454 HydrophobicContact CZ-CB 4.48Å; F398-H454 PolarHBondContact N-O 3.31Å; F398-H454 PolarHBondContact O-N 3.04Å; F398-V456 HydrophobicContact CD1-CG2 3.56Å; F398-V456 HydrophobicContact CE1-CG2 3.38Å
399	R	89.4	Confident	85.9	Confident	56 Å²	56	55.4 Å²	55.4	21%	0.211	27%	0.268	C	S	.	.			trans	-141.7	142.1	168.1	64.8	177.1	179.3	-179.2	-1.5	109.2	L266 D268 Q452 W453	L266-R399 VanDerWaalsContact CD2-CZ 3.49Å; D268-R399 IonicContact OD1-CZ 2.7Å; D268-R399 IonicContact OD1-NH1 3.87Å; D268-R399 PolarHBondContact OD1-NH1 3.45Å; D268-R399 IonicContact OD1-NH2 2.86Å; D268-R399 IonicContact OD2-NH1 3.71Å; D268-R399 PolarHBondContact OD2-NH1 3.17Å; R399-Q452 VanDerWaalsContact CA-O 3.31Å; R399-Q452 WeakPolarHBondContact CA-O 3.4Å; R399-Q452 WeakPolarHBondContact CB-O 3.48Å; R399-W453 HydrophobicContact CB-CD2 4.23Å; R399-W453 HydrophobicContact CB-CE3 4.2Å; R399-W453 HydrophobicContact CG-CD2 4.13Å; R399-W453 HydrophobicContact CG-CE3 4.17Å; R399-W453 HydrophobicContact CG-CH2 4.27Å; R399-W453 HydrophobicContact CG-CZ2 4.22Å; R399-W453 HydrophobicContact CG-CZ3 4.25Å
400	T	89.2	Confident	86.2	Confident	30 Å²	30	51.2 Å²	51.2	18%	0.184	25%	0.248	C	C	.	.			trans	-158.6	157.2	178.3	-170.4	0	0	0	0	111.6	F398 N402 L423 N449 G451	F398-T400 HydrophobicContact CD2-CG2 4.19Å; F398-T400 HydrophobicContact CE2-CG2 3.95Å; T400-N402 WeakPolarHBondContact OG1-CB 3.16Å; T400-N402 PolarHBondContact OG1-N 2.8Å; T400-L423 HydrophobicContact CG2-CD2 3.47Å; T400-L423 VanDerWaalsContact CG2-CD2 3.47Å; T400-N449 HydrophobicContact CG2-CB 4.4Å; T400-N449 CarbonylContact O-C 3.5Å; T400-N449 WeakPolarHBondContact O-CA 3.31Å; T400-G451 PolarHBondContact O-N 3.05Å
401	W	86.5	Confident	86.4	Confident	151 Å²	151	53.3 Å²	53.3	57%	0.572	26%	0.255	S	S	*	.	S	Bend	trans	-100.4	-10.3	165.1	-65.7	103.6	0	0	0	111.9	R403 D450	W401-R403 PolarHBondContact O-N 2.82Å; W401-D450 WeakPolarHBondContact CH2-O 3Å; W401-D450 VanDerWaalsContact CZ3-C 3.43Å; W401-D450 VanDerWaalsContact CZ3-O 3.3Å; W401-D450 WeakPolarHBondContact CZ3-O 3.31Å
402	N	83.3	Confident	86.2	Confident	100 Å²	100	50.3 Å²	50.3	54%	0.535	24%	0.243	S	C	.	.			trans	-69.9	133.2	-178.2	-63.7	-12.7	0	0	0	109.5	T400 A404 L423 N449	T400-N402 WeakPolarHBondContact OG1-CB 3.16Å; T400-N402 PolarHBondContact OG1-N 2.8Å; N402-A404 VanDerWaalsContact C-N 3.27Å; N402-A404 WeakPolarHBondContact CB-O 3.43Å; N402-A404 PolarHBondContact O-N 2.82Å; N402-L423 WeakPolarHBondContact O-CD2 3.39Å; N402-N449 VanDerWaalsContact O-CB 3.24Å; N402-N449 WeakPolarHBondContact O-CB 3.32Å
403	R	82.7	Confident	85.7	Confident	187 Å²	187	52.5 Å²	52.5	71%	0.706	25%	0.253	S	S	*	.	S	Bend	trans	-72.4	-22.9	178.7	-66	-175.3	179.4	-176.4	0.3	112.9	W401 K424 D425 G426	W401-R403 PolarHBondContact O-N 2.82Å; R403-K424 CarbonylContact O-C 3.56Å; R403-D425 WeakPolarHBondContact O-CA 3.25Å; R403-D425 PolarHBondContact O-N 3.01Å; R403-G426 PolarHBondContact O-N 2.86Å
404	A	81.1	Confident	84.7	Confident	19 Å²	19	60.9 Å²	60.9	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.5	177	0	0	0	0	0	111.3	N402 L423 S519 P521	N402-A404 VanDerWaalsContact C-N 3.27Å; N402-A404 WeakPolarHBondContact CB-O 3.43Å; N402-A404 PolarHBondContact O-N 2.82Å; A404-L423 CarbonylContact C-O 3.56Å; A404-L423 WeakPolarHBondContact CA-O 3.19Å; A404-L423 WeakPolarHBondContact CB-O 3.44Å; A404-S519 CarbonylContact C-O 3.55Å; A404-S519 VanDerWaalsContact O-O 3.13Å; A404-P521 HydrophobicContact CB-CB 4.34Å
405	G	80.1	Confident	83.4	Confident	9 Å²	9	63.5 Å²	63.5	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	144.6	173.7	0	0	0	0	0	114.3	L407 F422 L423 S519	G405-L407 PolarHBondContact O-N 2.7Å; G405-F422 CarbonylContact O-C 3.48Å; G405-F422 WeakPolarHBondContact O-CA 3.5Å; G405-L423 PolarHBondContact N-O 3.09Å; G405-L423 PolarHBondContact O-N 2.85Å; G405-S519 WeakPolarHBondContact CA-O 3.5Å; G405-S519 PolarHBondContact N-O 2.82Å
406	H	82.1	Confident	82.3	Confident	18 Å²	18	61.6 Å²	61.6	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.9	169.1	-82.6	-90.6	0	0	0	110.6	V420 D515 L522	H406-V420 VanDerWaalsContact CE1-CG1 3.47Å; H406-V420 WeakPolarHBondContact CE1-CG1 3.38Å; H406-V420 WeakPolarHBondContact ND1-CG1 3.23Å; H406-D515 IonicContact CD2-OD2 3.56Å; H406-D515 IonicContact NE2-OD2 3.67Å; H406-L522 PolarHBondContact NE2-O 2.99Å
407	L	88.7	Confident	81.6	Confident	29 Å²	29	60.9 Å²	60.9	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-45.2	179	-63.3	-175	0	0	0	112	F396 F398 G405 L421 L423 L428 F491 G492	F396-L407 HydrophobicContact CZ-CB 4.37Å; F398-L407 HydrophobicContact CD1-CD1 4.36Å; F398-L407 HydrophobicContact CD2-CD1 4.04Å; F398-L407 HydrophobicContact CD2-CD2 4.27Å; F398-L407 HydrophobicContact CE1-CD1 4.31Å; F398-L407 HydrophobicContact CE2-CD1 3.97Å; F398-L407 HydrophobicContact CG-CD1 4.23Å; F398-L407 HydrophobicContact CZ-CD1 4.1Å; G405-L407 PolarHBondContact O-N 2.7Å; L407-L421 PolarHBondContact N-O 3.23Å; L407-L423 HydrophobicContact CD1-CB 4.5Å; L407-L428 HydrophobicContact CD1-CD2 3.34Å; L407-F491 VanDerWaalsContact O-CA 3.24Å; L407-F491 WeakPolarHBondContact O-CA 3.17Å; L407-F491 WeakPolarHBondContact O-CD1 3.36Å; L407-G492 PolarHBondContact O-N 2.93Å; L407-G492 VanDerWaalsContact O-N 3.16Å
408	L	89.2	Confident	81.1	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.2	-176.5	171.2	69.2	0	0	0	110.6	V394 F396 F419 V420 L421 Y490 F491	V394-L408 HydrophobicContact CB-CD2 3.95Å; V394-L408 HydrophobicContact CG1-CD2 3.76Å; V394-L408 HydrophobicContact CG2-CD2 4.18Å; F396-L408 HydrophobicContact CE1-CD2 4.4Å; L408-F419 HydrophobicContact CD2-CE2 3.95Å; L408-F419 HydrophobicContact CG-CE2 4.06Å; L408-V420 CarbonylContact O-C 3.58Å; L408-V420 WeakPolarHBondContact O-CA 3.24Å; L408-L421 HydrophobicContact CB-CB 4.11Å; L408-L421 PolarHBondContact N-O 3.22Å; L408-L421 VanDerWaalsContact N-O 3.09Å; L408-L421 PolarHBondContact O-N 2.78Å; L408-Y490 CarbonylContact C-O 3.55Å; L408-Y490 VanDerWaalsContact CA-O 3.31Å; L408-Y490 WeakPolarHBondContact CA-O 3.47Å; L408-F491 HydrophobicContact CB-CD1 4.48Å; L408-F491 HydrophobicContact CB-CE1 4.42Å; L408-F491 HydrophobicContact CD1-CD1 4.37Å; L408-F491 HydrophobicContact CD1-CD2 4.11Å; L408-F491 HydrophobicContact CD1-CE1 4.1Å; L408-F491 HydrophobicContact CD1-CE2 3.8Å; L408-F491 HydrophobicContact CD1-CG 4.39Å; L408-F491 HydrophobicContact CD1-CZ 3.81Å
409	F	86.6	Confident	80.7	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.8	172.2	170.7	-88.7	0	0	0	109.3	E411 F419 V420 Y490 L494 Y495	F409-E411 HydrophobicContact CE1-CG 3.81Å; F409-E411 HydrophobicContact CZ-CG 3.81Å; F409-F419 WeakPolarHBondContact CA-O 3.31Å; F409-V420 HydrophobicContact CD2-CG2 3.77Å; F409-V420 HydrophobicContact CE2-CG2 4.27Å; F409-Y490 AromaticContact CD1-CD2 3.74Å; F409-Y490 HydrophobicContact CD1-CD2 3.74Å; F409-Y490 HydrophobicContact CD1-CE2 4.45Å; F409-Y490 HydrophobicContact CD1-CG 4.4Å; F409-Y490 HydrophobicContact CE1-CD2 4.28Å; F409-Y490 PolarHBondContact N-O 2.85Å; F409-Y490 PolarHBondContact O-N 3.29Å; F409-L494 HydrophobicContact CD1-CD2 3.4Å; F409-L494 VanDerWaalsContact CD1-CD2 3.4Å; F409-L494 HydrophobicContact CE1-CD2 3.54Å; F409-L494 HydrophobicContact CG-CD2 4.23Å; F409-L494 HydrophobicContact CZ-CD2 4.46Å; F409-Y495 HydrophobicContact CD2-CE2 4.33Å; F409-Y495 HydrophobicContact CE2-CE2 4.29Å; F409-Y495 VanDerWaalsContact CE2-OH 3.3Å; F409-Y495 WeakPolarHBondContact CE2-OH 3.21Å; F409-Y495 WeakPolarHBondContact CZ-OH 3.48Å
410	G	82.6	Confident	80.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144	171.9	0	0	0	0	0	111.5	S418 F419	G410-S418 CarbonylContact O-C 3.56Å; G410-S418 WeakPolarHBondContact O-CA 3.4Å; G410-S418 WeakPolarHBondContact O-CB 3.46Å; G410-F419 PolarHBondContact N-O 2.74Å; G410-F419 WeakPolarHBondContact O-CD1 3.31Å; G410-F419 PolarHBondContact O-N 2.9Å
411	E	80.4	Confident	80.4	Confident	115 Å²	115	51.7 Å²	51.7	54%	0.537	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149.2	170.8	-64.9	-174.2	171.6	0	0	110	F409 G486	F409-E411 HydrophobicContact CE1-CG 3.81Å; F409-E411 HydrophobicContact CZ-CG 3.81Å; E411-G486 VanDerWaalsContact O-CA 3.23Å; E411-G486 WeakPolarHBondContact O-CA 3.43Å; E411-G486 PolarHBondContact O-N 3.26Å
412	L	78.9	Confident	80.4	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	153.1	169.5	-61.2	178.8	0	0	0	109.6	V392 S416 G417 F419 L432 I483 D484	V392-L412 HydrophobicContact CG2-CD2 4.16Å; L412-S416 WeakPolarHBondContact CB-OG 3.39Å; L412-G417 PolarHBondContact N-O 2.71Å; L412-F419 HydrophobicContact CD2-CD1 4.07Å; L412-F419 HydrophobicContact CD2-CE1 4.46Å; L412-L432 HydrophobicContact CD1-CD1 4.03Å; L412-I483 HydrophobicContact CD1-CG2 4.48Å; L412-I483 HydrophobicContact CD2-CG2 3.76Å; L412-D484 WeakPolarHBondContact CA-O 3.31Å
413	Q	73.8	Confident	80.7	Confident	46 Å²	46	40.8 Å²	40.8	22%	0.215	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55.5	149.7	-179.8	-71.4	-75.6	-25.5	0	0	112.3	G415 S416 D484 S485 D487	Q413-G415 PolarHBondContact O-N 3.15Å; Q413-S416 WeakPolarHBondContact O-CB 3.33Å; Q413-S416 PolarHBondContact O-N 3.27Å; Q413-S416 PolarHBondContact O-OG 2.99Å; Q413-D484 HydrophobicContact CB-CB 3.64Å; Q413-D484 HydrophobicContact CG-CB 3.86Å; Q413-D484 PolarHBondContact N-O 2.89Å; Q413-S485 WeakPolarHBondContact CG-O 3.19Å; Q413-S485 PolarHBondContact NE2-O 2.9Å; Q413-D487 PolarHBondContact NE2-OD1 3.06Å
414	R	67.1	Low	80.8	Confident	231 Å²	231	36 Å²	36	87%	0.872	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	60.1	23.1	176.2	-54.7	175.8	-178	172.8	2.1	114.6	S416	R414-S416 PolarHBondContact O-N 2.87Å
415	G	61.4	Low	80.9	Confident	68 Å²	68	40.7 Å²	40.7	70%	0.701	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	65.9	21	179.8	0	0	0	0	0	113.6	Q413 G417	Q413-G415 PolarHBondContact O-N 3.15Å; G415-G417 PolarHBondContact O-N 3.5Å
416	S	69.9	Low	81.2	Confident	50 Å²	50	40.2 Å²	40.2	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	-70.2	-15.9	-177.1	57	0	0	0	0	113.6	L412 Q413 R414	L412-S416 WeakPolarHBondContact CB-OG 3.39Å; Q413-S416 WeakPolarHBondContact O-CB 3.33Å; Q413-S416 PolarHBondContact O-N 3.27Å; Q413-S416 PolarHBondContact O-OG 2.99Å; R414-S416 PolarHBondContact O-N 2.87Å
417	G	77.3	Confident	81.6	Confident	16 Å²	16	44.3 Å²	44.3	17%	0.165	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-170.6	-179.5	0	0	0	0	0	113.1	L412 G415 F433	L412-G417 PolarHBondContact N-O 2.71Å; G415-G417 PolarHBondContact O-N 3.5Å; G417-F433 CarbonylContact C-O 3.53Å; G417-F433 WeakPolarHBondContact CA-O 3.13Å
418	S	81	Confident	81.7	Confident	26 Å²	26	43 Å²	43	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	161	173.9	57.1	0	0	0	0	110.2	G410 F433	G410-S418 CarbonylContact O-C 3.56Å; G410-S418 WeakPolarHBondContact O-CA 3.4Å; G410-S418 WeakPolarHBondContact O-CB 3.46Å; S418-F433 PolarHBondContact N-O 3.18Å; S418-F433 PolarHBondContact O-N 3.12Å
419	F	83.6	Confident	81.6	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.9	171	67.2	-89.3	0	0	0	110.5	V392 L408 F409 G410 L412 L430 S431 L432 F458 Y489	V392-F419 HydrophobicContact CG1-CE1 3.89Å; V392-F419 HydrophobicContact CG1-CZ 3.81Å; V392-F419 HydrophobicContact CG2-CE1 4.42Å; L408-F419 HydrophobicContact CD2-CE2 3.95Å; L408-F419 HydrophobicContact CG-CE2 4.06Å; F409-F419 WeakPolarHBondContact CA-O 3.31Å; G410-F419 PolarHBondContact N-O 2.74Å; G410-F419 WeakPolarHBondContact O-CD1 3.31Å; G410-F419 PolarHBondContact O-N 2.9Å; L412-F419 HydrophobicContact CD2-CD1 4.07Å; L412-F419 HydrophobicContact CD2-CE1 4.46Å; F419-L430 HydrophobicContact CB-CD1 4.48Å; F419-L430 HydrophobicContact CD2-CD1 4.35Å; F419-S431 CarbonylContact C-O 3.57Å; F419-S431 VanDerWaalsContact CA-O 3.32Å; F419-S431 WeakPolarHBondContact CA-O 3.17Å; F419-L432 HydrophobicContact CB-CD1 3.97Å; F419-F458 AromaticContact CD2-CE1 3.77Å; F419-F458 HydrophobicContact CD2-CE1 3.77Å; F419-F458 HydrophobicContact CD2-CZ 4.36Å; F419-F458 HydrophobicContact CE2-CD1 4.31Å; F419-F458 AromaticContact CE2-CE1 3.75Å; F419-F458 HydrophobicContact CE2-CE1 3.75Å; F419-F458 HydrophobicContact CG-CE1 4.27Å; F419-F458 HydrophobicContact CG-CZ 4.5Å; F419-F458 HydrophobicContact CZ-CE1 4.22Å; F419-Y489 HydrophobicContact CE1-CD1 4.47Å; F419-Y489 HydrophobicContact CE1-CE1 4.09Å; F419-Y489 AromaticContact CZ-CD1 3.76Å; F419-Y489 HydrophobicContact CZ-CD1 3.76Å; F419-Y489 AromaticContact CZ-CE1 3.63Å; F419-Y489 HydrophobicContact CZ-CE1 3.63Å
420	V	84.3	Confident	81.7	Confident	7 Å²	7	45 Å²	45	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.7	-177.3	-169.3	0	0	0	0	109.2	H406 L408 F409 F422 L430 S431 F433	H406-V420 VanDerWaalsContact CE1-CG1 3.47Å; H406-V420 WeakPolarHBondContact CE1-CG1 3.38Å; H406-V420 WeakPolarHBondContact ND1-CG1 3.23Å; L408-V420 CarbonylContact O-C 3.58Å; L408-V420 WeakPolarHBondContact O-CA 3.24Å; F409-V420 HydrophobicContact CD2-CG2 3.77Å; F409-V420 HydrophobicContact CE2-CG2 4.27Å; V420-F422 HydrophobicContact CG1-CD1 4.21Å; V420-L430 CarbonylContact O-C 3.6Å; V420-L430 WeakPolarHBondContact O-CA 3.47Å; V420-S431 PolarHBondContact N-O 3.49Å; V420-S431 PolarHBondContact O-N 3.01Å; V420-F433 HydrophobicContact CB-CE2 4.25Å; V420-F433 HydrophobicContact CG2-CD2 4.07Å; V420-F433 HydrophobicContact CG2-CE2 3.69Å
421	L	88.2	Confident	81.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.1	169	-178.1	68.9	0	0	0	108.6	F396 L407 L408 L428 L430 V456	F396-L421 HydrophobicContact CE1-CD2 3.79Å; F396-L421 HydrophobicContact CZ-CD2 3.65Å; L407-L421 PolarHBondContact N-O 3.23Å; L408-L421 HydrophobicContact CB-CB 4.11Å; L408-L421 PolarHBondContact N-O 3.22Å; L408-L421 VanDerWaalsContact N-O 3.09Å; L408-L421 PolarHBondContact O-N 2.78Å; L421-L428 HydrophobicContact CD1-CB 4.22Å; L421-L428 HydrophobicContact CD1-CD2 4.36Å; L421-L428 HydrophobicContact CG-CD2 4.42Å; L421-L430 HydrophobicContact CB-CD1 4.18Å; L421-L430 HydrophobicContact CD1-CB 3.96Å; L421-L430 HydrophobicContact CD1-CD1 4.44Å; L421-V456 HydrophobicContact CD2-CG1 4.07Å
422	F	87.1	Confident	81.7	Confident	19 Å²	19	40 Å²	40	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.1	178.8	62.1	-84.8	0	0	0	111.1	G405 V420 K424 K429 S431	G405-F422 CarbonylContact O-C 3.48Å; G405-F422 WeakPolarHBondContact O-CA 3.5Å; V420-F422 HydrophobicContact CG1-CD1 4.21Å; F422-K424 HydrophobicContact CD2-CB 4.07Å; F422-K424 HydrophobicContact CE2-CB 3.97Å; F422-K424 HydrophobicContact CE2-CD 4.25Å; F422-K429 HydrophobicContact CD1-CB 4.46Å; F422-K429 WeakPolarHBondContact CD1-O 3.46Å; F422-K429 HydrophobicContact CD2-CB 4.25Å; F422-K429 HydrophobicContact CE1-CB 4.03Å; F422-K429 HydrophobicContact CE1-CD 4.15Å; F422-K429 HydrophobicContact CE1-CG 3.82Å; F422-K429 HydrophobicContact CE2-CB 3.8Å; F422-K429 HydrophobicContact CE2-CD 3.89Å; F422-K429 HydrophobicContact CE2-CG 4.1Å; F422-K429 HydrophobicContact CZ-CB 3.7Å; F422-K429 HydrophobicContact CZ-CD 3.36Å; F422-K429 HydrophobicContact CZ-CG 3.51Å; F422-K429 PolarHBondContact N-O 2.91Å; F422-K429 PolarHBondContact O-N 3.17Å; F422-S431 WeakPolarHBondContact CE1-OG 3.05Å
423	L	88.6	Confident	81.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.3	170.6	-171.7	69.9	0	0	0	108.7	F398 T400 N402 A404 G405 L407 K427 L428 L448 N449	F398-L423 HydrophobicContact CE2-CD2 4.43Å; F398-L423 HydrophobicContact CZ-CD1 4.44Å; T400-L423 HydrophobicContact CG2-CD2 3.47Å; T400-L423 VanDerWaalsContact CG2-CD2 3.47Å; N402-L423 WeakPolarHBondContact O-CD2 3.39Å; A404-L423 CarbonylContact C-O 3.56Å; A404-L423 WeakPolarHBondContact CA-O 3.19Å; A404-L423 WeakPolarHBondContact CB-O 3.44Å; G405-L423 PolarHBondContact N-O 3.09Å; G405-L423 PolarHBondContact O-N 2.85Å; L407-L423 HydrophobicContact CD1-CB 4.5Å; L423-K427 CarbonylContact C-O 3.52Å; L423-K427 WeakPolarHBondContact CA-O 3.44Å; L423-L428 HydrophobicContact CB-CD2 4.5Å; L423-L428 HydrophobicContact CD1-CD2 4.12Å; L423-L448 HydrophobicContact CD1-CB 4.12Å; L423-N449 HydrophobicContact CD2-CB 4.28Å
424	K	84.6	Confident	81.6	Confident	86 Å²	86	42.6 Å²	42.6	37%	0.374	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	119.9	173.6	-178.6	174.1	-179.6	175.6	0	110.2	R403 F422 G426 K427 P521	R403-K424 CarbonylContact O-C 3.56Å; F422-K424 HydrophobicContact CD2-CB 4.07Å; F422-K424 HydrophobicContact CE2-CB 3.97Å; F422-K424 HydrophobicContact CE2-CD 4.25Å; K424-G426 PolarHBondContact O-N 3.44Å; K424-K427 PolarHBondContact N-O 3.32Å; K424-K427 PolarHBondContact O-N 3.49Å; K424-P521 HydrophobicContact CD-CB 4.07Å; K424-P521 HydrophobicContact CG-CB 4.09Å
425	D	84.2	Confident	81.4	Confident	118 Å²	118	35.8 Å²	35.8	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	40	-178.8	-56.4	-49.8	0	0	0	112.5	R403 K427	R403-D425 WeakPolarHBondContact O-CA 3.25Å; R403-D425 PolarHBondContact O-N 3.01Å; D425-K427 VanDerWaalsContact C-N 3.29Å; D425-K427 PolarHBondContact O-N 3.49Å
426	G	84.8	Confident	81.4	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	10.1	-179	0	0	0	0	0	115.3	R403 K424 A446 G447 L448 N449	R403-G426 PolarHBondContact O-N 2.86Å; K424-G426 PolarHBondContact O-N 3.44Å; G426-A446 CarbonylContact O-C 3.28Å; G426-G447 PolarHBondContact O-N 2.97Å; G426-L448 WeakPolarHBondContact O-CG 3.44Å; G426-L448 PolarHBondContact O-N 2.89Å; G426-N449 WeakPolarHBondContact CA-OD1 3.42Å
427	K	90.7	Very high	81.3	Confident	103 Å²	103	39 Å²	39	45%	0.448	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.2	174.8	-56.1	-172.7	177.3	179.9	0	110.4	L423 K424 D425 T443 G445	L423-K427 CarbonylContact C-O 3.52Å; L423-K427 WeakPolarHBondContact CA-O 3.44Å; K424-K427 PolarHBondContact N-O 3.32Å; K424-K427 PolarHBondContact O-N 3.49Å; D425-K427 VanDerWaalsContact C-N 3.29Å; D425-K427 PolarHBondContact O-N 3.49Å; K427-T443 HydrophobicContact CB-CG2 3.95Å; K427-T443 HydrophobicContact CD-CG2 4.25Å; K427-G445 WeakPolarHBondContact CG-O 3.06Å
428	L	91.6	Very high	80.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.7	173.1	-73.1	173.4	0	0	0	109.8	F398 L407 L421 L423 T443 A444 L448 V456 V469	F398-L428 HydrophobicContact CE1-CD1 4.04Å; F398-L428 HydrophobicContact CE1-CD2 4.35Å; F398-L428 HydrophobicContact CZ-CD1 4.35Å; F398-L428 HydrophobicContact CZ-CD2 4.07Å; F398-L428 HydrophobicContact CZ-CG 4.41Å; L407-L428 HydrophobicContact CD1-CD2 3.34Å; L421-L428 HydrophobicContact CD1-CB 4.22Å; L421-L428 HydrophobicContact CD1-CD2 4.36Å; L421-L428 HydrophobicContact CG-CD2 4.42Å; L423-L428 HydrophobicContact CB-CD2 4.5Å; L423-L428 HydrophobicContact CD1-CD2 4.12Å; L428-T443 CarbonylContact O-C 3.6Å; L428-T443 WeakPolarHBondContact O-CA 3.05Å; L428-T443 WeakPolarHBondContact O-CG2 3.33Å; L428-A444 PolarHBondContact N-O 3.17Å; L428-A444 PolarHBondContact O-N 3.2Å; L428-L448 HydrophobicContact CB-CD1 4.3Å; L428-L448 HydrophobicContact CD1-CD1 3.82Å; L428-L448 HydrophobicContact CG-CD1 3.56Å; L428-V456 HydrophobicContact CD1-CB 4.4Å; L428-V456 HydrophobicContact CD1-CG1 3.9Å; L428-V456 HydrophobicContact CD1-CG2 3.53Å; L428-V469 HydrophobicContact CD1-CG2 3.74Å
429	K	87.8	Confident	80.3	Confident	53 Å²	53	44.6 Å²	44.6	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.2	172.9	-177.7	167.8	166.5	-171.6	0	109.3	F422 V442	F422-K429 HydrophobicContact CD1-CB 4.46Å; F422-K429 WeakPolarHBondContact CD1-O 3.46Å; F422-K429 HydrophobicContact CD2-CB 4.25Å; F422-K429 HydrophobicContact CE1-CB 4.03Å; F422-K429 HydrophobicContact CE1-CD 4.15Å; F422-K429 HydrophobicContact CE1-CG 3.82Å; F422-K429 HydrophobicContact CE2-CB 3.8Å; F422-K429 HydrophobicContact CE2-CD 3.89Å; F422-K429 HydrophobicContact CE2-CG 4.1Å; F422-K429 HydrophobicContact CZ-CB 3.7Å; F422-K429 HydrophobicContact CZ-CD 3.36Å; F422-K429 HydrophobicContact CZ-CG 3.51Å; F422-K429 PolarHBondContact N-O 2.91Å; F422-K429 PolarHBondContact O-N 3.17Å; K429-V442 CarbonylContact C-O 3.53Å; K429-V442 WeakPolarHBondContact CA-O 3.49Å
430	L	86.9	Confident	80.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.8	172	176.5	67.5	0	0	0	108.7	F419 V420 L421 N441 V442 F458 M465 V467	F419-L430 HydrophobicContact CB-CD1 4.48Å; F419-L430 HydrophobicContact CD2-CD1 4.35Å; V420-L430 CarbonylContact O-C 3.6Å; V420-L430 WeakPolarHBondContact O-CA 3.47Å; L421-L430 HydrophobicContact CB-CD1 4.18Å; L421-L430 HydrophobicContact CD1-CB 3.96Å; L421-L430 HydrophobicContact CD1-CD1 4.44Å; L430-N441 CarbonylContact O-C 3.52Å; L430-N441 WeakPolarHBondContact O-CA 3.4Å; L430-V442 HydrophobicContact CB-CB 4.37Å; L430-V442 PolarHBondContact N-O 2.91Å; L430-V442 PolarHBondContact O-N 3.01Å; L430-F458 HydrophobicContact CD1-CD2 4.38Å; L430-F458 HydrophobicContact CD1-CE2 4.35Å; L430-F458 HydrophobicContact CD1-CZ 4.46Å; L430-F458 HydrophobicContact CD2-CD2 3.22Å; L430-F458 HydrophobicContact CD2-CE2 3.3Å; L430-F458 HydrophobicContact CD2-CG 4.06Å; L430-F458 HydrophobicContact CD2-CZ 4.14Å; L430-F458 HydrophobicContact CG-CD2 4.44Å; L430-F458 HydrophobicContact CG-CE2 4.42Å; L430-M465 HydrophobicContact CD2-CE 3.87Å; L430-M465 HydrophobicContact CD2-CG 3.55Å; L430-M465 HydrophobicContact CD2-SD 3.37Å; L430-M465 WeakPolarHBondContact CD2-SD 3.44Å; L430-M465 HydrophobicContact CG-CE 4.09Å; L430-M465 HydrophobicContact CG-SD 3.93Å; L430-V467 HydrophobicContact CB-CG2 3.94Å; L430-V467 HydrophobicContact CD2-CG2 3.54Å; L430-V467 HydrophobicContact CG-CG2 4.42Å
431	S	82.6	Confident	80	Confident	6 Å²	6	49.6 Å²	49.6	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.1	177.3	-70.1	0	0	0	0	110	F419 V420 F422 R440 N441	F419-S431 CarbonylContact C-O 3.57Å; F419-S431 VanDerWaalsContact CA-O 3.32Å; F419-S431 WeakPolarHBondContact CA-O 3.17Å; V420-S431 PolarHBondContact N-O 3.49Å; V420-S431 PolarHBondContact O-N 3.01Å; F422-S431 WeakPolarHBondContact CE1-OG 3.05Å; S431-R440 CarbonylContact C-O 3.43Å; S431-R440 WeakPolarHBondContact CA-O 3.35Å; S431-N441 WeakPolarHBondContact CB-OD1 3.47Å; S431-N441 PolarHBondContact OG-OD1 3.44Å
432	L	80.8	Confident	80	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123	172.9	-177.9	69.1	0	0	0	109.2	L412 F419 Q434 P439 R440 M465 L478 I483	L412-L432 HydrophobicContact CD1-CD1 4.03Å; F419-L432 HydrophobicContact CB-CD1 3.97Å; L432-Q434 HydrophobicContact CG-CG 4.39Å; L432-P439 WeakPolarHBondContact O-CA 3.24Å; L432-R440 HydrophobicContact CB-CB 4.45Å; L432-R440 PolarHBondContact N-O 3.46Å; L432-R440 PolarHBondContact O-N 2.8Å; L432-M465 HydrophobicContact CB-SD 4.18Å; L432-L478 HydrophobicContact CD2-CD1 4.34Å; L432-L478 HydrophobicContact CD2-CD2 4.42Å; L432-I483 HydrophobicContact CD2-CD1 4.3Å
433	F	76.9	Confident	80.1	Confident	80 Å²	80	52.7 Å²	52.7	35%	0.351	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.2	179.3	-61.2	-89.8	0	0	0	109.4	G417 S418 V420 P439	G417-F433 CarbonylContact C-O 3.53Å; G417-F433 WeakPolarHBondContact CA-O 3.13Å; S418-F433 PolarHBondContact N-O 3.18Å; S418-F433 PolarHBondContact O-N 3.12Å; V420-F433 HydrophobicContact CB-CE2 4.25Å; V420-F433 HydrophobicContact CG2-CD2 4.07Å; V420-F433 HydrophobicContact CG2-CE2 3.69Å; F433-P439 HydrophobicContact CD1-CB 3.81Å; F433-P439 HydrophobicContact CD1-CG 3.64Å; F433-P439 HydrophobicContact CE1-CB 3.62Å; F433-P439 HydrophobicContact CE1-CG 3.47Å; F433-P439 VanDerWaalsContact CE1-CG 3.47Å; F433-P439 HydrophobicContact CZ-CB 4.28Å
434	Q	73.6	Confident	80.3	Confident	24 Å²	24	53 Å²	53	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.1	177.7	-69.1	-179.7	-37.2	0	0	109.4	L432 G436 Q437	L432-Q434 HydrophobicContact CG-CG 4.39Å; Q434-G436 PolarHBondContact O-N 2.96Å; Q434-Q437 PolarHBondContact O-N 3.45Å
435	A	63.7	Low	80.5	Confident	88 Å²	88	50.4 Å²	50.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	125.4	-176.4	0	0	0	0	0	111.3	Q437	A435-Q437 VanDerWaalsContact C-N 3.31Å; A435-Q437 PolarHBondContact O-N 2.82Å
436	G	61.5	Low	80.9	Confident	93 Å²	93	48.1 Å²	48.1	96%	0.959	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.2	177.3	0	0	0	0	0	116.2	Q434	Q434-G436 PolarHBondContact O-N 2.96Å
437	Q	67.5	Low	81.1	Confident	92 Å²	92	50 Å²	50	43%	0.43	33%	0.326	S	S	.	.	S	Bend	trans	-118	155	177	-62.4	-170	22.9	0	0	112.2	Q434 A435	Q434-Q437 PolarHBondContact O-N 3.45Å; A435-Q437 VanDerWaalsContact C-N 3.31Å; A435-Q437 PolarHBondContact O-N 2.82Å
438	S	66.2	Low	81.2	Confident	97 Å²	97	45.3 Å²	45.3	68%	0.678	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-68.2	146.7	170.8	56.6	0	0	0	0	110.9	R440	S438-R440 PolarHBondContact O-N 3.09Å
439	P	71.6	Confident	81.1	Confident	63 Å²	63	47 Å²	47	41%	0.409	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.8	130	179.9	-21.6	32.2	0	0	0	111.7	L432 F433	L432-P439 WeakPolarHBondContact O-CA 3.24Å; F433-P439 HydrophobicContact CD1-CB 3.81Å; F433-P439 HydrophobicContact CD1-CG 3.64Å; F433-P439 HydrophobicContact CE1-CB 3.62Å; F433-P439 HydrophobicContact CE1-CG 3.47Å; F433-P439 VanDerWaalsContact CE1-CG 3.47Å; F433-P439 HydrophobicContact CZ-CB 4.28Å
440	R	78.1	Confident	81.1	Confident	48 Å²	48	47.3 Å²	47.3	18%	0.181	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.3	178	-59.9	-177.1	-174.1	-171.5	5.1	109.5	S431 L432 S438 L478 V479	S431-R440 CarbonylContact C-O 3.43Å; S431-R440 WeakPolarHBondContact CA-O 3.35Å; L432-R440 HydrophobicContact CB-CB 4.45Å; L432-R440 PolarHBondContact N-O 3.46Å; L432-R440 PolarHBondContact O-N 2.8Å; S438-R440 PolarHBondContact O-N 3.09Å; R440-L478 HydrophobicContact CB-CD2 4.38Å; R440-V479 VanDerWaalsContact NH1-N 3.11Å; R440-V479 PolarHBondContact NH1-O 2.94Å
441	N	82.9	Confident	81	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.342	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.6	-171	-61.6	-40.3	0	0	0	111.9	L430 S431	L430-N441 CarbonylContact O-C 3.52Å; L430-N441 WeakPolarHBondContact O-CA 3.4Å; S431-N441 WeakPolarHBondContact CB-OD1 3.47Å; S431-N441 PolarHBondContact OG-OD1 3.44Å
442	V	87.8	Confident	81.2	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.7	165.4	171.1	0	0	0	0	107.8	K429 L430 M465 V467 A474 Q476	K429-V442 CarbonylContact C-O 3.53Å; K429-V442 WeakPolarHBondContact CA-O 3.49Å; L430-V442 HydrophobicContact CB-CB 4.37Å; L430-V442 PolarHBondContact N-O 2.91Å; L430-V442 PolarHBondContact O-N 3.01Å; V442-M465 HydrophobicContact CB-CE 3.89Å; V442-M465 HydrophobicContact CG2-CB 4.41Å; V442-M465 HydrophobicContact CG2-CE 3.26Å; V442-M465 HydrophobicContact CG2-CG 4.23Å; V442-V467 HydrophobicContact CB-CG2 4.37Å; V442-V467 HydrophobicContact CG1-CB 4.18Å; V442-V467 HydrophobicContact CG1-CG2 3.84Å; V442-A474 HydrophobicContact CG1-CB 4.06Å; V442-Q476 HydrophobicContact CG2-CB 3.21Å; V442-Q476 HydrophobicContact CG2-CG 4.13Å
443	T	89.9	Confident	81.5	Confident	77 Å²	77	52.6 Å²	52.6	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.9	173.3	-52	0	0	0	0	109.3	K427 L428	K427-T443 HydrophobicContact CB-CG2 3.95Å; K427-T443 HydrophobicContact CD-CG2 4.25Å; L428-T443 CarbonylContact O-C 3.6Å; L428-T443 WeakPolarHBondContact O-CA 3.05Å; L428-T443 WeakPolarHBondContact O-CG2 3.33Å
444	A	91.8	Very high	82.1	Confident	8 Å²	8	49.4 Å²	49.4	7%	0.066	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.5	-176.9	0	0	0	0	0	111.7	L428 V467 V469 A474	L428-A444 PolarHBondContact N-O 3.17Å; L428-A444 PolarHBondContact O-N 3.2Å; A444-V467 HydrophobicContact CB-CB 4Å; A444-V467 HydrophobicContact CB-CG1 3.78Å; A444-V469 HydrophobicContact CB-CG2 3.8Å; A444-A474 HydrophobicContact CB-CB 3.69Å
445	G	89.6	Confident	83	Confident	32 Å²	32	50.6 Å²	50.6	33%	0.33	34%	0.338	S	S	.	.			trans	67.9	175	179.1	0	0	0	0	0	115.1	K427	K427-G445 WeakPolarHBondContact CG-O 3.06Å
446	A	91.7	Very high	84.4	Confident	71 Å²	71	46.4 Å²	46.4	59%	0.587	30%	0.303	S	S	*	.	S	Bend	trans	-155.8	143.1	175.6	0	0	0	0	0	111.2	G426 L448	G426-A446 CarbonylContact O-C 3.28Å; A446-L448 VanDerWaalsContact C-N 3.3Å; A446-L448 PolarHBondContact O-N 3.06Å
447	G	90.3	Very high	85.9	Confident	40 Å²	40	43.6 Å²	43.6	41%	0.412	27%	0.268	S	S	.	.			trans	69.9	23.2	177.7	0	0	0	0	0	114.5	G426 N449	G426-G447 PolarHBondContact O-N 2.97Å; G447-N449 PolarHBondContact O-N 2.97Å
448	L	92.4	Very high	86.9	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	25%	0.248	C	C	.	.			trans	-72.9	10.1	-174.5	-54.1	170.9	0	0	0	114.3	F398 L423 G426 L428 A446 H454 V469	F398-L448 HydrophobicContact CZ-CB 3.93Å; F398-L448 HydrophobicContact CZ-CD1 4.38Å; L423-L448 HydrophobicContact CD1-CB 4.12Å; G426-L448 WeakPolarHBondContact O-CG 3.44Å; G426-L448 PolarHBondContact O-N 2.89Å; L428-L448 HydrophobicContact CB-CD1 4.3Å; L428-L448 HydrophobicContact CD1-CD1 3.82Å; L428-L448 HydrophobicContact CG-CD1 3.56Å; A446-L448 VanDerWaalsContact C-N 3.3Å; A446-L448 PolarHBondContact O-N 3.06Å; L448-H454 HydrophobicContact CD2-CB 4.41Å; L448-V469 HydrophobicContact CD1-CG1 3.97Å; L448-V469 HydrophobicContact CD2-CG1 3.63Å; L448-V469 HydrophobicContact CG-CG1 4.46Å
449	N	89.8	Confident	87.8	Confident	35 Å²	35	35.5 Å²	35.5	19%	0.187	22%	0.222	C	C	.	.			trans	-111.7	33.2	178.9	67.7	-67.1	0	0	0	111.5	T400 N402 L423 G426 G447 G451	T400-N449 HydrophobicContact CG2-CB 4.4Å; T400-N449 CarbonylContact O-C 3.5Å; T400-N449 WeakPolarHBondContact O-CA 3.31Å; N402-N449 VanDerWaalsContact O-CB 3.24Å; N402-N449 WeakPolarHBondContact O-CB 3.32Å; L423-N449 HydrophobicContact CD2-CB 4.28Å; G426-N449 WeakPolarHBondContact CA-OD1 3.42Å; G447-N449 PolarHBondContact O-N 2.97Å; N449-G451 VanDerWaalsContact C-N 3.34Å
450	D	88	Confident	88.4	Confident	60 Å²	60	32.6 Å²	32.6	32%	0.321	20%	0.203	S	C	.	.	S	Bend	trans	-92.7	7.8	-177.9	72.7	-7.6	0	0	0	113.4	W401 Q452 H454	W401-D450 WeakPolarHBondContact CH2-O 3Å; W401-D450 VanDerWaalsContact CZ3-C 3.43Å; W401-D450 VanDerWaalsContact CZ3-O 3.3Å; W401-D450 WeakPolarHBondContact CZ3-O 3.31Å; D450-Q452 PolarHBondContact O-N 3.46Å; D450-Q452 WeakPolarHBondContact OD1-CA 3.49Å; D450-Q452 VanDerWaalsContact OD1-CB 3.25Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.44Å; D450-Q452 PolarHBondContact OD1-N 2.91Å; D450-Q452 WeakPolarHBondContact OD2-CG 3.46Å; D450-H454 IonicContact OD1-CE1 3.24Å; D450-H454 IonicContact OD1-NE2 3.88Å; D450-H454 PolarHBondContact OD1-NE2 3.26Å
451	G	85.1	Confident	88.4	Confident	4 Å²	4	35.1 Å²	35.1	4%	0.041	22%	0.215	C	C	.	.	S	Bend	trans	72.3	3.8	-176.8	0	0	0	0	0	115.4	T400 N449	T400-G451 PolarHBondContact O-N 3.05Å; N449-G451 VanDerWaalsContact C-N 3.34Å
452	Q	85.4	Confident	87.9	Confident	34 Å²	34	39.9 Å²	39.9	16%	0.159	23%	0.229	C	C	.	.	S	Bend	trans	-87.9	159.4	174.6	-57.3	-52.4	-69.9	0	0	111.9	K238 R399 D450 H454	K238-Q452 HydrophobicContact CD-CG 4.41Å; K238-Q452 VanDerWaalsContact CG-OE1 3.29Å; R399-Q452 VanDerWaalsContact CA-O 3.31Å; R399-Q452 WeakPolarHBondContact CA-O 3.4Å; R399-Q452 WeakPolarHBondContact CB-O 3.48Å; D450-Q452 PolarHBondContact O-N 3.46Å; D450-Q452 WeakPolarHBondContact OD1-CA 3.49Å; D450-Q452 VanDerWaalsContact OD1-CB 3.25Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.44Å; D450-Q452 PolarHBondContact OD1-N 2.91Å; D450-Q452 WeakPolarHBondContact OD2-CG 3.46Å; Q452-H454 PolarHBondContact O-CD2 2.89Å; Q452-H454 VanDerWaalsContact O-CD2 3.25Å
453	W	86.8	Confident	87.1	Confident	83 Å²	83	41.5 Å²	41.5	31%	0.314	24%	0.24	S	C	.	.			trans	-72.7	125.8	172.4	-74.6	110	0	0	0	110.3	D268 P371 Q397 R399	D268-W453 PolarHBondContact OD2-NE1 2.81Å; P371-W453 HydrophobicContact CB-CH2 3.79Å; P371-W453 HydrophobicContact CB-CZ2 3.97Å; Q397-W453 HydrophobicContact CB-CE3 3.88Å; Q397-W453 HydrophobicContact CB-CZ3 4.18Å; R399-W453 HydrophobicContact CB-CD2 4.23Å; R399-W453 HydrophobicContact CB-CE3 4.2Å; R399-W453 HydrophobicContact CG-CD2 4.13Å; R399-W453 HydrophobicContact CG-CE3 4.17Å; R399-W453 HydrophobicContact CG-CH2 4.27Å; R399-W453 HydrophobicContact CG-CZ2 4.22Å; R399-W453 HydrophobicContact CG-CZ3 4.25Å
454	H	90.9	Very high	86.5	Confident	14 Å²	14	42.8 Å²	42.8	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.9	173	-62.2	-74	0	0	0	109.9	Q397 F398 L448 D450 Q452 D470	Q397-H454 CarbonylContact C-O 3.55Å; Q397-H454 VanDerWaalsContact CA-O 3.22Å; Q397-H454 WeakPolarHBondContact CA-O 3.49Å; F398-H454 HydrophobicContact CD1-CB 4.27Å; F398-H454 HydrophobicContact CE1-CB 3.89Å; F398-H454 HydrophobicContact CZ-CB 4.48Å; F398-H454 PolarHBondContact N-O 3.31Å; F398-H454 PolarHBondContact O-N 3.04Å; L448-H454 HydrophobicContact CD2-CB 4.41Å; D450-H454 IonicContact OD1-CE1 3.24Å; D450-H454 IonicContact OD1-NE2 3.88Å; D450-H454 PolarHBondContact OD1-NE2 3.26Å; Q452-H454 PolarHBondContact O-CD2 2.89Å; Q452-H454 VanDerWaalsContact O-CD2 3.25Å; H454-D470 VanDerWaalsContact CA-OD1 3.31Å; H454-D470 WeakPolarHBondContact CA-OD1 3.28Å; H454-D470 IonicContact CE1-OD2 2.77Å; H454-D470 IonicContact CG-OD2 3.89Å; H454-D470 IonicContact ND1-OD2 2.65Å; H454-D470 PolarHBondContact ND1-OD2 2.77Å
455	S	92.2	Very high	86.1	Confident	49 Å²	49	42.4 Å²	42.4	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.4	174.3	-171.3	0	0	0	0	109.8	V469 D470	S455-V469 WeakPolarHBondContact O-CA 3.36Å; S455-D470 PolarHBondContact N-OD1 2.85Å; S455-D470 PolarHBondContact O-N 3.16Å
456	V	93.9	Very high	85.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.8	179.6	-175.5	0	0	0	0	109.2	T395 F396 F398 L421 L428 V467 V468	T395-V456 CarbonylContact C-O 3.58Å; T395-V456 VanDerWaalsContact CA-O 3.31Å; T395-V456 WeakPolarHBondContact CA-O 3.32Å; F396-V456 HydrophobicContact CD1-CB 4.44Å; F396-V456 HydrophobicContact CE1-CB 4.07Å; F396-V456 HydrophobicContact CE1-CG1 4.02Å; F396-V456 HydrophobicContact CE2-CB 4.42Å; F396-V456 HydrophobicContact CZ-CB 4.05Å; F396-V456 HydrophobicContact CZ-CG1 4.13Å; F396-V456 HydrophobicContact CZ-CG2 4.44Å; F396-V456 PolarHBondContact N-O 3.06Å; F396-V456 PolarHBondContact O-N 2.82Å; F396-V456 VanDerWaalsContact O-O 3.1Å; F398-V456 HydrophobicContact CD1-CG2 3.56Å; F398-V456 HydrophobicContact CE1-CG2 3.38Å; L421-V456 HydrophobicContact CD2-CG1 4.07Å; L428-V456 HydrophobicContact CD1-CB 4.4Å; L428-V456 HydrophobicContact CD1-CG1 3.9Å; L428-V456 HydrophobicContact CD1-CG2 3.53Å; V456-V467 HydrophobicContact CG1-CG1 4.48Å; V456-V468 WeakPolarHBondContact CA-O 3.48Å
457	S	91.8	Very high	85.8	Confident	33 Å²	33	39.7 Å²	39.7	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.7	170.4	-167.7	0	0	0	0	109.4	T395 V467 V468	T395-S457 PolarHBondContact OG1-OG 3.25Å; S457-V467 CarbonylContact O-C 3.56Å; S457-V467 WeakPolarHBondContact O-CA 3.34Å; S457-V468 PolarHBondContact N-O 2.85Å; S457-V468 PolarHBondContact O-N 2.84Å
458	F	87.9	Confident	85.9	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.7	172.3	151.8	-116.5	0	0	0	108.7	V392 S393 V394 F419 L430 A460 M465 N466 V467	V392-F458 HydrophobicContact CB-CE1 4.21Å; V392-F458 HydrophobicContact CB-CZ 4.35Å; V392-F458 HydrophobicContact CG1-CD1 4.36Å; V392-F458 HydrophobicContact CG1-CE1 3.52Å; V392-F458 HydrophobicContact CG1-CZ 4.14Å; S393-F458 CarbonylContact C-O 3.52Å; S393-F458 WeakPolarHBondContact CA-O 3.43Å; V394-F458 PolarHBondContact N-O 2.93Å; V394-F458 PolarHBondContact O-N 2.84Å; F419-F458 AromaticContact CD2-CE1 3.77Å; F419-F458 HydrophobicContact CD2-CE1 3.77Å; F419-F458 HydrophobicContact CD2-CZ 4.36Å; F419-F458 HydrophobicContact CE2-CD1 4.31Å; F419-F458 AromaticContact CE2-CE1 3.75Å; F419-F458 HydrophobicContact CE2-CE1 3.75Å; F419-F458 HydrophobicContact CG-CE1 4.27Å; F419-F458 HydrophobicContact CG-CZ 4.5Å; F419-F458 HydrophobicContact CZ-CE1 4.22Å; L430-F458 HydrophobicContact CD1-CD2 4.38Å; L430-F458 HydrophobicContact CD1-CE2 4.35Å; L430-F458 HydrophobicContact CD1-CZ 4.46Å; L430-F458 HydrophobicContact CD2-CD2 3.22Å; L430-F458 HydrophobicContact CD2-CE2 3.3Å; L430-F458 HydrophobicContact CD2-CG 4.06Å; L430-F458 HydrophobicContact CD2-CZ 4.14Å; L430-F458 HydrophobicContact CG-CD2 4.44Å; L430-F458 HydrophobicContact CG-CE2 4.42Å; F458-A460 HydrophobicContact CE2-CB 3.64Å; F458-A460 HydrophobicContact CZ-CB 3.6Å; F458-M465 HydrophobicContact CE2-CG 3.94Å; F458-M465 HydrophobicContact CE2-SD 4.32Å; F458-N466 WeakPolarHBondContact CA-O 3.33Å; F458-N466 WeakPolarHBondContact CD2-O 3.33Å; F458-V467 HydrophobicContact CD2-CG2 4.41Å
459	S	86.9	Confident	85.9	Confident	18 Å²	18	39.2 Å²	39.2	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.4	161.7	77	0	0	0	0	113.6	V392 N466	V392-S459 CarbonylContact O-C 3.49Å; V392-S459 WeakPolarHBondContact O-CA 3.14Å; V392-S459 WeakPolarHBondContact O-CB 3.34Å; S459-N466 VanDerWaalsContact CA-OD1 3.3Å; S459-N466 WeakPolarHBondContact CA-OD1 3.3Å; S459-N466 WeakPolarHBondContact CB-OD1 3.49Å; S459-N466 PolarHBondContact N-O 3.35Å; S459-N466 PolarHBondContact N-OD1 3Å; S459-N466 PolarHBondContact O-N 2.86Å; S459-N466 PolarHBondContact O-OD1 2.55Å; S459-N466 VanDerWaalsContact OG-CG 3.25Å; S459-N466 PolarHBondContact OG-ND2 3.29Å; S459-N466 PolarHBondContact OG-OD1 2.86Å
460	A	82.5	Confident	85.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	171.4	0	0	0	0	0	108.3	K391 V392 F458 I483	K391-A460 WeakPolarHBondContact CA-O 3.39Å; V392-A460 PolarHBondContact N-O 2.91Å; V392-A460 PolarHBondContact O-N 2.96Å; F458-A460 HydrophobicContact CE2-CB 3.64Å; F458-A460 HydrophobicContact CZ-CB 3.6Å; A460-I483 HydrophobicContact CB-CD1 3.8Å; A460-I483 HydrophobicContact CB-CG2 4.24Å
461	K	78.9	Confident	85.4	Confident	102 Å²	102	45.2 Å²	45.2	44%	0.443	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.7	175.7	-171.9	174.4	-175.5	174.3	0	109.4	K391 S463 H464	K391-K461 HydrophobicContact CB-CB 4.33Å; K391-K461 HydrophobicContact CB-CD 4.43Å; K391-K461 HydrophobicContact CB-CG 4.25Å; K391-K461 HydrophobicContact CD-CD 4.43Å; K391-K461 HydrophobicContact CG-CB 4.09Å; K391-K461 HydrophobicContact CG-CG 4.47Å; K461-S463 PolarHBondContact O-N 3.49Å; K461-H464 PolarHBondContact N-O 2.86Å; K461-H464 PolarHBondContact O-N 2.95Å
462	W	72.6	Confident	85.3	Confident	164 Å²	164	50.8 Å²	50.8	62%	0.621	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-104.3	174.1	-73.6	51.4	0	0	0	113.1	D390	D390-W462 PolarHBondContact OD2-NE1 2.61Å
463	S	69.9	Low	85.2	Confident	40 Å²	40	53.4 Å²	53.4	28%	0.28	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.6	-175.7	58.2	0	0	0	0	114.1	K461 L478	K461-S463 PolarHBondContact O-N 3.49Å; S463-L478 WeakPolarHBondContact CB-O 3.47Å; S463-L478 PolarHBondContact O-N 3.38Å
464	H	79	Confident	85	Confident	104 Å²	104	50.5 Å²	50.5	48%	0.481	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.9	-178.7	-59.6	87.9	0	0	0	112.2	K461	K461-H464 PolarHBondContact N-O 2.86Å; K461-H464 PolarHBondContact O-N 2.95Å
465	M	82.9	Confident	84.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.2	169.3	-170	159.1	78	0	0	108.5	L430 L432 V442 F458 V475 Q476 L478	L430-M465 HydrophobicContact CD2-CE 3.87Å; L430-M465 HydrophobicContact CD2-CG 3.55Å; L430-M465 HydrophobicContact CD2-SD 3.37Å; L430-M465 WeakPolarHBondContact CD2-SD 3.44Å; L430-M465 HydrophobicContact CG-CE 4.09Å; L430-M465 HydrophobicContact CG-SD 3.93Å; L432-M465 HydrophobicContact CB-SD 4.18Å; V442-M465 HydrophobicContact CB-CE 3.89Å; V442-M465 HydrophobicContact CG2-CB 4.41Å; V442-M465 HydrophobicContact CG2-CE 3.26Å; V442-M465 HydrophobicContact CG2-CG 4.23Å; F458-M465 HydrophobicContact CE2-CG 3.94Å; F458-M465 HydrophobicContact CE2-SD 4.32Å; M465-V475 WeakPolarHBondContact O-CA 3.45Å; M465-Q476 PolarHBondContact N-O 3.09Å; M465-Q476 PolarHBondContact O-N 2.85Å; M465-L478 HydrophobicContact CB-CD1 4.12Å; M465-L478 HydrophobicContact CB-CG 4.3Å
466	N	85.1	Confident	83.6	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.4	175.6	72.4	3.8	0	0	0	111.6	F458 S459 A474 V475	F458-N466 WeakPolarHBondContact CA-O 3.33Å; F458-N466 WeakPolarHBondContact CD2-O 3.33Å; S459-N466 VanDerWaalsContact CA-OD1 3.3Å; S459-N466 WeakPolarHBondContact CA-OD1 3.3Å; S459-N466 WeakPolarHBondContact CB-OD1 3.49Å; S459-N466 PolarHBondContact N-O 3.35Å; S459-N466 PolarHBondContact N-OD1 3Å; S459-N466 PolarHBondContact O-N 2.86Å; S459-N466 PolarHBondContact O-OD1 2.55Å; S459-N466 VanDerWaalsContact OG-CG 3.25Å; S459-N466 PolarHBondContact OG-ND2 3.29Å; S459-N466 PolarHBondContact OG-OD1 2.86Å; N466-A474 WeakPolarHBondContact CA-O 3.19Å; N466-V475 HydrophobicContact CB-CG2 4.09Å
467	V	89.6	Confident	82.5	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119	169.8	-177.8	0	0	0	0	106.5	L430 V442 A444 V456 S457 F458 V469 A474	L430-V467 HydrophobicContact CB-CG2 3.94Å; L430-V467 HydrophobicContact CD2-CG2 3.54Å; L430-V467 HydrophobicContact CG-CG2 4.42Å; V442-V467 HydrophobicContact CB-CG2 4.37Å; V442-V467 HydrophobicContact CG1-CB 4.18Å; V442-V467 HydrophobicContact CG1-CG2 3.84Å; A444-V467 HydrophobicContact CB-CB 4Å; A444-V467 HydrophobicContact CB-CG1 3.78Å; V456-V467 HydrophobicContact CG1-CG1 4.48Å; S457-V467 CarbonylContact O-C 3.56Å; S457-V467 WeakPolarHBondContact O-CA 3.34Å; F458-V467 HydrophobicContact CD2-CG2 4.41Å; V467-V469 HydrophobicContact CG1-CG2 4.09Å; V467-A474 PolarHBondContact N-O 3.4Å; V467-A474 PolarHBondContact O-N 3.29Å
468	V	91.3	Very high	81.1	Confident	31 Å²	31	58.6 Å²	58.6	19%	0.188	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.9	176.1	-173.5	0	0	0	0	108.1	V456 S457 D472 T473	V456-V468 WeakPolarHBondContact CA-O 3.48Å; S457-V468 PolarHBondContact N-O 2.85Å; S457-V468 PolarHBondContact O-N 2.84Å; V468-D472 CarbonylContact C-O 3.59Å; V468-D472 VanDerWaalsContact CA-O 3.28Å; V468-D472 WeakPolarHBondContact CA-O 3.23Å; V468-T473 HydrophobicContact CG2-CG2 3.97Å
469	V	92.4	Very high	79.9	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118	178.2	-173.9	0	0	0	0	108.2	L428 A444 L448 S455 V467 D471 D472	L428-V469 HydrophobicContact CD1-CG2 3.74Å; A444-V469 HydrophobicContact CB-CG2 3.8Å; L448-V469 HydrophobicContact CD1-CG1 3.97Å; L448-V469 HydrophobicContact CD2-CG1 3.63Å; L448-V469 HydrophobicContact CG-CG1 4.46Å; S455-V469 WeakPolarHBondContact O-CA 3.36Å; V467-V469 HydrophobicContact CG1-CG2 4.09Å; V469-D471 PolarHBondContact O-N 3.4Å; V469-D471 VanDerWaalsContact O-N 3.15Å; V469-D472 PolarHBondContact N-O 2.64Å; V469-D472 WeakPolarHBondContact O-CA 3.25Å; V469-D472 WeakPolarHBondContact O-CB 3.45Å; V469-D472 PolarHBondContact O-N 3.39Å
470	D	88.3	Confident	78.5	Confident	70 Å²	70	67.1 Å²	67.1	37%	0.374	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	45.8	179.8	-57.7	-29.7	0	0	0	113.5	H454 S455 D472	H454-D470 VanDerWaalsContact CA-OD1 3.31Å; H454-D470 WeakPolarHBondContact CA-OD1 3.28Å; H454-D470 IonicContact CE1-OD2 2.77Å; H454-D470 IonicContact CG-OD2 3.89Å; H454-D470 IonicContact ND1-OD2 2.65Å; H454-D470 PolarHBondContact ND1-OD2 2.77Å; S455-D470 PolarHBondContact N-OD1 2.85Å; S455-D470 PolarHBondContact O-N 3.16Å; D470-D472 PolarHBondContact O-N 3.24Å
471	D	80.5	Confident	77.5	Confident	151 Å²	151	68.7 Å²	68.7	81%	0.807	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-7.2	-176.1	-52.6	-44.5	0	0	0	116.4	V469	V469-D471 PolarHBondContact O-N 3.4Å; V469-D471 VanDerWaalsContact O-N 3.15Å
472	D	82.9	Confident	76.9	Confident	120 Å²	120	70.2 Å²	70.2	64%	0.642	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	123	170.2	-80	-24.8	0	0	0	111.3	V468 V469 D470	V468-D472 CarbonylContact C-O 3.59Å; V468-D472 VanDerWaalsContact CA-O 3.28Å; V468-D472 WeakPolarHBondContact CA-O 3.23Å; V469-D472 PolarHBondContact N-O 2.64Å; V469-D472 WeakPolarHBondContact O-CA 3.25Å; V469-D472 WeakPolarHBondContact O-CB 3.45Å; V469-D472 PolarHBondContact O-N 3.39Å; D470-D472 PolarHBondContact O-N 3.24Å
473	T	82.1	Confident	76.7	Confident	89 Å²	89	62.6 Å²	62.6	55%	0.546	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.6	-176.1	-53.5	0	0	0	0	111.7	V468 V475	V468-T473 HydrophobicContact CG2-CG2 3.97Å; T473-V475 HydrophobicContact CG2-CG2 3.65Å
474	A	82.3	Confident	76.9	Confident	22 Å²	22	62.3 Å²	62.3	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.9	165.3	0	0	0	0	0	110.2	V442 A444 N466 V467	V442-A474 HydrophobicContact CG1-CB 4.06Å; A444-A474 HydrophobicContact CB-CB 3.69Å; N466-A474 WeakPolarHBondContact CA-O 3.19Å; V467-A474 PolarHBondContact N-O 3.4Å; V467-A474 PolarHBondContact O-N 3.29Å
475	V	78.3	Confident	76.8	Confident	83 Å²	83	57.4 Å²	57.4	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.2	-177.2	-175.6	0	0	0	0	110.3	M465 N466 T473	M465-V475 WeakPolarHBondContact O-CA 3.45Å; N466-V475 HydrophobicContact CB-CG2 4.09Å; T473-V475 HydrophobicContact CG2-CG2 3.65Å
476	Q	77.2	Confident	76.6	Confident	87 Å²	87	57.6 Å²	57.6	41%	0.407	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	169.7	-178.8	71.5	41.9	0	0	110	V442 M465	V442-Q476 HydrophobicContact CG2-CB 3.21Å; V442-Q476 HydrophobicContact CG2-CG 4.13Å; M465-Q476 PolarHBondContact N-O 3.09Å; M465-Q476 PolarHBondContact O-N 2.85Å
477	P	70.6	Confident	76.4	Confident	86 Å²	86	60.1 Å²	60.1	56%	0.558	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	138.4	171.7	26.9	-31.3	0	0	0	110.6
478	L	62.5	Low	76.1	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.058	36%	0.363	C	S	.	.			trans	-107.2	141.3	174.8	-60.6	173.7	0	0	0	108.6	L432 R440 S463 M465 I483	L432-L478 HydrophobicContact CD2-CD1 4.34Å; L432-L478 HydrophobicContact CD2-CD2 4.42Å; R440-L478 HydrophobicContact CB-CD2 4.38Å; S463-L478 WeakPolarHBondContact CB-O 3.47Å; S463-L478 PolarHBondContact O-N 3.38Å; M465-L478 HydrophobicContact CB-CD1 4.12Å; M465-L478 HydrophobicContact CB-CG 4.3Å; L478-I483 HydrophobicContact CD1-CD1 3.78Å
479	V	62.3	Low	75.9	Confident	111 Å²	111	61.8 Å²	61.8	67%	0.673	36%	0.359	S	S	*	.			trans	-56.5	139.6	157.5	-177.2	0	0	0	0	107.4	R440 V481	R440-V479 VanDerWaalsContact NH1-N 3.11Å; R440-V479 PolarHBondContact NH1-O 2.94Å; V479-V481 VanDerWaalsContact O-CG2 3.31Å; V479-V481 WeakPolarHBondContact O-CG2 3.48Å; V479-V481 PolarHBondContact O-N 2.99Å
480	A	56.6	Low	75.7	Confident	87 Å²	87	64.4 Å²	64.4	72%	0.719	37%	0.369	S	S	*	.	S	Bend	trans	-49.4	110.6	-175.5	0	0	0	0	0	111.4
481	V	61.3	Low	75.8	Confident	34 Å²	34	62.5 Å²	62.5	21%	0.206	36%	0.357	C	S	.	.			trans	-136.7	137.6	177.4	179	0	0	0	0	108.3	V479 I483	V479-V481 VanDerWaalsContact O-CG2 3.31Å; V479-V481 WeakPolarHBondContact O-CG2 3.48Å; V479-V481 PolarHBondContact O-N 2.99Å; V481-I483 PolarHBondContact O-N 3.01Å
482	L	66.1	Low	75.8	Confident	135 Å²	135	55.7 Å²	55.7	71%	0.707	32%	0.323	S	S	*	.			trans	-67.6	126.2	171.9	-122.3	91	0	0	0	109
483	I	69.5	Low	75.2	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	29%	0.294	C	S	.	.			trans	-120.6	104.5	175.3	-59.3	179.5	0	0	0	106.6	D390 V392 L412 L432 A460 L478 V481	D390-I483 CarbonylContact C-O 3.55Å; D390-I483 VanDerWaalsContact C-O 3.28Å; V392-I483 HydrophobicContact CG2-CG2 3.88Å; L412-I483 HydrophobicContact CD1-CG2 4.48Å; L412-I483 HydrophobicContact CD2-CG2 3.76Å; L432-I483 HydrophobicContact CD2-CD1 4.3Å; A460-I483 HydrophobicContact CB-CD1 3.8Å; A460-I483 HydrophobicContact CB-CG2 4.24Å; L478-I483 HydrophobicContact CD1-CD1 3.78Å; V481-I483 PolarHBondContact O-N 3.01Å
484	D	74.5	Confident	74.4	Confident	34 Å²	34	48 Å²	48	18%	0.182	28%	0.279	C	S	.	.			trans	-106.3	124.4	178.7	-70.4	-18	0	0	0	109.1	L412 Q413 G486	L412-D484 WeakPolarHBondContact CA-O 3.31Å; Q413-D484 HydrophobicContact CB-CB 3.64Å; Q413-D484 HydrophobicContact CG-CB 3.86Å; Q413-D484 PolarHBondContact N-O 2.89Å; D484-G486 PolarHBondContact O-N 2.88Å
485	S	77.3	Confident	74.1	Confident	1 Å²	1	49 Å²	49	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.9	-177.9	173.4	0	0	0	0	112.6	N386 S387 G388 E389 Q413 Y489	N386-S485 WeakPolarHBondContact O-CB 3.1Å; N386-S485 PolarHBondContact O-OG 3.28Å; S387-S485 WeakPolarHBondContact CA-O 3.43Å; G388-S485 PolarHBondContact N-O 3.44Å; E389-S485 PolarHBondContact O-N 2.98Å; Q413-S485 WeakPolarHBondContact CG-O 3.19Å; Q413-S485 PolarHBondContact NE2-O 2.9Å; S485-Y489 PolarHBondContact OG-OH 3.01Å
486	G	77.9	Confident	74.2	Confident	3 Å²	3	45.8 Å²	45.8	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	178.2	176.5	0	0	0	0	0	114.9	E411 D484	E411-G486 VanDerWaalsContact O-CA 3.23Å; E411-G486 WeakPolarHBondContact O-CA 3.43Å; E411-G486 PolarHBondContact O-N 3.26Å; D484-G486 PolarHBondContact O-N 2.88Å
487	D	80.4	Confident	74.5	Confident	99 Å²	99	44.4 Å²	44.4	53%	0.529	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-17.1	-171.3	-59.7	-16.1	0	0	0	113.8	G385 S387 Q413	G385-D487 PolarHBondContact N-O 3.44Å; S387-D487 WeakPolarHBondContact CB-OD1 3.48Å; Q413-D487 PolarHBondContact NE2-OD1 3.06Å
488	T	83.9	Confident	75.3	Confident	45 Å²	45	41.6 Å²	41.6	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.5	-174.1	-56	0	0	0	0	111.9	A382 L383 Y490	A382-T488 HydrophobicContact CB-CG2 4.04Å; L383-T488 WeakPolarHBondContact O-CA 3.05Å; L383-T488 WeakPolarHBondContact O-CG2 3.37Å; T488-Y490 HydrophobicContact CG2-CD1 4.45Å; T488-Y490 HydrophobicContact CG2-CD2 4.17Å; T488-Y490 HydrophobicContact CG2-CE1 3.97Å; T488-Y490 HydrophobicContact CG2-CE2 3.67Å
489	Y	88	Confident	76.6	Confident	23 Å²	23	41 Å²	41	9%	0.09	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.5	170.9	-59.1	-55	0	0	0	110.3	A382 L383 V392 V394 F419 S485	A382-Y489 CarbonylContact C-O 3.45Å; A382-Y489 WeakPolarHBondContact CA-O 3.3Å; L383-Y489 PolarHBondContact N-O 3.46Å; L383-Y489 PolarHBondContact O-N 2.57Å; V392-Y489 HydrophobicContact CG1-CE1 4.26Å; V394-Y489 HydrophobicContact CG2-CD2 4.47Å; V394-Y489 HydrophobicContact CG2-CE1 4.25Å; V394-Y489 HydrophobicContact CG2-CE2 4.15Å; F419-Y489 HydrophobicContact CE1-CD1 4.47Å; F419-Y489 HydrophobicContact CE1-CE1 4.09Å; F419-Y489 AromaticContact CZ-CD1 3.76Å; F419-Y489 HydrophobicContact CZ-CD1 3.76Å; F419-Y489 AromaticContact CZ-CE1 3.63Å; F419-Y489 HydrophobicContact CZ-CE1 3.63Å; S485-Y489 PolarHBondContact OG-OH 3.01Å
490	Y	87.5	Confident	77.8	Confident	58 Å²	58	41.1 Å²	41.1	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.3	-178.9	-61	-90.9	0	0	0	109.7	Y380 L381 A382 L408 F409 T488 L494	Y380-Y490 HydrophobicContact CD2-CD1 4.01Å; Y380-Y490 HydrophobicContact CE2-CD1 4.23Å; Y380-Y490 HydrophobicContact CE2-CE1 4.42Å; L381-Y490 CarbonylContact O-C 3.53Å; L381-Y490 WeakPolarHBondContact O-CA 3.14Å; A382-Y490 HydrophobicContact CB-CD1 3.78Å; A382-Y490 HydrophobicContact CB-CE1 3.75Å; L408-Y490 CarbonylContact C-O 3.55Å; L408-Y490 VanDerWaalsContact CA-O 3.31Å; L408-Y490 WeakPolarHBondContact CA-O 3.47Å; F409-Y490 AromaticContact CD1-CD2 3.74Å; F409-Y490 HydrophobicContact CD1-CD2 3.74Å; F409-Y490 HydrophobicContact CD1-CE2 4.45Å; F409-Y490 HydrophobicContact CD1-CG 4.4Å; F409-Y490 HydrophobicContact CE1-CD2 4.28Å; F409-Y490 PolarHBondContact N-O 2.85Å; F409-Y490 PolarHBondContact O-N 3.29Å; T488-Y490 HydrophobicContact CG2-CD1 4.45Å; T488-Y490 HydrophobicContact CG2-CD2 4.17Å; T488-Y490 HydrophobicContact CG2-CE1 3.97Å; T488-Y490 HydrophobicContact CG2-CE2 3.67Å; Y490-L494 HydrophobicContact CD1-CD1 3.35Å; Y490-L494 HydrophobicContact CD1-CD2 4.21Å; Y490-L494 HydrophobicContact CD1-CG 4.36Å; Y490-L494 HydrophobicContact CD2-CD1 4.49Å; Y490-L494 HydrophobicContact CD2-CD2 3.84Å; Y490-L494 HydrophobicContact CE1-CD1 3.58Å; Y490-L494 HydrophobicContact CE1-CD2 4.44Å; Y490-L494 HydrophobicContact CE2-CD2 4.08Å; Y490-L494 HydrophobicContact CG-CD1 3.83Å; Y490-L494 HydrophobicContact CG-CD2 3.87Å; Y490-L494 HydrophobicContact CG-CG 4.38Å
491	F	89.5	Confident	79	Confident	29 Å²	29	38.1 Å²	38.1	13%	0.127	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.4	171.9	-71.3	-98.4	0	0	0	110.1	F374 Y380 L381 L383 V394 F396 L407 L408	F374-F491 WeakPolarHBondContact CE1-O 3.3Å; F374-F491 HydrophobicContact CZ-CB 3.86Å; Y380-F491 CarbonylContact C-O 3.6Å; Y380-F491 WeakPolarHBondContact CA-O 3.1Å; Y380-F491 WeakPolarHBondContact CB-O 3.47Å; L381-F491 HydrophobicContact CB-CB 4.29Å; L381-F491 PolarHBondContact N-O 3.4Å; L381-F491 PolarHBondContact O-N 3.22Å; L383-F491 HydrophobicContact CD1-CD2 4.08Å; L383-F491 HydrophobicContact CD1-CE2 3.87Å; V394-F491 HydrophobicContact CG1-CZ 3.9Å; F396-F491 HydrophobicContact CB-CE1 4.11Å; F396-F491 AromaticContact CD1-CE1 3.78Å; F396-F491 HydrophobicContact CD1-CE1 3.78Å; F396-F491 HydrophobicContact CD1-CZ 4.33Å; F396-F491 HydrophobicContact CD2-CE1 4.06Å; F396-F491 HydrophobicContact CE1-CE1 4.16Å; F396-F491 HydrophobicContact CE2-CE1 4.42Å; F396-F491 AromaticContact CG-CE1 3.72Å; F396-F491 HydrophobicContact CG-CE1 3.72Å; F396-F491 HydrophobicContact CG-CZ 4.44Å; F396-F491 HydrophobicContact CZ-CE1 4.47Å; L407-F491 VanDerWaalsContact O-CA 3.24Å; L407-F491 WeakPolarHBondContact O-CA 3.17Å; L407-F491 WeakPolarHBondContact O-CD1 3.36Å; L408-F491 HydrophobicContact CB-CD1 4.48Å; L408-F491 HydrophobicContact CB-CE1 4.42Å; L408-F491 HydrophobicContact CD1-CD1 4.37Å; L408-F491 HydrophobicContact CD1-CD2 4.11Å; L408-F491 HydrophobicContact CD1-CE1 4.1Å; L408-F491 HydrophobicContact CD1-CE2 3.8Å; L408-F491 HydrophobicContact CD1-CG 4.39Å; L408-F491 HydrophobicContact CD1-CZ 3.81Å
492	G	81	Confident	79.9	Confident	9 Å²	9	37.4 Å²	37.4	9%	0.093	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.3	-167.9	-171.7	0	0	0	0	0	113.2	L407	L407-G492 PolarHBondContact O-N 2.93Å; L407-G492 VanDerWaalsContact O-N 3.16Å
493	A	69.8	Low	80.6	Confident	5 Å²	5	34.9 Å²	34.9	4%	0.041	18%	0.177	C	C	.	.			trans	-84.9	123.5	-175.8	0	0	0	0	0	111.5	S377 Y380	S377-A493 WeakPolarHBondContact O-CB 3.48Å; Y380-A493 WeakPolarHBondContact CB-O 3.37Å
494	L	66.8	Low	81.1	Confident	42 Å²	42	42 Å²	42	22%	0.22	21%	0.21	C	C	.	.			trans	-89.2	-30	-177.4	-177.2	58.6	0	0	0	113.4	Y380 F409 Y490	Y380-L494 HydrophobicContact CD2-CD1 4.42Å; F409-L494 HydrophobicContact CD1-CD2 3.4Å; F409-L494 VanDerWaalsContact CD1-CD2 3.4Å; F409-L494 HydrophobicContact CE1-CD2 3.54Å; F409-L494 HydrophobicContact CG-CD2 4.23Å; F409-L494 HydrophobicContact CZ-CD2 4.46Å; Y490-L494 HydrophobicContact CD1-CD1 3.35Å; Y490-L494 HydrophobicContact CD1-CD2 4.21Å; Y490-L494 HydrophobicContact CD1-CG 4.36Å; Y490-L494 HydrophobicContact CD2-CD1 4.49Å; Y490-L494 HydrophobicContact CD2-CD2 3.84Å; Y490-L494 HydrophobicContact CE1-CD1 3.58Å; Y490-L494 HydrophobicContact CE1-CD2 4.44Å; Y490-L494 HydrophobicContact CE2-CD2 4.08Å; Y490-L494 HydrophobicContact CG-CD1 3.83Å; Y490-L494 HydrophobicContact CG-CD2 3.87Å; Y490-L494 HydrophobicContact CG-CG 4.38Å
495	Y	75.2	Confident	80.9	Confident	43 Å²	43	46.1 Å²	46.1	17%	0.169	22%	0.223	C	C	.	.	S	Bend	trans	-99	144.7	-169.2	-59.2	-76.4	0	0	0	111.3	F409 Y513 P524	F409-Y495 HydrophobicContact CD2-CE2 4.33Å; F409-Y495 HydrophobicContact CE2-CE2 4.29Å; F409-Y495 VanDerWaalsContact CE2-OH 3.3Å; F409-Y495 WeakPolarHBondContact CE2-OH 3.21Å; F409-Y495 WeakPolarHBondContact CZ-OH 3.48Å; Y495-Y513 HydrophobicContact CD1-CG 4.37Å; Y495-Y513 HydrophobicContact CE1-CD2 4.37Å; Y495-Y513 AromaticContact CE1-CG 3.95Å; Y495-Y513 HydrophobicContact CE1-CG 3.95Å; Y495-P524 HydrophobicContact CD1-CB 4.31Å; Y495-P524 HydrophobicContact CD2-CB 3.43Å; Y495-P524 VanDerWaalsContact CD2-CB 3.43Å; Y495-P524 HydrophobicContact CD2-CG 3.53Å; Y495-P524 HydrophobicContact CE2-CB 3.82Å; Y495-P524 HydrophobicContact CE2-CG 3.44Å; Y495-P524 VanDerWaalsContact CE2-CG 3.44Å; Y495-P524 HydrophobicContact CG-CB 3.7Å; Y495-P524 HydrophobicContact CG-CG 4.29Å
496	E	80.9	Confident	80.8	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.075	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-72.2	153	173.9	-65	-58.2	135.6	0	0	110.8	S498 A501 H502 R505 I514 D515	E496-S498 VanDerWaalsContact C-N 3.28Å; E496-S498 PolarHBondContact O-N 2.82Å; E496-A501 HydrophobicContact CB-CB 3.95Å; E496-A501 HydrophobicContact CG-CB 4.33Å; E496-H502 VanDerWaalsContact CG-CE1 3.44Å; E496-H502 WeakPolarHBondContact CG-CE1 3.37Å; E496-R505 IonicContact OE1-CZ 3.94Å; E496-R505 IonicContact OE1-NE 3.75Å; E496-R505 PolarHBondContact OE1-NE 2.97Å; E496-R505 IonicContact OE1-NH1 3.93Å; E496-R505 IonicContact OE1-NH2 3.88Å; E496-R505 PolarHBondContact OE1-NH2 2.94Å; E496-R505 IonicContact OE2-NE 2.68Å; E496-I514 CarbonylContact O-C 3.59Å; E496-I514 VanDerWaalsContact O-CA 3.23Å; E496-I514 WeakPolarHBondContact O-CA 3.4Å; E496-I514 WeakPolarHBondContact O-CB 3.32Å; E496-D515 PolarHBondContact O-N 3.01Å
497	Q	82.7	Confident	80.7	Confident	57 Å²	57	51.8 Å²	51.8	27%	0.266	27%	0.268	S	S	.	.	S	Bend	trans	-73	-21.4	-178.1	-65.6	174.4	26.5	0	0	113.6	S377 D515 A516	S377-Q497 PolarHBondContact OG-NE2 2.93Å; Q497-D515 VanDerWaalsContact CA-O 3.25Å; Q497-D515 WeakPolarHBondContact CA-O 3.34Å; Q497-D515 WeakPolarHBondContact CG-O 3.37Å; Q497-A516 WeakPolarHBondContact O-CA 3.2Å
498	S	88	Confident	80.8	Confident	27 Å²	27	51.5 Å²	51.5	19%	0.189	27%	0.272	C	S	.	.	S	Bend	trans	-158	165.3	-176.4	70.9	0	0	0	0	112.8	E496 E500 A501 H502	E496-S498 VanDerWaalsContact C-N 3.28Å; E496-S498 PolarHBondContact O-N 2.82Å; S498-E500 PolarHBondContact O-N 2.91Å; S498-E500 PolarHBondContact OG-N 2.96Å; S498-A501 WeakPolarHBondContact O-CB 3.41Å; S498-A501 PolarHBondContact O-N 2.96Å; S498-A501 PolarHBondContact OG-N 2.84Å; S498-A501 VanDerWaalsContact OG-N 3.16Å; S498-H502 PolarHBondContact O-N 2.78Å
499	C	89.1	Confident	81.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-29.5	170.3	-68.8	0	0	0	0	112.9	H502 K503 C529 T537	C499-H502 PolarHBondContact O-N 2.8Å; C499-K503 PolarHBondContact O-N 3.25Å; C499-C529 WeakPolarHBondContact CA-SG 3.41Å; C499-C529 HydrophobicContact CB-CB 3.49Å; C499-C529 VanDerWaalsContact CB-CB 3.49Å; C499-C529 WeakPolarHBondContact CB-SG 3Å; C499-C529 WeakPolarHBondContact SG-CA 3.21Å; C499-C529 WeakPolarHBondContact SG-CB 3.49Å; C499-C529 CovalentContact SG-SG 2.03Å; C499-C529 PolarHBondContact SG-SG 2.96Å; C499-T537 PolarHBondContact SG-OG1 3.17Å; C499-T537 VanDerWaalsContact SG-OG1 3.41Å
500	E	88.1	Confident	80.9	Confident	112 Å²	112	51.1 Å²	51.1	52%	0.523	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-41.3	174.1	-176.7	175.5	-142.1	0	0	111.7	S498 H502 K503 H504 A535	S498-E500 PolarHBondContact O-N 2.91Å; S498-E500 PolarHBondContact OG-N 2.96Å; E500-H502 VanDerWaalsContact C-N 3.3Å; E500-H502 PolarHBondContact O-N 2.82Å; E500-K503 WeakPolarHBondContact O-CB 3.44Å; E500-K503 PolarHBondContact O-N 3.3Å; E500-K503 VanDerWaalsContact O-N 3.09Å; E500-H504 PolarHBondContact O-CD2 2.76Å; E500-H504 VanDerWaalsContact O-CD2 3.22Å; E500-H504 PolarHBondContact O-N 3.22Å; E500-A535 VanDerWaalsContact CA-CB 3.47Å; E500-A535 HydrophobicContact CB-CB 3.81Å; E500-A535 HydrophobicContact CG-CB 4.37Å
501	A	82.4	Confident	80.7	Confident	24 Å²	24	53.5 Å²	53.5	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-38.4	175.2	0	0	0	0	0	112	E496 S498 H504 R505	E496-A501 HydrophobicContact CB-CB 3.95Å; E496-A501 HydrophobicContact CG-CB 4.33Å; S498-A501 WeakPolarHBondContact O-CB 3.41Å; S498-A501 PolarHBondContact O-N 2.96Å; S498-A501 PolarHBondContact OG-N 2.84Å; S498-A501 VanDerWaalsContact OG-N 3.16Å; A501-H504 PolarHBondContact O-N 2.89Å; A501-R505 PolarHBondContact O-N 3.06Å
502	H	79.6	Confident	80.2	Confident	20 Å²	20	54.2 Å²	54.2	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-40.7	170.6	-78.3	-65.6	0	0	0	112.8	E496 S498 C499 E500 H504 R505 N507 Y512 M531	E496-H502 VanDerWaalsContact CG-CE1 3.44Å; E496-H502 WeakPolarHBondContact CG-CE1 3.37Å; S498-H502 PolarHBondContact O-N 2.78Å; C499-H502 PolarHBondContact O-N 2.8Å; E500-H502 VanDerWaalsContact C-N 3.3Å; E500-H502 PolarHBondContact O-N 2.82Å; H502-H504 VanDerWaalsContact C-N 3.35Å; H502-H504 PolarHBondContact O-N 2.78Å; H502-R505 WeakPolarHBondContact O-CB 3.36Å; H502-R505 PolarHBondContact O-N 2.9Å; H502-R505 VanDerWaalsContact O-N 3.09Å; H502-N507 HydrophobicContact CB-CB 4.31Å; H502-N507 PolarHBondContact ND1-ND2 2.72Å; H502-N507 WeakPolarHBondContact O-CB 3.37Å; H502-N507 PolarHBondContact O-N 2.86Å; H502-Y512 AromaticContact CE1-CD1 3.76Å; H502-Y512 AromaticContact ND1-CD1 3.88Å; H502-Y512 AromaticContact NE2-CD1 3.86Å; H502-M531 HydrophobicContact CB-CE 3.51Å; H502-M531 HydrophobicContact CB-SD 4.23Å
503	K	81.1	Confident	80.4	Confident	82 Å²	82	59.4 Å²	59.4	36%	0.357	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-43.2	176.6	-174.4	-177	176.7	-162.5	0	111.9	C499 E500 R505 G506 M531 D533 A535	C499-K503 PolarHBondContact O-N 3.25Å; E500-K503 WeakPolarHBondContact O-CB 3.44Å; E500-K503 PolarHBondContact O-N 3.3Å; E500-K503 VanDerWaalsContact O-N 3.09Å; K503-R505 PolarHBondContact O-N 3.45Å; K503-R505 VanDerWaalsContact O-N 3.17Å; K503-G506 PolarHBondContact O-N 3.24Å; K503-M531 VanDerWaalsContact CA-SD 3.54Å; K503-M531 HydrophobicContact CB-CB 4.22Å; K503-M531 HydrophobicContact CB-CG 4.07Å; K503-M531 HydrophobicContact CB-SD 3.72Å; K503-M531 HydrophobicContact CD-CB 4.24Å; K503-M531 HydrophobicContact CG-CB 4.08Å; K503-M531 HydrophobicContact CG-CG 4.49Å; K503-M531 HydrophobicContact CG-SD 4.41Å; K503-M531 PolarHBondContact N-SD 2.85Å; K503-D533 WeakPolarHBondContact CE-O 3.46Å; K503-D533 PolarHBondContact NZ-O 3.31Å; K503-A535 HydrophobicContact CB-CB 4.33Å; K503-A535 HydrophobicContact CD-CB 4.04Å
504	H	78.6	Confident	81.1	Confident	154 Å²	154	59.2 Å²	59.2	71%	0.713	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-19.2	176.9	-76.7	-61.7	0	0	0	114.2	E500 A501 H502 G506	E500-H504 PolarHBondContact O-CD2 2.76Å; E500-H504 VanDerWaalsContact O-CD2 3.22Å; E500-H504 PolarHBondContact O-N 3.22Å; A501-H504 PolarHBondContact O-N 2.89Å; H502-H504 VanDerWaalsContact C-N 3.35Å; H502-H504 PolarHBondContact O-N 2.78Å; H504-G506 VanDerWaalsContact C-N 3.31Å
505	R	71.1	Confident	82	Confident	120 Å²	120	57.3 Å²	57.3	45%	0.453	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.9	172.2	-67.5	-175.7	173.4	-143	0.6	113.5	E496 A501 H502 K503	E496-R505 IonicContact OE1-CZ 3.94Å; E496-R505 IonicContact OE1-NE 3.75Å; E496-R505 PolarHBondContact OE1-NE 2.97Å; E496-R505 IonicContact OE1-NH1 3.93Å; E496-R505 IonicContact OE1-NH2 3.88Å; E496-R505 PolarHBondContact OE1-NH2 2.94Å; E496-R505 IonicContact OE2-NE 2.68Å; A501-R505 PolarHBondContact O-N 3.06Å; H502-R505 WeakPolarHBondContact O-CB 3.36Å; H502-R505 PolarHBondContact O-N 2.9Å; H502-R505 VanDerWaalsContact O-N 3.09Å; K503-R505 PolarHBondContact O-N 3.45Å; K503-R505 VanDerWaalsContact O-N 3.17Å
506	G	74.6	Confident	82.5	Confident	68 Å²	68	55.5 Å²	55.5	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	18.6	-176.1	0	0	0	0	0	113.8	K503 H504	K503-G506 PolarHBondContact O-N 3.24Å; H504-G506 VanDerWaalsContact C-N 3.31Å
507	N	75.7	Confident	82.3	Confident	54 Å²	54	56.8 Å²	56.8	29%	0.289	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-73.9	145	177.9	-70.3	5.1	0	0	0	111.3	H502 Y512 M531	H502-N507 HydrophobicContact CB-CB 4.31Å; H502-N507 PolarHBondContact ND1-ND2 2.72Å; H502-N507 WeakPolarHBondContact O-CB 3.37Å; H502-N507 PolarHBondContact O-N 2.86Å; N507-Y512 HydrophobicContact CB-CE1 4.38Å; N507-M531 HydrophobicContact CB-CE 4.41Å; N507-M531 HydrophobicContact CB-SD 4.44Å
508	P	83.8	Confident	81.9	Confident	94 Å²	94	54.1 Å²	54.1	61%	0.61	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-78.1	164.3	175.9	32.5	-35.3	0	0	0	112.4	Y512	P508-Y512 WeakPolarHBondContact O-CE2 3.38Å; P508-Y512 PolarHBondContact O-OH 3.47Å
509	S	89.2	Confident	80.7	Confident	42 Å²	42	54.5 Å²	54.5	29%	0.294	29%	0.293	S	S	.	.	S	Bend	trans	-56	140.1	170.4	-59.7	0	0	0	0	111.7	C529 M531	S509-C529 CarbonylContact C-O 3.53Å; S509-C529 WeakPolarHBondContact CA-O 3.43Å; S509-C529 WeakPolarHBondContact CB-O 3Å; S509-M531 PolarHBondContact OG-N 3.36Å
510	G	84.1	Confident	79.4	Confident	18 Å²	18	55.1 Å²	55.1	19%	0.186	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	-173.7	-173.7	0	0	0	0	0	113.7	Y512 Y528 C529	G510-Y512 WeakPolarHBondContact O-CD2 3.34Å; G510-Y528 CarbonylContact O-C 3.5Å; G510-C529 PolarHBondContact N-O 2.86Å; G510-C529 PolarHBondContact O-N 2.85Å
511	L	83.1	Confident	78.2	Confident	108 Å²	108	52.5 Å²	52.5	57%	0.565	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.9	173.1	-71.9	168.6	0	0	0	110	L526 V527 Y528	L511-L526 HydrophobicContact CB-CD1 4.27Å; L511-L526 HydrophobicContact CD2-CD2 4.47Å; L511-L526 HydrophobicContact CD2-CG 4.45Å; L511-V527 WeakPolarHBondContact CA-O 3.31Å; L511-Y528 HydrophobicContact CD2-CD2 4.08Å; L511-Y528 HydrophobicContact CG-CD2 4.22Å
512	Y	79.9	Confident	77.7	Confident	43 Å²	43	53.7 Å²	53.7	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.9	179.6	-66.2	-88.7	0	0	0	110.5	H502 N507 P508 G510 V527 C529 M531	H502-Y512 AromaticContact CE1-CD1 3.76Å; H502-Y512 AromaticContact ND1-CD1 3.88Å; H502-Y512 AromaticContact NE2-CD1 3.86Å; N507-Y512 HydrophobicContact CB-CE1 4.38Å; P508-Y512 WeakPolarHBondContact O-CE2 3.38Å; P508-Y512 PolarHBondContact O-OH 3.47Å; G510-Y512 WeakPolarHBondContact O-CD2 3.34Å; Y512-V527 PolarHBondContact N-O 2.59Å; Y512-V527 WeakPolarHBondContact O-CG2 3.38Å; Y512-V527 PolarHBondContact O-N 2.74Å; Y512-C529 HydrophobicContact CD2-CB 3.64Å; Y512-C529 VanDerWaalsContact CD2-SG 3.57Å; Y512-C529 HydrophobicContact CE2-CB 4.09Å; Y512-M531 HydrophobicContact CD2-CE 3.84Å; Y512-M531 HydrophobicContact CE2-CE 3.4Å; Y512-M531 VanDerWaalsContact CE2-CE 3.4Å
513	Y	83.8	Confident	77.1	Confident	118 Å²	118	54 Å²	54	46%	0.463	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.9	162.4	-78.4	-86.5	0	0	0	108.6	Y495 P524 F525 L526	Y495-Y513 HydrophobicContact CD1-CG 4.37Å; Y495-Y513 HydrophobicContact CE1-CD2 4.37Å; Y495-Y513 AromaticContact CE1-CG 3.95Å; Y495-Y513 HydrophobicContact CE1-CG 3.95Å; Y513-P524 HydrophobicContact CD1-CB 4.42Å; Y513-F525 WeakPolarHBondContact CA-O 2.92Å; Y513-L526 HydrophobicContact CD1-CB 4.3Å; Y513-L526 HydrophobicContact CD2-CD1 3.83Å; Y513-L526 HydrophobicContact CE1-CB 4.02Å; Y513-L526 HydrophobicContact CE1-CD1 4.42Å; Y513-L526 HydrophobicContact CE2-CD1 3.72Å; Y513-L526 HydrophobicContact CG-CD1 4.22Å
514	I	84.8	Confident	77	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.9	172.5	65.2	165.3	0	0	0	110.2	E496 P524 F525 V527 T537	E496-I514 CarbonylContact O-C 3.59Å; E496-I514 VanDerWaalsContact O-CA 3.23Å; E496-I514 WeakPolarHBondContact O-CA 3.4Å; E496-I514 WeakPolarHBondContact O-CB 3.32Å; I514-P524 CarbonylContact O-C 3.53Å; I514-P524 WeakPolarHBondContact O-CA 3.23Å; I514-F525 HydrophobicContact CD1-CE1 4.25Å; I514-F525 HydrophobicContact CD1-CE2 4.27Å; I514-F525 HydrophobicContact CD1-CZ 3.75Å; I514-F525 HydrophobicContact CG1-CD1 4.46Å; I514-F525 HydrophobicContact CG1-CE1 3.95Å; I514-F525 HydrophobicContact CG1-CE2 4.25Å; I514-F525 HydrophobicContact CG1-CZ 3.84Å; I514-F525 PolarHBondContact N-O 2.9Å; I514-F525 PolarHBondContact O-N 2.97Å; I514-V527 HydrophobicContact CB-CG2 4.3Å; I514-V527 HydrophobicContact CD1-CB 4.48Å; I514-V527 HydrophobicContact CD1-CG1 3.86Å; I514-V527 HydrophobicContact CD1-CG2 3.87Å; I514-V527 HydrophobicContact CG1-CB 4.46Å; I514-V527 HydrophobicContact CG1-CG1 3.85Å; I514-V527 HydrophobicContact CG1-CG2 3.73Å; I514-V527 HydrophobicContact CG2-CG2 3.7Å; I514-T537 HydrophobicContact CD1-CG2 3.55Å
515	D	86.3	Confident	77.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.264	C	S	.	.			trans	-121	84.8	176.6	-177.6	-7.5	0	0	0	109.1	H406 E496 Q497 D517 G518 P524	H406-D515 IonicContact CD2-OD2 3.56Å; H406-D515 IonicContact NE2-OD2 3.67Å; E496-D515 PolarHBondContact O-N 3.01Å; Q497-D515 VanDerWaalsContact CA-O 3.25Å; Q497-D515 WeakPolarHBondContact CA-O 3.34Å; Q497-D515 WeakPolarHBondContact CG-O 3.37Å; D515-D517 VanDerWaalsContact C-N 3.31Å; D515-D517 PolarHBondContact O-N 2.84Å; D515-G518 WeakPolarHBondContact O-CA 3.42Å; D515-G518 PolarHBondContact O-N 2.97Å; D515-G518 PolarHBondContact OD1-N 2.03Å; D515-P524 HydrophobicContact CB-CB 4.33Å
516	A	85.9	Confident	77.8	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.3	-170.4	0	0	0	0	0	113	Q497 F525 A574 A575 L578	Q497-A516 WeakPolarHBondContact O-CA 3.2Å; A516-F525 HydrophobicContact CB-CE1 4.06Å; A516-A574 HydrophobicContact CB-CB 3.66Å; A516-A575 HydrophobicContact CB-CB 4.2Å; A516-L578 HydrophobicContact CB-CD1 3.65Å; A516-L578 WeakPolarHBondContact O-CD1 3.37Å
517	D	77.5	Confident	78.5	Confident	43 Å²	43	39.3 Å²	39.3	23%	0.23	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4	177.2	62.3	-35.3	0	0	0	113.8	D515 S519 G520 P521 L522 A574	D515-D517 VanDerWaalsContact C-N 3.31Å; D515-D517 PolarHBondContact O-N 2.84Å; D517-S519 PolarHBondContact O-N 2.77Å; D517-G520 PolarHBondContact O-N 2.88Å; D517-G520 WeakPolarHBondContact OD2-CA 3.31Å; D517-P521 WeakPolarHBondContact OD2-CD 3.2Å; D517-L522 HydrophobicContact CB-CD1 4.33Å; D517-L522 VanDerWaalsContact OD1-CB 3.31Å; D517-L522 WeakPolarHBondContact OD1-CB 3.39Å; D517-L522 VanDerWaalsContact OD2-CB 3.31Å; D517-L522 WeakPolarHBondContact OD2-CB 2.99Å; D517-L522 VanDerWaalsContact OD2-CG 3.23Å; D517-L522 WeakPolarHBondContact OD2-CG 3.32Å; D517-L522 PolarHBondContact OD2-N 3.41Å; D517-A574 HydrophobicContact CB-CB 4.39Å
518	G	73.4	Confident	79.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	69.8	-80.7	166.8	0	0	0	0	0	114.3	D515	D515-G518 WeakPolarHBondContact O-CA 3.42Å; D515-G518 PolarHBondContact O-N 2.97Å; D515-G518 PolarHBondContact OD1-N 2.03Å
519	S	62	Low	79.5	Confident	35 Å²	35	35.8 Å²	35.8	25%	0.245	20%	0.199	C	C	.	.	S	Bend	trans	-109.8	20.8	169.9	-61.6	0	0	0	0	111.3	S377 A404 G405 D517	S377-S519 WeakPolarHBondContact CA-OG 3.43Å; S377-S519 WeakPolarHBondContact CB-OG 3.22Å; A404-S519 CarbonylContact C-O 3.55Å; A404-S519 VanDerWaalsContact O-O 3.13Å; G405-S519 WeakPolarHBondContact CA-O 3.5Å; G405-S519 PolarHBondContact N-O 2.82Å; D517-S519 PolarHBondContact O-N 2.77Å
520	G	63.2	Low	79.6	Confident	13 Å²	13	36.2 Å²	36.2	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	-77.6	-175	174.7	0	0	0	0	0	112.7	D517 L522	D517-G520 PolarHBondContact O-N 2.88Å; D517-G520 WeakPolarHBondContact OD2-CA 3.31Å; G520-L522 VanDerWaalsContact C-N 3.34Å
521	P	62.2	Low	79.7	Confident	58 Å²	58	36.1 Å²	36.1	38%	0.377	19%	0.193	S	C	.	.	S	Bend	trans	-83.2	-2.8	-175.4	34.9	-38	0	0	0	114.7	A404 K424 D517	A404-P521 HydrophobicContact CB-CB 4.34Å; K424-P521 HydrophobicContact CD-CB 4.07Å; K424-P521 HydrophobicContact CG-CB 4.09Å; D517-P521 WeakPolarHBondContact OD2-CD 3.2Å
522	L	71.6	Confident	79.8	Confident	49 Å²	49	35.7 Å²	35.7	26%	0.257	20%	0.195	S	C	.	.	S	Bend	trans	-90.4	145.6	178.4	-45.1	167.1	0	0	0	109.3	H406 D517 G520 G570 Q571 A574	H406-L522 PolarHBondContact NE2-O 2.99Å; D517-L522 HydrophobicContact CB-CD1 4.33Å; D517-L522 VanDerWaalsContact OD1-CB 3.31Å; D517-L522 WeakPolarHBondContact OD1-CB 3.39Å; D517-L522 VanDerWaalsContact OD2-CB 3.31Å; D517-L522 WeakPolarHBondContact OD2-CB 2.99Å; D517-L522 VanDerWaalsContact OD2-CG 3.23Å; D517-L522 WeakPolarHBondContact OD2-CG 3.32Å; D517-L522 PolarHBondContact OD2-N 3.41Å; G520-L522 VanDerWaalsContact C-N 3.34Å; L522-G570 VanDerWaalsContact CD1-C 3.42Å; L522-G570 VanDerWaalsContact CD1-O 3.29Å; L522-G570 WeakPolarHBondContact CD1-O 3.47Å; L522-Q571 HydrophobicContact CB-CG 4.11Å; L522-Q571 HydrophobicContact CD1-CG 4.48Å; L522-A574 HydrophobicContact CD1-CB 3.8Å
523	G	67.7	Low	79.9	Confident	27 Å²	27	39.9 Å²	39.9	28%	0.278	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-80.8	169.7	172.9	0	0	0	0	0	111.7	Q571	G523-Q571 PolarHBondContact O-NE2 2.84Å
524	P	79.8	Confident	79.9	Confident	28 Å²	28	38.3 Å²	38.3	18%	0.182	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64.8	156.9	172	31.8	-40.1	0	0	0	111.7	Y495 Y513 I514 D515 Q571	Y495-P524 HydrophobicContact CD1-CB 4.31Å; Y495-P524 HydrophobicContact CD2-CB 3.43Å; Y495-P524 VanDerWaalsContact CD2-CB 3.43Å; Y495-P524 HydrophobicContact CD2-CG 3.53Å; Y495-P524 HydrophobicContact CE2-CB 3.82Å; Y495-P524 HydrophobicContact CE2-CG 3.44Å; Y495-P524 VanDerWaalsContact CE2-CG 3.44Å; Y495-P524 HydrophobicContact CG-CB 3.7Å; Y495-P524 HydrophobicContact CG-CG 4.29Å; Y513-P524 HydrophobicContact CD1-CB 4.42Å; I514-P524 CarbonylContact O-C 3.53Å; I514-P524 WeakPolarHBondContact O-CA 3.23Å; D515-P524 HydrophobicContact CB-CB 4.33Å; P524-Q571 PolarHBondContact O-NE2 3.44Å
525	F	81	Confident	80.1	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152	174.5	63.4	-75.1	0	0	0	111.8	Y513 I514 A516 V527 V539 A567 Q571 A575	Y513-F525 WeakPolarHBondContact CA-O 2.92Å; I514-F525 HydrophobicContact CD1-CE1 4.25Å; I514-F525 HydrophobicContact CD1-CE2 4.27Å; I514-F525 HydrophobicContact CD1-CZ 3.75Å; I514-F525 HydrophobicContact CG1-CD1 4.46Å; I514-F525 HydrophobicContact CG1-CE1 3.95Å; I514-F525 HydrophobicContact CG1-CE2 4.25Å; I514-F525 HydrophobicContact CG1-CZ 3.84Å; I514-F525 PolarHBondContact N-O 2.9Å; I514-F525 PolarHBondContact O-N 2.97Å; A516-F525 HydrophobicContact CB-CE1 4.06Å; F525-V527 HydrophobicContact CD2-CG1 3.6Å; F525-V527 HydrophobicContact CE2-CG1 3.29Å; F525-V527 HydrophobicContact CZ-CG1 4.15Å; F525-V539 HydrophobicContact CE2-CG2 4.13Å; F525-A567 HydrophobicContact CB-CB 4.27Å; F525-A567 HydrophobicContact CD2-CB 3.43Å; F525-A567 VanDerWaalsContact CD2-CB 3.43Å; F525-A567 HydrophobicContact CE2-CB 3.93Å; F525-A567 HydrophobicContact CG-CB 3.96Å; F525-Q571 HydrophobicContact CD1-CB 3.62Å; F525-Q571 HydrophobicContact CD1-CG 3.73Å; F525-Q571 HydrophobicContact CE1-CB 3.74Å; F525-Q571 HydrophobicContact CE1-CG 4.22Å; F525-Q571 HydrophobicContact CG-CB 4.11Å; F525-Q571 HydrophobicContact CG-CG 4.33Å; F525-Q571 HydrophobicContact CZ-CB 4.28Å; F525-A575 HydrophobicContact CZ-CB 3.92Å
526	L	83.8	Confident	80.4	Confident	76 Å²	76	44 Å²	44	40%	0.398	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.2	-175.7	-168.3	72.7	0	0	0	110.9	L511 Y513	L511-L526 HydrophobicContact CB-CD1 4.27Å; L511-L526 HydrophobicContact CD2-CD2 4.47Å; L511-L526 HydrophobicContact CD2-CG 4.45Å; Y513-L526 HydrophobicContact CD1-CB 4.3Å; Y513-L526 HydrophobicContact CD2-CD1 3.83Å; Y513-L526 HydrophobicContact CE1-CB 4.02Å; Y513-L526 HydrophobicContact CE1-CD1 4.42Å; Y513-L526 HydrophobicContact CE2-CD1 3.72Å; Y513-L526 HydrophobicContact CG-CD1 4.22Å
527	V	89.9	Confident	80.7	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.3	175.9	-60	0	0	0	0	110.2	L511 Y512 I514 F525 T537 V539	L511-V527 WeakPolarHBondContact CA-O 3.31Å; Y512-V527 PolarHBondContact N-O 2.59Å; Y512-V527 WeakPolarHBondContact O-CG2 3.38Å; Y512-V527 PolarHBondContact O-N 2.74Å; I514-V527 HydrophobicContact CB-CG2 4.3Å; I514-V527 HydrophobicContact CD1-CB 4.48Å; I514-V527 HydrophobicContact CD1-CG1 3.86Å; I514-V527 HydrophobicContact CD1-CG2 3.87Å; I514-V527 HydrophobicContact CG1-CB 4.46Å; I514-V527 HydrophobicContact CG1-CG1 3.85Å; I514-V527 HydrophobicContact CG1-CG2 3.73Å; I514-V527 HydrophobicContact CG2-CG2 3.7Å; F525-V527 HydrophobicContact CD2-CG1 3.6Å; F525-V527 HydrophobicContact CE2-CG1 3.29Å; F525-V527 HydrophobicContact CZ-CG1 4.15Å; V527-T537 HydrophobicContact CB-CG2 4Å; V527-T537 HydrophobicContact CG1-CG2 3.89Å; V527-T537 HydrophobicContact CG2-CG2 4.06Å; V527-V539 HydrophobicContact CG1-CG2 3.97Å
528	Y	89.4	Confident	81.3	Confident	75 Å²	75	47 Å²	47	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119	166	-177.8	-94.4	0	0	0	109.3	G510 L511 N530 V538	G510-Y528 CarbonylContact O-C 3.5Å; L511-Y528 HydrophobicContact CD2-CD2 4.08Å; L511-Y528 HydrophobicContact CG-CD2 4.22Å; Y528-N530 HydrophobicContact CD1-CB 4.45Å; Y528-N530 HydrophobicContact CE1-CB 4.03Å; Y528-V538 HydrophobicContact CD1-CB 4.36Å; Y528-V538 HydrophobicContact CD1-CG2 4.36Å; Y528-V538 PolarHBondContact N-O 2.9Å; Y528-V538 WeakPolarHBondContact O-CA 3.22Å; Y528-V538 VanDerWaalsContact O-CB 3.3Å; Y528-V538 WeakPolarHBondContact O-CB 3.4Å; Y528-V538 PolarHBondContact O-N 3.38Å
529	C	90.9	Very high	82.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.7	175.3	-63.2	0	0	0	0	110.2	C499 S509 G510 Y512 M531 W536	C499-C529 WeakPolarHBondContact CA-SG 3.41Å; C499-C529 HydrophobicContact CB-CB 3.49Å; C499-C529 VanDerWaalsContact CB-CB 3.49Å; C499-C529 WeakPolarHBondContact CB-SG 3Å; C499-C529 WeakPolarHBondContact SG-CA 3.21Å; C499-C529 WeakPolarHBondContact SG-CB 3.49Å; C499-C529 CovalentContact SG-SG 2.03Å; C499-C529 PolarHBondContact SG-SG 2.96Å; S509-C529 CarbonylContact C-O 3.53Å; S509-C529 WeakPolarHBondContact CA-O 3.43Å; S509-C529 WeakPolarHBondContact CB-O 3Å; G510-C529 PolarHBondContact N-O 2.86Å; G510-C529 PolarHBondContact O-N 2.85Å; Y512-C529 HydrophobicContact CD2-CB 3.64Å; Y512-C529 VanDerWaalsContact CD2-SG 3.57Å; Y512-C529 HydrophobicContact CE2-CB 4.09Å; C529-M531 HydrophobicContact CB-CE 3.28Å; C529-M531 HydrophobicContact CB-CG 4.17Å; C529-W536 WeakPolarHBondContact CA-O 3.38Å
530	N	91.8	Very high	83	Confident	51 Å²	51	55.3 Å²	55.3	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.4	168.6	-174.4	3.6	0	0	0	108.9	Y528 T532 A535 W536	Y528-N530 HydrophobicContact CD1-CB 4.45Å; Y528-N530 HydrophobicContact CE1-CB 4.03Å; N530-T532 PolarHBondContact OD1-N 3.43Å; N530-T532 PolarHBondContact OD1-OG1 3.01Å; N530-A535 CarbonylContact O-C 3.59Å; N530-A535 WeakPolarHBondContact O-CA 3.36Å; N530-W536 HydrophobicContact CB-CB 4.2Å; N530-W536 PolarHBondContact N-O 3.25Å; N530-W536 PolarHBondContact O-N 3.41Å
531	M	86.7	Confident	83.9	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.074	31%	0.309	C	S	.	.			trans	-113.9	17.8	-172.3	-54	-177.1	-152.1	0	0	113.1	H502 K503 N507 S509 Y512 C529	H502-M531 HydrophobicContact CB-CE 3.51Å; H502-M531 HydrophobicContact CB-SD 4.23Å; K503-M531 VanDerWaalsContact CA-SD 3.54Å; K503-M531 HydrophobicContact CB-CB 4.22Å; K503-M531 HydrophobicContact CB-CG 4.07Å; K503-M531 HydrophobicContact CB-SD 3.72Å; K503-M531 HydrophobicContact CD-CB 4.24Å; K503-M531 HydrophobicContact CG-CB 4.08Å; K503-M531 HydrophobicContact CG-CG 4.49Å; K503-M531 HydrophobicContact CG-SD 4.41Å; K503-M531 PolarHBondContact N-SD 2.85Å; N507-M531 HydrophobicContact CB-CE 4.41Å; N507-M531 HydrophobicContact CB-SD 4.44Å; S509-M531 PolarHBondContact OG-N 3.36Å; Y512-M531 HydrophobicContact CD2-CE 3.84Å; Y512-M531 HydrophobicContact CE2-CE 3.4Å; Y512-M531 VanDerWaalsContact CE2-CE 3.4Å; C529-M531 HydrophobicContact CB-CE 3.28Å; C529-M531 HydrophobicContact CB-CG 4.17Å
532	T	85.3	Confident	84.2	Confident	100 Å²	100	58 Å²	58	61%	0.613	33%	0.327	S	S	*	.	S	Bend	trans	-64.3	-51.6	-177.4	40.4	0	0	0	0	112.4	N530	N530-T532 PolarHBondContact OD1-N 3.43Å; N530-T532 PolarHBondContact OD1-OG1 3.01Å
533	D	81.5	Confident	84.1	Confident	131 Å²	131	57 Å²	57	70%	0.701	33%	0.328	S	S	*	.	S	Bend	trans	-116.4	-109.9	172.8	-63.5	-36	0	0	0	109.1	K503	K503-D533 WeakPolarHBondContact CE-O 3.46Å; K503-D533 PolarHBondContact NZ-O 3.31Å
534	S	83.4	Confident	84.3	Confident	84 Å²	84	59.7 Å²	59.7	59%	0.587	34%	0.341	S	S	*	.	S	Bend	trans	-66.4	142.4	168.2	-59.2	0	0	0	0	110.9	W536	S534-W536 PolarHBondContact O-N 2.73Å
535	A	88.1	Confident	83.9	Confident	31 Å²	31	66 Å²	66	26%	0.256	37%	0.373	S	S	.	.			trans	-74	112.7	-179.2	0	0	0	0	0	110.8	E500 K503 N530	E500-A535 VanDerWaalsContact CA-CB 3.47Å; E500-A535 HydrophobicContact CB-CB 3.81Å; E500-A535 HydrophobicContact CG-CB 4.37Å; K503-A535 HydrophobicContact CB-CB 4.33Å; K503-A535 HydrophobicContact CD-CB 4.04Å; N530-A535 CarbonylContact O-C 3.59Å; N530-A535 WeakPolarHBondContact O-CA 3.36Å
536	W	92.7	Very high	83.7	Confident	93 Å²	93	69.6 Å²	69.6	35%	0.352	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.6	176	-71.2	88.4	0	0	0	111.4	C529 N530 S534 V538 E583	C529-W536 WeakPolarHBondContact CA-O 3.38Å; N530-W536 HydrophobicContact CB-CB 4.2Å; N530-W536 PolarHBondContact N-O 3.25Å; N530-W536 PolarHBondContact O-N 3.41Å; S534-W536 PolarHBondContact O-N 2.73Å; W536-V538 HydrophobicContact CB-CG2 4.22Å; W536-E583 HydrophobicContact CH2-CG 4.09Å; W536-E583 HydrophobicContact CZ3-CG 3.87Å
537	T	92.9	Very high	83.3	Confident	51 Å²	51	69.3 Å²	69.3	31%	0.313	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	102.8	167.8	-58.4	0	0	0	0	109.2	C499 I514 V527 V539	C499-T537 PolarHBondContact SG-OG1 3.17Å; C499-T537 VanDerWaalsContact SG-OG1 3.41Å; I514-T537 HydrophobicContact CD1-CG2 3.55Å; V527-T537 HydrophobicContact CB-CG2 4Å; V527-T537 HydrophobicContact CG1-CG2 3.89Å; V527-T537 HydrophobicContact CG2-CG2 4.06Å; T537-V539 HydrophobicContact CG2-CG2 4.47Å
538	V	91.2	Very high	82.7	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.358	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.1	-177.7	-175.2	0	0	0	0	110	Y528 W536	Y528-V538 HydrophobicContact CD1-CB 4.36Å; Y528-V538 HydrophobicContact CD1-CG2 4.36Å; Y528-V538 PolarHBondContact N-O 2.9Å; Y528-V538 WeakPolarHBondContact O-CA 3.22Å; Y528-V538 VanDerWaalsContact O-CB 3.3Å; Y528-V538 WeakPolarHBondContact O-CB 3.4Å; Y528-V538 PolarHBondContact O-N 3.38Å; W536-V538 HydrophobicContact CB-CG2 4.22Å
539	V	88.9	Confident	81.8	Confident	36 Å²	36	76 Å²	76	22%	0.218	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-97.2	118	175.4	-164.9	0	0	0	0	109.6	F525 V527 T537 Y565 A567 L572	F525-V539 HydrophobicContact CE2-CG2 4.13Å; V527-V539 HydrophobicContact CG1-CG2 3.97Å; T537-V539 HydrophobicContact CG2-CG2 4.47Å; V539-Y565 HydrophobicContact CG1-CD1 4.13Å; V539-A567 HydrophobicContact CG1-CB 4.02Å; V539-L572 HydrophobicContact CB-CD2 4.17Å; V539-L572 HydrophobicContact CG1-CD2 3.79Å; V539-L572 HydrophobicContact CG2-CD2 4.18Å
540	R	81.4	Confident	80.8	Confident	174 Å²	174	86.3 Å²	86.3	66%	0.657	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-87	146.4	-179.8	-64.8	-174.7	177.2	-175.2	-1.2	111.5
541	H	81.3	Confident	79.3	Confident	55 Å²	55	87.3 Å²	87.3	26%	0.255	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-88.1	153.3	167.7	63.4	65	0	0	0	111	G543 F563 A564 Y565	H541-G543 VanDerWaalsContact C-N 3.35Å; H541-G543 PolarHBondContact CE1-O 3.19Å; H541-G543 PolarHBondContact ND1-N 3.45Å; H541-G543 PolarHBondContact ND1-O 3.32Å; H541-F563 HydrophobicContact CB-CB 4.45Å; H541-F563 AromaticContact CD2-CD1 3.91Å; H541-A564 CarbonylContact C-O 3.5Å; H541-A564 WeakPolarHBondContact CA-O 3.31Å; H541-A564 WeakPolarHBondContact CB-O 3.35Å; H541-Y565 HydrophobicContact CB-CD1 4.13Å; H541-Y565 HydrophobicContact CB-CE1 3.99Å
542	G	69.4	Low	77.8	Confident	73 Å²	73	89.1 Å²	89.1	75%	0.753	53%	0.529	S	S	*	.	S	Bend	trans	-84.8	-2.6	178.4	0	0	0	0	0	114.8	A564	G542-A564 PolarHBondContact N-O 3.35Å
543	G	70	Confident	76.5	Confident	28 Å²	28	89.8 Å²	89.8	29%	0.289	54%	0.535	S	S	.	.	S	Bend	trans	-84.1	168.4	174.5	0	0	0	0	0	113.4	H541	H541-G543 VanDerWaalsContact C-N 3.35Å; H541-G543 PolarHBondContact CE1-O 3.19Å; H541-G543 PolarHBondContact ND1-N 3.45Å; H541-G543 PolarHBondContact ND1-O 3.32Å
544	P	72	Confident	75	Confident	84 Å²	84	89.8 Å²	89.8	55%	0.545	55%	0.545	S	S	.	.			trans	-66.5	149.7	172.7	30.2	-35.5	0	0	0	111.4	A546 V547	P544-A546 PolarHBondContact O-N 3.45Å; P544-A546 VanDerWaalsContact O-N 3.13Å; P544-V547 HydrophobicContact CG-CG2 3.69Å
545	D	71.3	Confident	73.6	Confident	160 Å²	160	89 Å²	89	86%	0.856	55%	0.551	S	S	*	*	S	Bend	trans	-61.8	-21.1	-178.7	-64.2	-31.5	0	0	0	113.5
546	A	75.4	Confident	71.9	Confident	83 Å²	83	95.5 Å²	95.5	69%	0.686	58%	0.576	S	S	*	*			trans	-141.5	138.2	174.1	0	0	0	0	0	110.7	P544	P544-A546 PolarHBondContact O-N 3.45Å; P544-A546 VanDerWaalsContact O-N 3.13Å
547	V	76.1	Confident	70.1	Confident	70 Å²	70	96.3 Å²	96.3	42%	0.424	59%	0.593	S	S	.	*			trans	-123.4	125.5	174.3	-178.1	0	0	0	0	109	P544 V561	P544-V547 HydrophobicContact CG-CG2 3.69Å; V547-V561 HydrophobicContact CB-CG1 4.28Å; V547-V561 HydrophobicContact CB-CG2 4.03Å; V547-V561 HydrophobicContact CG1-CG1 4.46Å; V547-V561 HydrophobicContact CG1-CG2 3.62Å; V547-V561 HydrophobicContact CG2-CG1 3.93Å
548	T	76.6	Confident	68.6	Low	128 Å²	128	99.5 Å²	99.5	79%	0.785	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-88.8	116.2	173.9	-53.3	0	0	0	0	110
549	L	71.9	Confident	67.5	Low	90 Å²	90	99.5 Å²	99.5	47%	0.471	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-86.6	127.1	173.4	-67.1	175.5	0	0	0	110.3	V561	L549-V561 HydrophobicContact CD1-CG2 4.33Å; L549-V561 HydrophobicContact CD2-CG2 3.47Å; L549-V561 VanDerWaalsContact CD2-CG2 3.47Å; L549-V561 HydrophobicContact CG-CG2 4.1Å
550	R	69	Low	66.6	Low	217 Å²	217	102.1 Å²	102.1	82%	0.819	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-102.6	133.1	171.9	-64.8	-174.8	-178.3	-172	0.7	109.2	S559	R550-S559 PolarHBondContact O-OG 3.43Å
551	G	59.7	Low	66.3	Low	71 Å²	71	96.5 Å²	96.5	73%	0.732	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61.1	139.5	-179.7	0	0	0	0	0	112.5
552	A	55.8	Low	66	Low	54 Å²	54	99.1 Å²	99.1	45%	0.446	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-80.7	146	175.1	0	0	0	0	0	111.1
553	P	57.1	Low	66.2	Low	113 Å²	113	99 Å²	99	73%	0.734	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-58.1	148	166.6	-17.9	29.8	0	0	0	110.8	G555	P553-G555 PolarHBondContact O-N 3.32Å; P553-G555 VanDerWaalsContact O-N 3.13Å
554	S	51.3	Low	66.4	Low	131 Å²	131	100.7 Å²	100.7	92%	0.916	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.8	116.4	179.8	45.8	0	0	0	0	112.4
555	G	54.6	Low	66.7	Low	69 Å²	69	100 Å²	100	71%	0.711	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.7	-14.1	169	0	0	0	0	0	117.5	P553	P553-G555 PolarHBondContact O-N 3.32Å; P553-G555 VanDerWaalsContact O-N 3.13Å
556	H	52.3	Low	66.8	Low	166 Å²	166	96.8 Å²	96.8	77%	0.769	62%	0.618	S	S	*	*	S	Bend	trans	-141.2	161.9	-176.5	-76.8	-32.3	0	0	0	113.2
557	P	54.3	Low	67.2	Low	111 Å²	111	93.2 Å²	93.2	72%	0.721	59%	0.588	S	S	*	*				-81.3	160.4	-127.2	32.9	-36.3	0	0	0	115.1	S559	P557-S559 PolarHBondContact O-N 2.95Å
558	L	60.9	Low	67.4	Low	117 Å²	117	91.6 Å²	91.6	61%	0.613	59%	0.586	S	S	*	*			trans	-30.4	121.8	170.3	-67.7	151	0	0	0	114.3	A560 W606	L558-A560 PolarHBondContact O-N 2.89Å; L558-A560 VanDerWaalsContact O-N 3.17Å; L558-W606 HydrophobicContact CD1-CH2 3.5Å; L558-W606 HydrophobicContact CD1-CZ2 3.54Å; L558-W606 HydrophobicContact CD2-CH2 3.07Å; L558-W606 HydrophobicContact CD2-CZ2 3.71Å; L558-W606 HydrophobicContact CD2-CZ3 3.68Å; L558-W606 HydrophobicContact CG-CH2 3.85Å; L558-W606 HydrophobicContact CG-CZ2 4.17Å
559	S	67.4	Low	67.7	Low	59 Å²	59	89 Å²	89	41%	0.413	58%	0.577	S	S	.	*			trans	-71.5	107.7	166.7	-46.1	0	0	0	0	108.9	R550 P557	R550-S559 PolarHBondContact O-OG 3.43Å; P557-S559 PolarHBondContact O-N 2.95Å
560	A	71.6	Confident	68.1	Low	92 Å²	92	86 Å²	86	76%	0.76	57%	0.568	S	S	*	*			trans	-112.1	143.9	179.4	0	0	0	0	0	111	L558	L558-A560 PolarHBondContact O-N 2.89Å; L558-A560 VanDerWaalsContact O-N 3.17Å
561	V	73.4	Confident	69	Low	56 Å²	56	77.1 Å²	77.1	34%	0.339	54%	0.536	S	S	.	.			trans	-116.6	130.2	172.1	179.7	0	0	0	0	107.9	V547 L549 F563	V547-V561 HydrophobicContact CB-CG1 4.28Å; V547-V561 HydrophobicContact CB-CG2 4.03Å; V547-V561 HydrophobicContact CG1-CG1 4.46Å; V547-V561 HydrophobicContact CG1-CG2 3.62Å; V547-V561 HydrophobicContact CG2-CG1 3.93Å; L549-V561 HydrophobicContact CD1-CG2 4.33Å; L549-V561 HydrophobicContact CD2-CG2 3.47Å; L549-V561 VanDerWaalsContact CD2-CG2 3.47Å; L549-V561 HydrophobicContact CG-CG2 4.1Å; V561-F563 HydrophobicContact CG1-CE1 4.46Å; V561-F563 HydrophobicContact CG1-CE2 4.28Å; V561-F563 HydrophobicContact CG1-CZ 4.15Å
562	S	75	Confident	70.3	Confident	110 Å²	110	75.8 Å²	75.8	77%	0.769	51%	0.512	S	S	*	.			trans	-111.6	127.9	172.9	-177.1	0	0	0	0	109.4	A564	S562-A564 PolarHBondContact O-N 2.81Å
563	F	74.8	Confident	71.8	Confident	70 Å²	70	80.7 Å²	80.7	31%	0.307	52%	0.519	S	S	.	.			trans	-89.8	101.4	173.9	-63.3	-82.6	0	0	0	108.9	H541 V561 Y565 L586	H541-F563 HydrophobicContact CB-CB 4.45Å; H541-F563 AromaticContact CD2-CD1 3.91Å; V561-F563 HydrophobicContact CG1-CE1 4.46Å; V561-F563 HydrophobicContact CG1-CE2 4.28Å; V561-F563 HydrophobicContact CG1-CZ 4.15Å; F563-Y565 HydrophobicContact CB-CE2 4.22Å; F563-Y565 WeakPolarHBondContact O-CD2 3.3Å; F563-L586 HydrophobicContact CE2-CD1 3.7Å; F563-L586 HydrophobicContact CZ-CD1 3.8Å
564	A	74	Confident	73.2	Confident	64 Å²	64	76 Å²	76	53%	0.529	49%	0.49	S	S	.	.			trans	-78.2	125.6	173.3	0	0	0	0	0	109.7	H541 G542 S562	H541-A564 CarbonylContact C-O 3.5Å; H541-A564 WeakPolarHBondContact CA-O 3.31Å; H541-A564 WeakPolarHBondContact CB-O 3.35Å; G542-A564 PolarHBondContact N-O 3.35Å; S562-A564 PolarHBondContact O-N 2.81Å
565	Y	78.9	Confident	75.1	Confident	70 Å²	70	70.7 Å²	70.7	28%	0.275	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-93.6	148.4	171.1	-68.1	-91.7	0	0	0	110	V539 H541 F563 A567 L572 Q584	V539-Y565 HydrophobicContact CG1-CD1 4.13Å; H541-Y565 HydrophobicContact CB-CD1 4.13Å; H541-Y565 HydrophobicContact CB-CE1 3.99Å; F563-Y565 HydrophobicContact CB-CE2 4.22Å; F563-Y565 WeakPolarHBondContact O-CD2 3.3Å; Y565-A567 PolarHBondContact O-N 2.94Å; Y565-L572 HydrophobicContact CD2-CD1 4.02Å; Y565-L572 HydrophobicContact CG-CD1 3.96Å; Y565-Q584 PolarHBondContact OH-NE2 3.13Å
566	A	73.6	Confident	76.7	Confident	92 Å²	92	70.1 Å²	70.1	76%	0.76	44%	0.436	S	S	*	.	S	Bend	trans	-64.9	-27.8	170.1	0	0	0	0	0	111.7
567	A	82.2	Confident	78.4	Confident	7 Å²	7	67.8 Å²	67.8	6%	0.058	43%	0.43	C	S	.	.	S	Bend	trans	-85.1	140.2	173.4	0	0	0	0	0	111.5	F525 V539 Y565 Q571 L572	F525-A567 HydrophobicContact CB-CB 4.27Å; F525-A567 HydrophobicContact CD2-CB 3.43Å; F525-A567 VanDerWaalsContact CD2-CB 3.43Å; F525-A567 HydrophobicContact CE2-CB 3.93Å; F525-A567 HydrophobicContact CG-CB 3.96Å; V539-A567 HydrophobicContact CG1-CB 4.02Å; Y565-A567 PolarHBondContact O-N 2.94Å; A567-Q571 HydrophobicContact CB-CB 4.26Å; A567-L572 HydrophobicContact CB-CD2 3.97Å; A567-L572 HydrophobicContact CB-CG 4.05Å
568	G	81.6	Confident	80	Confident	36 Å²	36	66.9 Å²	66.9	37%	0.371	42%	0.418	S	S	.	.			trans	-70.8	160.1	174.5	0	0	0	0	0	113	G570 Q571 L572	G568-G570 PolarHBondContact O-N 3.49Å; G568-G570 VanDerWaalsContact O-N 3.16Å; G568-Q571 WeakPolarHBondContact O-CB 3.48Å; G568-Q571 PolarHBondContact O-N 2.9Å; G568-L572 PolarHBondContact O-N 3.29Å
569	A	81.6	Confident	81.3	Confident	74 Å²	74	63.5 Å²	63.5	61%	0.612	41%	0.407	S	S	*	.	H	α-helix	trans	-57.2	-33.8	-178.4	0	0	0	0	0	113.9	R573	A569-R573 WeakPolarHBondContact O-CB 3.49Å; A569-R573 PolarHBondContact O-N 3.38Å
570	G	81	Confident	82.3	Confident	27 Å²	27	70.5 Å²	70.5	28%	0.278	43%	0.433	S	S	.	.	H	α-helix	trans	-66.8	-43.5	174.3	0	0	0	0	0	112.8	L522 G568 R573 A574	L522-G570 VanDerWaalsContact CD1-C 3.42Å; L522-G570 VanDerWaalsContact CD1-O 3.29Å; L522-G570 WeakPolarHBondContact CD1-O 3.47Å; G568-G570 PolarHBondContact O-N 3.49Å; G568-G570 VanDerWaalsContact O-N 3.16Å; G570-R573 PolarHBondContact O-N 3.28Å; G570-A574 WeakPolarHBondContact O-CB 3.29Å; G570-A574 PolarHBondContact O-N 3.25Å
571	Q	87.3	Confident	83.1	Confident	31 Å²	31	74.6 Å²	74.6	15%	0.145	43%	0.429	C	S	.	.	H	α-helix	trans	-64.7	-45.2	178	-72.5	168.6	-36.5	0	0	111.3	L522 G523 P524 F525 A567 G568 R573 A574 A575	L522-Q571 HydrophobicContact CB-CG 4.11Å; L522-Q571 HydrophobicContact CD1-CG 4.48Å; G523-Q571 PolarHBondContact O-NE2 2.84Å; P524-Q571 PolarHBondContact O-NE2 3.44Å; F525-Q571 HydrophobicContact CD1-CB 3.62Å; F525-Q571 HydrophobicContact CD1-CG 3.73Å; F525-Q571 HydrophobicContact CE1-CB 3.74Å; F525-Q571 HydrophobicContact CE1-CG 4.22Å; F525-Q571 HydrophobicContact CG-CB 4.11Å; F525-Q571 HydrophobicContact CG-CG 4.33Å; F525-Q571 HydrophobicContact CZ-CB 4.28Å; A567-Q571 HydrophobicContact CB-CB 4.26Å; G568-Q571 WeakPolarHBondContact O-CB 3.48Å; G568-Q571 PolarHBondContact O-N 2.9Å; Q571-R573 VanDerWaalsContact C-N 3.33Å; Q571-R573 PolarHBondContact O-N 2.97Å; Q571-A574 PolarHBondContact O-N 3.38Å; Q571-A575 WeakPolarHBondContact O-CB 3.43Å; Q571-A575 PolarHBondContact O-N 3.24Å
572	L	87.9	Confident	83.8	Confident	42 Å²	42	75.9 Å²	75.9	22%	0.22	44%	0.439	C	S	.	.	H	α-helix	trans	-58.1	-45.8	173.5	-69.5	173.7	0	0	0	111.1	V539 Y565 A567 G568 A574 A575 V576	V539-L572 HydrophobicContact CB-CD2 4.17Å; V539-L572 HydrophobicContact CG1-CD2 3.79Å; V539-L572 HydrophobicContact CG2-CD2 4.18Å; Y565-L572 HydrophobicContact CD2-CD1 4.02Å; Y565-L572 HydrophobicContact CG-CD1 3.96Å; A567-L572 HydrophobicContact CB-CD2 3.97Å; A567-L572 HydrophobicContact CB-CG 4.05Å; G568-L572 PolarHBondContact O-N 3.29Å; L572-A574 PolarHBondContact O-N 3.21Å; L572-A575 PolarHBondContact O-N 3.03Å; L572-V576 WeakPolarHBondContact O-CB 3.2Å; L572-V576 WeakPolarHBondContact O-CG2 3.44Å; L572-V576 PolarHBondContact O-N 3.16Å
573	R	86.8	Confident	84.4	Confident	157 Å²	157	76.2 Å²	76.2	59%	0.592	43%	0.429	S	S	*	.	H	α-helix	trans	-62.6	-43.3	177.9	-172.3	-179.3	-62.8	148.8	-0.1	112.1	A569 G570 Q571 V576 N577	A569-R573 WeakPolarHBondContact O-CB 3.49Å; A569-R573 PolarHBondContact O-N 3.38Å; G570-R573 PolarHBondContact O-N 3.28Å; Q571-R573 VanDerWaalsContact C-N 3.33Å; Q571-R573 PolarHBondContact O-N 2.97Å; R573-V576 PolarHBondContact O-N 3.19Å; R573-N577 WeakPolarHBondContact O-CB 3.35Å; R573-N577 PolarHBondContact O-N 3.18Å; R573-N577 PolarHBondContact O-ND2 3.02Å; R573-N577 PolarHBondContact O-OD1 3.41Å
574	A	86.6	Confident	84.7	Confident	16 Å²	16	80 Å²	80	13%	0.132	45%	0.448	C	S	.	.	H	α-helix	trans	-61.2	-45.9	177	0	0	0	0	0	111.2	A516 D517 L522 G570 Q571 L572 N577 L578	A516-A574 HydrophobicContact CB-CB 3.66Å; D517-A574 HydrophobicContact CB-CB 4.39Å; L522-A574 HydrophobicContact CD1-CB 3.8Å; G570-A574 WeakPolarHBondContact O-CB 3.29Å; G570-A574 PolarHBondContact O-N 3.25Å; Q571-A574 PolarHBondContact O-N 3.38Å; L572-A574 PolarHBondContact O-N 3.21Å; A574-N577 PolarHBondContact O-N 2.95Å; A574-L578 WeakPolarHBondContact O-CD1 3.46Å; A574-L578 WeakPolarHBondContact O-CG 3.44Å; A574-L578 PolarHBondContact O-N 3.46Å
575	A	90.4	Very high	84.9	Confident	18 Å²	18	88.3 Å²	88.3	15%	0.149	47%	0.465	C	S	.	.	H	α-helix	trans	-64.9	-41.5	177.9	0	0	0	0	0	113.3	A516 F525 Q571 L572 N577 L578 A579	A516-A575 HydrophobicContact CB-CB 4.2Å; F525-A575 HydrophobicContact CZ-CB 3.92Å; Q571-A575 WeakPolarHBondContact O-CB 3.43Å; Q571-A575 PolarHBondContact O-N 3.24Å; L572-A575 PolarHBondContact O-N 3.03Å; A575-N577 VanDerWaalsContact C-N 3.34Å; A575-L578 PolarHBondContact O-N 3.4Å; A575-A579 PolarHBondContact O-N 2.77Å
576	V	89.4	Confident	84.6	Confident	58 Å²	58	88.9 Å²	88.9	35%	0.352	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-39.6	175.9	171.7	0	0	0	0	111.2	L572 R573 L578 A579 C582	L572-V576 WeakPolarHBondContact O-CB 3.2Å; L572-V576 WeakPolarHBondContact O-CG2 3.44Å; L572-V576 PolarHBondContact O-N 3.16Å; R573-V576 PolarHBondContact O-N 3.19Å; V576-L578 VanDerWaalsContact C-N 3.26Å; V576-L578 PolarHBondContact O-N 2.81Å; V576-A579 PolarHBondContact O-N 2.73Å; V576-C582 HydrophobicContact CG1-CB 4.32Å
577	N	88.1	Confident	84.7	Confident	117 Å²	117	88 Å²	88	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-67.9	-24.6	178.8	-73.1	-10.1	0	0	0	113.4	R573 A574 A575	R573-N577 WeakPolarHBondContact O-CB 3.35Å; R573-N577 PolarHBondContact O-N 3.18Å; R573-N577 PolarHBondContact O-ND2 3.02Å; R573-N577 PolarHBondContact O-OD1 3.41Å; A574-N577 PolarHBondContact O-N 2.95Å; A575-N577 VanDerWaalsContact C-N 3.34Å
578	L	86.5	Confident	84.2	Confident	91 Å²	91	91.7 Å²	91.7	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-85.6	-21.5	175.5	-69	156.2	0	0	0	112.8	A516 A574 A575 V576	A516-L578 HydrophobicContact CB-CD1 3.65Å; A516-L578 WeakPolarHBondContact O-CD1 3.37Å; A574-L578 WeakPolarHBondContact O-CD1 3.46Å; A574-L578 WeakPolarHBondContact O-CG 3.44Å; A574-L578 PolarHBondContact O-N 3.46Å; A575-L578 PolarHBondContact O-N 3.4Å; V576-L578 VanDerWaalsContact C-N 3.26Å; V576-L578 PolarHBondContact O-N 2.81Å
579	A	89	Confident	83.9	Confident	46 Å²	46	100.5 Å²	100.5	38%	0.38	51%	0.506	S	S	.	.			trans	-77.2	128.5	-176.1	0	0	0	0	0	110.5	A575 V576 R581	A575-A579 PolarHBondContact O-N 2.77Å; V576-A579 PolarHBondContact O-N 2.73Å; A579-R581 PolarHBondContact O-N 3.24Å
580	E	87.9	Confident	83.4	Confident	206 Å²	206	98.9 Å²	98.9	96%	0.963	49%	0.489	S	S	*	.	S	Bend	trans	-60.4	-37.6	169.7	-175	-177.1	178.4	0	0	111.1
581	R	89.1	Confident	82.6	Confident	179 Å²	179	99.4 Å²	99.4	68%	0.675	50%	0.495	S	S	*	.	S	Bend	trans	-139	134.1	177.7	-179.4	175.5	168.3	163.6	-4.4	110.3	A579 E583	A579-R581 PolarHBondContact O-N 3.24Å; R581-E583 IonicContact CZ-OE2 2.87Å; R581-E583 IonicContact NE-OE2 3.92Å; R581-E583 IonicContact NH2-OE2 3.91Å; R581-E583 PolarHBondContact NH2-OE2 3.13Å
582	C	88.1	Confident	81.1	Confident	82 Å²	82	102.9 Å²	102.9	55%	0.554	52%	0.518	S	S	*	.			trans	-128.2	132.4	176.3	-178.4	0	0	0	0	110	V576	V576-C582 HydrophobicContact CG1-CB 4.32Å
583	E	86.8	Confident	79.2	Confident	118 Å²	118	104.3 Å²	104.3	55%	0.551	54%	0.536	S	S	*	.			trans	-132.8	144.5	176.8	62.9	-172.7	-149.2	0	0	111.6	W536 R581	W536-E583 HydrophobicContact CH2-CG 4.09Å; W536-E583 HydrophobicContact CZ3-CG 3.87Å; R581-E583 IonicContact CZ-OE2 2.87Å; R581-E583 IonicContact NE-OE2 3.92Å; R581-E583 IonicContact NH2-OE2 3.91Å; R581-E583 PolarHBondContact NH2-OE2 3.13Å
584	Q	81.4	Confident	77.4	Confident	150 Å²	150	109.2 Å²	109.2	70%	0.701	56%	0.555	S	S	*	*			trans	-138.2	129	174.9	-173.6	-175.4	19.3	0	0	107.9	Y565	Y565-Q584 PolarHBondContact OH-NE2 3.13Å
585	R	77.9	Confident	75.8	Confident	237 Å²	237	116 Å²	116	89%	0.894	58%	0.577	S	S	*	*			trans	-106	122.6	179.1	-172.4	176.4	-178.8	173.9	1.4	110.2
586	L	74.2	Confident	73.6	Confident	82 Å²	82	120.3 Å²	120.3	43%	0.429	60%	0.603	S	S	.	*			trans	-120.4	129.1	169.1	-173.4	67	0	0	0	108.3	F563 W618	F563-L586 HydrophobicContact CE2-CD1 3.7Å; F563-L586 HydrophobicContact CZ-CD1 3.8Å; L586-W618 HydrophobicContact CD2-CE3 4.37Å; L586-W618 HydrophobicContact CD2-CH2 3.99Å; L586-W618 HydrophobicContact CD2-CZ3 3.46Å; L586-W618 VanDerWaalsContact CD2-CZ3 3.46Å; L586-W618 HydrophobicContact CG-CZ3 3.93Å
587	A	74.3	Confident	71.5	Confident	75 Å²	75	123 Å²	123	62%	0.62	62%	0.616	S	S	*	*			trans	-122.4	124.3	179	0	0	0	0	0	109.9
588	L	73.3	Confident	69.6	Low	83 Å²	83	119.3 Å²	119.3	44%	0.435	60%	0.599	S	S	.	*			trans	-97.8	123.9	172	-178.8	64.7	0	0	0	108.8	W618	L588-W618 HydrophobicContact CB-CD2 4.49Å; L588-W618 HydrophobicContact CB-CE3 3.96Å; L588-W618 HydrophobicContact CB-CH2 4.5Å; L588-W618 HydrophobicContact CB-CZ3 3.95Å; L588-W618 HydrophobicContact CD2-CD2 4.27Å; L588-W618 HydrophobicContact CD2-CE3 4.49Å; L588-W618 HydrophobicContact CD2-CH2 4.49Å; L588-W618 HydrophobicContact CD2-CZ2 4.26Å
589	R	75.2	Confident	67.8	Low	222 Å²	222	125.1 Å²	125.1	84%	0.838	62%	0.615	S	S	*	*			trans	-114.2	117.7	168.5	-64.6	-177.4	179.3	175.4	-0.7	107.9
590	C	70.3	Confident	66.1	Low	39 Å²	39	130.2 Å²	130.2	26%	0.264	64%	0.636	S	S	.	*			trans	-94.8	171.3	171.2	60.8	0	0	0	0	110.8	C645 W652	C590-C645 HydrophobicContact CB-CB 4Å; C590-C645 WeakPolarHBondContact CB-SG 3.49Å; C590-C645 WeakPolarHBondContact SG-CA 3.43Å; C590-C645 WeakPolarHBondContact SG-CB 3.32Å; C590-C645 CovalentContact SG-SG 2.03Å; C590-C645 PolarHBondContact SG-SG 3.26Å; C590-W652 HydrophobicContact CB-CH2 4.26Å; C590-W652 WeakPolarHBondContact O-CH2 3.47Å; C590-W652 WeakPolarHBondContact O-CZ2 3.3Å; C590-W652 WeakPolarHBondContact SG-CH2 3.2Å; C590-W652 WeakPolarHBondContact SG-CZ3 3.26Å
591	G	63.9	Low	64.5	Low	38 Å²	38	122.1 Å²	122.1	39%	0.392	61%	0.608	S	S	.	*			trans	-147.5	175.9	174.2	0	0	0	0	0	109.2	A593	G591-A593 VanDerWaalsContact C-N 3.3Å; G591-A593 PolarHBondContact O-N 2.87Å
592	T	55.9	Low	63	Low	104 Å²	104	117.9 Å²	117.9	64%	0.638	60%	0.602	S	S	*	*	S	Bend	trans	-51.1	83.6	-176.8	54.1	0	0	0	0	113.1	G648	T592-G648 WeakPolarHBondContact CG2-O 3.35Å
593	A	49.1	Very low	61.7	Low	73 Å²	73	116.3 Å²	116.3	60%	0.603	59%	0.591	S	S	*	*			trans	-137	96.1	173.6	0	0	0	0	0	106.6	G591 R595	G591-A593 VanDerWaalsContact C-N 3.3Å; G591-A593 PolarHBondContact O-N 2.87Å; A593-R595 PolarHBondContact O-N 3.08Å
594	R	48.1	Very low	60.6	Low	259 Å²	259	114.7 Å²	114.7	98%	0.977	59%	0.585	S	S	*	*			trans	-49.7	113.6	167.1	-99.3	-179.3	174	173.1	-1.4	108
595	R	51.9	Low	60	Low	159 Å²	159	109.5 Å²	109.5	60%	0.6	57%	0.566	S	S	*	*			trans	-90.9	150.8	167.4	-89.3	-172.9	179.3	-172.3	-4	110.2	A593 D597 L604	A593-R595 PolarHBondContact O-N 3.08Å; R595-D597 PolarHBondContact O-N 2.77Å; R595-L604 HydrophobicContact CB-CD1 4.25Å; R595-L604 PolarHBondContact NH1-O 3.31Å
596	P	45.3	Very low	59.8	Low	108 Å²	108	103.4 Å²	103.4	70%	0.701	54%	0.543	S	S	*	.			trans	-67.8	131.5	175.1	19.9	-13.7	0	0	0	108.8	S598	P596-S598 PolarHBondContact O-N 3.27Å
597	D	45.7	Very low	59.9	Low	114 Å²	114	103.9 Å²	103.9	61%	0.61	54%	0.539	S	S	*	.			trans	-42.5	115	175	-151.8	1.4	0	0	0	111.3	R595 R599	R595-D597 PolarHBondContact O-N 2.77Å; D597-R599 VanDerWaalsContact C-N 3.26Å; D597-R599 HydrophobicContact CB-CG 4.13Å; D597-R599 VanDerWaalsContact CG-CG 3.43Å; D597-R599 PolarHBondContact O-N 2.9Å; D597-R599 VanDerWaalsContact OD2-CG 3.26Å; D597-R599 WeakPolarHBondContact OD2-CG 3.48Å; D597-R599 IonicContact OD2-CZ 3.63Å; D597-R599 IonicContact OD2-NE 2.79Å; D597-R599 PolarHBondContact OD2-NE 2.86Å; D597-R599 IonicContact OD2-NH2 3.5Å
598	S	48.3	Very low	60	Low	41 Å²	41	103.7 Å²	103.7	29%	0.287	53%	0.53	S	S	.	.			trans	-88.3	73.9	165.4	174.9	0	0	0	0	106.6	P596 D600 G601 T602	P596-S598 PolarHBondContact O-N 3.27Å; S598-D600 PolarHBondContact O-N 2.81Å; S598-G601 PolarHBondContact O-N 3.23Å; S598-G601 VanDerWaalsContact O-N 3.07Å; S598-T602 WeakPolarHBondContact OG-CA 3.18Å; S598-T602 PolarHBondContact OG-N 2.85Å; S598-T602 PolarHBondContact OG-O 3.24Å
599	R	48.1	Very low	60.1	Low	212 Å²	212	100.8 Å²	100.8	80%	0.8	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.2	178.4	-69.5	-172.2	-179.9	-174.3	-0.3	113.3	D597	D597-R599 VanDerWaalsContact C-N 3.26Å; D597-R599 HydrophobicContact CB-CG 4.13Å; D597-R599 VanDerWaalsContact CG-CG 3.43Å; D597-R599 PolarHBondContact O-N 2.9Å; D597-R599 VanDerWaalsContact OD2-CG 3.26Å; D597-R599 WeakPolarHBondContact OD2-CG 3.48Å; D597-R599 IonicContact OD2-CZ 3.63Å; D597-R599 IonicContact OD2-NE 2.79Å; D597-R599 PolarHBondContact OD2-NE 2.86Å; D597-R599 IonicContact OD2-NH2 3.5Å
600	D	52.6	Low	59.9	Low	153 Å²	153	100.7 Å²	100.7	82%	0.818	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	3.6	-179.1	-58.7	-25.2	0	0	0	113.7	S598 T602	S598-D600 PolarHBondContact O-N 2.81Å; D600-T602 VanDerWaalsContact C-N 3.34Å; D600-T602 PolarHBondContact O-N 3.17Å
601	G	54.5	Low	60.2	Low	37 Å²	37	102 Å²	102	38%	0.381	53%	0.527	S	S	.	.			trans	74.9	18.1	176	0	0	0	0	0	115.2	S598 Q626	S598-G601 PolarHBondContact O-N 3.23Å; S598-G601 VanDerWaalsContact O-N 3.07Å; G601-Q626 PolarHBondContact O-NE2 3.43Å
602	T	58.3	Low	60.8	Low	89 Å²	89	106.8 Å²	106.8	55%	0.546	54%	0.544	S	S	.	.			trans	-78.4	124.7	178.2	-51.2	0	0	0	0	110.5	S598 D600 L604	S598-T602 WeakPolarHBondContact OG-CA 3.18Å; S598-T602 PolarHBondContact OG-N 2.85Å; S598-T602 PolarHBondContact OG-O 3.24Å; D600-T602 VanDerWaalsContact C-N 3.34Å; D600-T602 PolarHBondContact O-N 3.17Å; T602-L604 PolarHBondContact O-N 3.32Å
603	P	60	Low	62	Low	50 Å²	50	107.1 Å²	107.1	33%	0.325	54%	0.538	S	S	.	.			trans	-68.8	128.5	-179.7	23.4	-29.1	0	0	0	111.7	T616	P603-T616 HydrophobicContact CB-CG2 3.91Å; P603-T616 HydrophobicContact CG-CG2 3.49Å; P603-T616 VanDerWaalsContact CG-CG2 3.49Å
604	L	64.3	Low	63.4	Low	83 Å²	83	108 Å²	108	44%	0.435	54%	0.536	S	S	.	.	S	Bend	trans	-90.9	2	-174.8	-57	174.3	0	0	0	113.6	R595 T602	R595-L604 HydrophobicContact CB-CD1 4.25Å; R595-L604 PolarHBondContact NH1-O 3.31Å; T602-L604 PolarHBondContact O-N 3.32Å
605	S	69.3	Low	64.8	Low	42 Å²	42	98 Å²	98	29%	0.294	50%	0.501	S	S	.	.			trans	-147.5	145.8	175.1	71.5	0	0	0	0	110.1	W618	S605-W618 PolarHBondContact OG-NE1 2.06Å; S605-W618 VanDerWaalsContact OG-NE1 3.09Å
606	W	72.4	Confident	65.7	Low	108 Å²	108	92.6 Å²	92.6	41%	0.409	49%	0.485	S	S	.	.			trans	-154.9	164.8	177.7	61.4	93.7	0	0	0	109.7	L558 T614 H615 T616	L558-W606 HydrophobicContact CD1-CH2 3.5Å; L558-W606 HydrophobicContact CD1-CZ2 3.54Å; L558-W606 HydrophobicContact CD2-CH2 3.07Å; L558-W606 HydrophobicContact CD2-CZ2 3.71Å; L558-W606 HydrophobicContact CD2-CZ3 3.68Å; L558-W606 HydrophobicContact CG-CH2 3.85Å; L558-W606 HydrophobicContact CG-CZ2 4.17Å; W606-T614 HydrophobicContact CB-CG2 3.74Å; W606-T614 HydrophobicContact CG-CG2 3.77Å; W606-H615 CarbonylContact C-O 3.48Å; W606-H615 WeakPolarHBondContact CA-O 3.43Å; W606-H615 VanDerWaalsContact CB-O 3.27Å; W606-H615 WeakPolarHBondContact CB-O 3.41Å; W606-T616 HydrophobicContact CB-CG2 4.28Å
607	W	76.3	Confident	67	Low	92 Å²	92	88.5 Å²	88.5	35%	0.348	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.3	170.7	63	-82.5	0	0	0	109.6	H615 S617 W618	W607-H615 HydrophobicContact CD2-CB 3.86Å; W607-H615 AromaticContact CE2-CG 3.91Å; W607-H615 HydrophobicContact CG-CB 4.24Å; W607-H615 HydrophobicContact CH2-CB 4.3Å; W607-H615 AromaticContact CH2-CD2 3.62Å; W607-H615 AromaticContact CH2-CG 3.93Å; W607-H615 HydrophobicContact CZ2-CB 3.6Å; W607-H615 AromaticContact CZ2-CD2 3.84Å; W607-H615 AromaticContact CZ2-CG 3.66Å; W607-H615 AromaticContact CZ3-CD2 3.76Å; W607-H615 PolarHBondContact N-O 2.99Å; W607-H615 PolarHBondContact O-N 3.34Å; W607-S617 PolarHBondContact NE1-O 2.89Å; W607-W618 HydrophobicContact CB-CH2 4.46Å
608	V	78	Confident	68.2	Low	71 Å²	71	86.4 Å²	86.4	43%	0.43	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.9	178.2	179	0	0	0	0	108.3	E613	V608-E613 WeakPolarHBondContact CA-O 3.27Å
609	G	74.4	Confident	68.8	Low	23 Å²	23	87.8 Å²	87.8	24%	0.237	46%	0.463	C	S	.	.			trans	-94.5	-164	-177.4	0	0	0	0	0	113.8	T611 N612	G609-T611 PolarHBondContact O-N 3.04Å; G609-N612 PolarHBondContact O-N 3.17Å; G609-N612 VanDerWaalsContact O-N 3.13Å
610	R	71.6	Confident	69.6	Low	219 Å²	219	80.7 Å²	80.7	83%	0.826	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.6	-179.8	75	-179.3	-173.5	163.8	1.4	114.5	N612	R610-N612 VanDerWaalsContact C-N 3.27Å
611	T	75.3	Confident	70.4	Confident	67 Å²	67	74.3 Å²	74.3	41%	0.411	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.2	-177	45.7	0	0	0	0	112.4	G609 E613	G609-T611 PolarHBondContact O-N 3.04Å; T611-E613 WeakPolarHBondContact CB-OE2 3.19Å; T611-E613 PolarHBondContact O-N 3.03Å; T611-E613 VanDerWaalsContact OG1-CD 3.26Å; T611-E613 PolarHBondContact OG1-OE2 2.57Å
612	N	77.5	Confident	71.2	Confident	139 Å²	139	78.1 Å²	78.1	74%	0.743	44%	0.435	S	S	*	.			trans	58.3	22.3	-171.3	-157.6	47.7	0	0	0	113.1	G609 R610	G609-N612 PolarHBondContact O-N 3.17Å; G609-N612 VanDerWaalsContact O-N 3.13Å; R610-N612 VanDerWaalsContact C-N 3.27Å
613	E	81.1	Confident	71.7	Confident	110 Å²	110	78.3 Å²	78.3	51%	0.514	44%	0.437	S	S	.	.			trans	-89.3	141.8	175.2	-68.6	164	168.6	0	0	109.7	V608 T611 H615	V608-E613 WeakPolarHBondContact CA-O 3.27Å; T611-E613 WeakPolarHBondContact CB-OE2 3.19Å; T611-E613 PolarHBondContact O-N 3.03Å; T611-E613 VanDerWaalsContact OG1-CD 3.26Å; T611-E613 PolarHBondContact OG1-OE2 2.57Å; E613-H615 PolarHBondContact O-CD2 3.49Å; E613-H615 VanDerWaalsContact O-CD2 3.27Å
614	T	78.7	Confident	72.1	Confident	92 Å²	92	82.5 Å²	82.5	56%	0.564	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.9	176	-58.7	0	0	0	0	109.5	W606	W606-T614 HydrophobicContact CB-CG2 3.74Å; W606-T614 HydrophobicContact CG-CG2 3.77Å
615	H	76.3	Confident	72.3	Confident	50 Å²	50	80 Å²	80	23%	0.231	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.8	175.2	-61.6	-79.7	0	0	0	110.2	W606 W607 E613	W606-H615 CarbonylContact C-O 3.48Å; W606-H615 WeakPolarHBondContact CA-O 3.43Å; W606-H615 VanDerWaalsContact CB-O 3.27Å; W606-H615 WeakPolarHBondContact CB-O 3.41Å; W607-H615 HydrophobicContact CD2-CB 3.86Å; W607-H615 AromaticContact CE2-CG 3.91Å; W607-H615 HydrophobicContact CG-CB 4.24Å; W607-H615 HydrophobicContact CH2-CB 4.3Å; W607-H615 AromaticContact CH2-CD2 3.62Å; W607-H615 AromaticContact CH2-CG 3.93Å; W607-H615 HydrophobicContact CZ2-CB 3.6Å; W607-H615 AromaticContact CZ2-CD2 3.84Å; W607-H615 AromaticContact CZ2-CG 3.66Å; W607-H615 AromaticContact CZ3-CD2 3.76Å; W607-H615 PolarHBondContact N-O 2.99Å; W607-H615 PolarHBondContact O-N 3.34Å; E613-H615 PolarHBondContact O-CD2 3.49Å; E613-H615 VanDerWaalsContact O-CD2 3.27Å
616	T	72.5	Confident	72.3	Confident	45 Å²	45	83.7 Å²	83.7	28%	0.276	46%	0.461	S	S	.	.			trans	-104.1	-10.4	-177.7	54	0	0	0	0	112.6	P603 W606	P603-T616 HydrophobicContact CB-CG2 3.91Å; P603-T616 HydrophobicContact CG-CG2 3.49Å; P603-T616 VanDerWaalsContact CG-CG2 3.49Å; W606-T616 HydrophobicContact CB-CG2 4.28Å
617	S	71.3	Confident	72.3	Confident	22 Å²	22	82 Å²	82	15%	0.154	46%	0.456	C	S	.	.			trans	-85.1	143.5	175.4	55.9	0	0	0	0	111.8	W607	W607-S617 PolarHBondContact NE1-O 2.89Å
618	W	70.9	Confident	72.2	Confident	69 Å²	69	78.7 Å²	78.7	26%	0.261	45%	0.447	S	S	.	.			trans	-117.4	163.8	176.9	-69.6	85.2	0	0	0	111	L586 L588 S605 W607 G620 S621	L586-W618 HydrophobicContact CD2-CE3 4.37Å; L586-W618 HydrophobicContact CD2-CH2 3.99Å; L586-W618 HydrophobicContact CD2-CZ3 3.46Å; L586-W618 VanDerWaalsContact CD2-CZ3 3.46Å; L586-W618 HydrophobicContact CG-CZ3 3.93Å; L588-W618 HydrophobicContact CB-CD2 4.49Å; L588-W618 HydrophobicContact CB-CE3 3.96Å; L588-W618 HydrophobicContact CB-CH2 4.5Å; L588-W618 HydrophobicContact CB-CZ3 3.95Å; L588-W618 HydrophobicContact CD2-CD2 4.27Å; L588-W618 HydrophobicContact CD2-CE3 4.49Å; L588-W618 HydrophobicContact CD2-CH2 4.49Å; L588-W618 HydrophobicContact CD2-CZ2 4.26Å; S605-W618 PolarHBondContact OG-NE1 2.06Å; S605-W618 VanDerWaalsContact OG-NE1 3.09Å; W607-W618 HydrophobicContact CB-CH2 4.46Å; W618-G620 PolarHBondContact O-N 3.08Å; W618-S621 WeakPolarHBondContact O-CB 3.46Å; W618-S621 PolarHBondContact O-N 3.19Å; W618-S621 VanDerWaalsContact O-N 3.08Å
619	G	62.2	Low	72.2	Confident	70 Å²	70	77.2 Å²	77.2	72%	0.722	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	120.8	-162.1	0	0	0	0	0	116.2	T629	G619-T629 PolarHBondContact O-OG1 3.02Å
620	G	64.4	Low	72.3	Confident	63 Å²	63	77.1 Å²	77.1	65%	0.649	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-5.5	-179.8	0	0	0	0	0	115.1	W618 T629	W618-G620 PolarHBondContact O-N 3.08Å; G620-T629 WeakPolarHBondContact CA-OG1 3.37Å
621	S	69.1	Low	72.6	Confident	20 Å²	20	67.4 Å²	67.4	14%	0.14	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-94	151.4	173.9	-174	0	0	0	0	113.8	W618 K627	W618-S621 WeakPolarHBondContact O-CB 3.46Å; W618-S621 PolarHBondContact O-N 3.19Å; W618-S621 VanDerWaalsContact O-N 3.08Å; S621-K627 WeakPolarHBondContact CB-O 3.13Å; S621-K627 PolarHBondContact OG-O 3.09Å
622	L	71.4	Confident	72.8	Confident	117 Å²	117	67.8 Å²	67.8	61%	0.613	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-74	148.2	172	-69.4	167.7	0	0	0	110.9	D624 A625	L622-D624 PolarHBondContact O-N 2.89Å; L622-A625 HydrophobicContact CB-CB 4.16Å; L622-A625 WeakPolarHBondContact O-CB 3.23Å; L622-A625 PolarHBondContact O-N 2.03Å
623	P	69.5	Low	73.1	Confident	92 Å²	92	67.3 Å²	67.3	60%	0.597	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	140.6	167.7	-23.4	33.8	0	0	0	111	A625	P623-A625 PolarHBondContact O-N 3.09Å
624	D	66.6	Low	73.2	Confident	138 Å²	138	65.4 Å²	65.4	74%	0.738	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-0.2	178	-51	-40.7	0	0	0	117.2	L622 Q626	L622-D624 PolarHBondContact O-N 2.89Å; D624-Q626 PolarHBondContact O-N 3.17Å; D624-Q626 VanDerWaalsContact O-N 3.14Å
625	A	69.8	Low	73.5	Confident	31 Å²	31	65.4 Å²	65.4	26%	0.256	40%	0.4	S	S	.	.			trans	-64.4	-20.4	179.9	0	0	0	0	0	113.9	L622 P623 K627 L632	L622-A625 HydrophobicContact CB-CB 4.16Å; L622-A625 WeakPolarHBondContact O-CB 3.23Å; L622-A625 PolarHBondContact O-N 2.03Å; P623-A625 PolarHBondContact O-N 3.09Å; A625-K627 WeakPolarHBondContact O-CG 3.16Å; A625-K627 PolarHBondContact O-N 2.99Å; A625-L632 HydrophobicContact CB-CD2 4.08Å
626	Q	69.9	Low	73.6	Confident	119 Å²	119	63.9 Å²	63.9	56%	0.556	40%	0.395	S	S	*	.			trans	50.1	24.5	-172.9	-60.6	-153.7	-21.7	0	0	114.5	G601 D624	G601-Q626 PolarHBondContact O-NE2 3.43Å; D624-Q626 PolarHBondContact O-N 3.17Å; D624-Q626 VanDerWaalsContact O-N 3.14Å
627	K	71.7	Confident	74	Confident	72 Å²	72	65.5 Å²	65.5	31%	0.313	40%	0.401	S	S	.	.	S	Bend	trans	-129.5	154.4	179.1	-63.7	-177.5	178.9	-168	0	110.6	S621 A625 L632 Y642	S621-K627 WeakPolarHBondContact CB-O 3.13Å; S621-K627 PolarHBondContact OG-O 3.09Å; A625-K627 WeakPolarHBondContact O-CG 3.16Å; A625-K627 PolarHBondContact O-N 2.99Å; K627-L632 HydrophobicContact CB-CD2 4.34Å; K627-L632 HydrophobicContact CB-CG 4.2Å; K627-L632 HydrophobicContact CD-CD2 4.29Å; K627-Y642 HydrophobicContact CD-CD1 4.07Å; K627-Y642 HydrophobicContact CG-CD1 4.01Å; K627-Y642 HydrophobicContact CG-CG 3.96Å
628	C	74	Confident	74.3	Confident	24 Å²	24	66.3 Å²	66.3	16%	0.162	40%	0.404	C	S	.	.			trans	-74.5	171.6	163.3	61.9	0	0	0	0	109.9	C630 G631 L632 Y642 C643	C628-C630 WeakPolarHBondContact CB-SG 3.44Å; C628-C630 PolarHBondContact O-N 3.14Å; C628-C630 VanDerWaalsContact SG-CA 3.5Å; C628-C630 WeakPolarHBondContact SG-CB 3.26Å; C628-C630 PolarHBondContact SG-N 2.88Å; C628-C630 CovalentContact SG-SG 2.06Å; C628-C630 PolarHBondContact SG-SG 3.1Å; C628-G631 PolarHBondContact O-N 3.32Å; C628-G631 PolarHBondContact SG-N 3.19Å; C628-L632 PolarHBondContact O-N 3.03Å; C628-Y642 PolarHBondContact N-O 2.93Å; C628-Y642 VanDerWaalsContact N-O 3.09Å; C628-Y642 PolarHBondContact SG-O 3.35Å; C628-C643 HydrophobicContact CB-CB 3.95Å; C628-C643 VanDerWaalsContact CB-SG 3.6Å; C628-C643 PolarHBondContact N-SG 3.03Å; C628-C643 WeakPolarHBondContact SG-CA 3.34Å
629	T	77.9	Confident	74.6	Confident	40 Å²	40	68.6 Å²	68.6	25%	0.245	43%	0.431	C	S	.	.	H	α-helix	trans	-46	-46.4	165	-43.5	0	0	0	0	111.8	G619 G620 G631 L632 E633	G619-T629 PolarHBondContact O-OG1 3.02Å; G620-T629 WeakPolarHBondContact CA-OG1 3.37Å; T629-G631 VanDerWaalsContact C-N 3.32Å; T629-G631 PolarHBondContact O-N 3.34Å; T629-L632 PolarHBondContact O-N 3.06Å; T629-L632 VanDerWaalsContact O-N 3.17Å; T629-E633 HydrophobicContact CG2-CG 4.48Å; T629-E633 WeakPolarHBondContact CG2-OE1 3.09Å; T629-E633 WeakPolarHBondContact O-CB 3.42Å; T629-E633 WeakPolarHBondContact O-CG 3.17Å; T629-E633 PolarHBondContact O-N 3.31Å
630	C	77	Confident	75.3	Confident	21 Å²	21	72.8 Å²	72.8	14%	0.142	43%	0.431	C	S	.	.	H	α-helix	trans	-60	-36.7	178.9	39.5	0	0	0	0	114.8	C628 G634 N635 C636	C628-C630 WeakPolarHBondContact CB-SG 3.44Å; C628-C630 PolarHBondContact O-N 3.14Å; C628-C630 VanDerWaalsContact SG-CA 3.5Å; C628-C630 WeakPolarHBondContact SG-CB 3.26Å; C628-C630 PolarHBondContact SG-N 2.88Å; C628-C630 CovalentContact SG-SG 2.06Å; C628-C630 PolarHBondContact SG-SG 3.1Å; C630-G634 PolarHBondContact O-N 3.28Å; C630-N635 WeakPolarHBondContact CA-OD1 3.25Å; C630-N635 PolarHBondContact O-N 3.47Å; C630-N635 PolarHBondContact O-OD1 2.84Å; C630-C636 HydrophobicContact CB-CB 4.42Å; C630-C636 VanDerWaalsContact CB-SG 3.55Å; C630-C636 PolarHBondContact O-N 3.2Å; C630-C636 VanDerWaalsContact SG-SG 3.68Å
631	G	77.6	Confident	75.8	Confident	14 Å²	14	74.3 Å²	74.3	14%	0.144	42%	0.418	C	S	.	.	H	α-helix	trans	-80.4	-24	179.3	0	0	0	0	0	112.7	C628 T629 C636	C628-G631 PolarHBondContact O-N 3.32Å; C628-G631 PolarHBondContact SG-N 3.19Å; T629-G631 VanDerWaalsContact C-N 3.32Å; T629-G631 PolarHBondContact O-N 3.34Å; G631-C636 VanDerWaalsContact CA-SG 3.58Å; G631-C636 PolarHBondContact N-SG 3.08Å
632	L	79.2	Confident	76.2	Confident	76 Å²	76	80.2 Å²	80.2	40%	0.398	44%	0.438	S	S	.	.	H	α-helix	trans	-75.4	-40.9	169.7	-70.7	174.5	0	0	0	111.6	A625 K627 C628 T629 G634	A625-L632 HydrophobicContact CB-CD2 4.08Å; K627-L632 HydrophobicContact CB-CD2 4.34Å; K627-L632 HydrophobicContact CB-CG 4.2Å; K627-L632 HydrophobicContact CD-CD2 4.29Å; C628-L632 PolarHBondContact O-N 3.03Å; T629-L632 PolarHBondContact O-N 3.06Å; T629-L632 VanDerWaalsContact O-N 3.17Å; L632-G634 VanDerWaalsContact C-N 3.32Å
633	E	83.5	Confident	76.4	Confident	129 Å²	129	76.1 Å²	76.1	60%	0.603	42%	0.419	S	S	*	.	H	α-helix	trans	-80.1	-14.1	179.4	-68.7	179	-179	0	0	113.1	T629 N635	T629-E633 HydrophobicContact CG2-CG 4.48Å; T629-E633 WeakPolarHBondContact CG2-OE1 3.09Å; T629-E633 WeakPolarHBondContact O-CB 3.42Å; T629-E633 WeakPolarHBondContact O-CG 3.17Å; T629-E633 PolarHBondContact O-N 3.31Å; E633-N635 VanDerWaalsContact C-N 3.3Å; E633-N635 PolarHBondContact OE2-ND2 2.69Å
634	G	83.1	Confident	76.7	Confident	69 Å²	69	72.5 Å²	72.5	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	22.9	-179.4	0	0	0	0	0	113.7	C630 L632	C630-G634 PolarHBondContact O-N 3.28Å; L632-G634 VanDerWaalsContact C-N 3.32Å
635	N	85.3	Confident	77	Confident	93 Å²	93	68 Å²	68	50%	0.497	37%	0.373	S	S	.	.			trans	-116.6	20.1	-177.4	64.9	6.3	0	0	0	112.8	C630 E633	C630-N635 WeakPolarHBondContact CA-OD1 3.25Å; C630-N635 PolarHBondContact O-N 3.47Å; C630-N635 PolarHBondContact O-OD1 2.84Å; E633-N635 VanDerWaalsContact C-N 3.3Å; E633-N635 PolarHBondContact OE2-ND2 2.69Å
636	C	79.2	Confident	77.1	Confident	18 Å²	18	70.8 Å²	70.8	12%	0.122	38%	0.384	C	S	.	.			trans	-53.1	144.8	166.1	-71.5	0	0	0	0	110.6	C630 G631 D638 N644	C630-C636 HydrophobicContact CB-CB 4.42Å; C630-C636 VanDerWaalsContact CB-SG 3.55Å; C630-C636 PolarHBondContact O-N 3.2Å; C630-C636 VanDerWaalsContact SG-SG 3.68Å; G631-C636 VanDerWaalsContact CA-SG 3.58Å; G631-C636 PolarHBondContact N-SG 3.08Å; C636-D638 PolarHBondContact O-N 2.92Å; C636-N644 WeakPolarHBondContact CA-OD1 3.09Å
637	I	80.8	Confident	77.1	Confident	79 Å²	79	66.1 Å²	66.1	41%	0.405	37%	0.366	S	S	.	.	S	Bend	trans	-59	-39.2	176	-72	174.3	0	0	0	111	N644 E651 W652	I637-N644 PolarHBondContact N-OD1 3.11Å; I637-E651 HydrophobicContact CD1-CB 3.89Å; I637-E651 VanDerWaalsContact CD1-O 3.29Å; I637-E651 WeakPolarHBondContact CD1-O 3.38Å; I637-W652 VanDerWaalsContact CD1-C 3.45Å; I637-W652 VanDerWaalsContact CD1-CA 3.49Å; I637-W652 VanDerWaalsContact CD1-N 3.27Å
638	D	77.8	Confident	76.7	Confident	39 Å²	39	64.1 Å²	64.1	21%	0.209	37%	0.366	C	S	.	.	S	Bend	trans	-115.9	109.7	173.2	-170.9	-20.4	0	0	0	110.1	C636 Q640 Y641 A647	C636-D638 PolarHBondContact O-N 2.92Å; D638-Q640 PolarHBondContact O-N 3.07Å; D638-Q640 VanDerWaalsContact O-N 3.11Å; D638-Q640 VanDerWaalsContact OD1-CB 3.32Å; D638-Q640 WeakPolarHBondContact OD1-CB 3.4Å; D638-Q640 WeakPolarHBondContact OD1-CG 3.29Å; D638-Q640 PolarHBondContact OD1-N 3.23Å; D638-Y641 HydrophobicContact CB-CD2 3.82Å; D638-Y641 HydrophobicContact CB-CE2 4.43Å; D638-Y641 PolarHBondContact O-N 3.42Å; D638-Y641 VanDerWaalsContact O-N 3.08Å; D638-Y641 WeakPolarHBondContact OD2-CD2 3.3Å; D638-Y641 VanDerWaalsContact OD2-CE2 3.3Å; D638-Y641 WeakPolarHBondContact OD2-CE2 3.4Å; D638-A647 HydrophobicContact CB-CB 4.07Å
639	S	77.7	Confident	76.2	Confident	117 Å²	117	66.9 Å²	66.9	82%	0.818	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.8	179.5	61.9	0	0	0	0	114.9	Y641	S639-Y641 VanDerWaalsContact C-N 3.27Å
640	Q	76.8	Confident	75.5	Confident	157 Å²	157	69.8 Å²	69.8	73%	0.734	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.9	175	-60.5	-173.3	3.8	0	0	112.7	D638	D638-Q640 PolarHBondContact O-N 3.07Å; D638-Q640 VanDerWaalsContact O-N 3.11Å; D638-Q640 VanDerWaalsContact OD1-CB 3.32Å; D638-Q640 WeakPolarHBondContact OD1-CB 3.4Å; D638-Q640 WeakPolarHBondContact OD1-CG 3.29Å; D638-Q640 PolarHBondContact OD1-N 3.23Å
641	Y	74.4	Confident	74.8	Confident	95 Å²	95	75.2 Å²	75.2	37%	0.373	41%	0.414	S	S	.	.			trans	-114.9	146.4	-175	-63.9	-77.3	0	0	0	112.6	D638 S639 D646 A647	D638-Y641 HydrophobicContact CB-CD2 3.82Å; D638-Y641 HydrophobicContact CB-CE2 4.43Å; D638-Y641 PolarHBondContact O-N 3.42Å; D638-Y641 VanDerWaalsContact O-N 3.08Å; D638-Y641 WeakPolarHBondContact OD2-CD2 3.3Å; D638-Y641 VanDerWaalsContact OD2-CE2 3.3Å; D638-Y641 WeakPolarHBondContact OD2-CE2 3.4Å; S639-Y641 VanDerWaalsContact C-N 3.27Å; Y641-D646 HydrophobicContact CD1-CB 3.69Å; Y641-D646 HydrophobicContact CE1-CB 4.5Å; Y641-D646 HydrophobicContact CG-CB 4.15Å; Y641-A647 HydrophobicContact CD2-CB 3.73Å; Y641-A647 HydrophobicContact CE2-CB 4.11Å; Y641-A647 HydrophobicContact CG-CB 4.29Å
642	Y	76.4	Confident	74.1	Confident	145 Å²	145	82 Å²	82	57%	0.569	44%	0.435	S	S	*	.	S	Bend	trans	-83.1	-14.7	178.4	-68.2	-37.7	0	0	0	113.6	K627 C628	K627-Y642 HydrophobicContact CD-CD1 4.07Å; K627-Y642 HydrophobicContact CG-CD1 4.01Å; K627-Y642 HydrophobicContact CG-CG 3.96Å; C628-Y642 PolarHBondContact N-O 2.93Å; C628-Y642 VanDerWaalsContact N-O 3.09Å; C628-Y642 PolarHBondContact SG-O 3.35Å
643	C	75.8	Confident	73.9	Confident	30 Å²	30	82.4 Å²	82.4	20%	0.203	44%	0.437	C	S	.	.	S	Bend	trans	-139.4	145	168	-49.4	0	0	0	0	112.8	C628 C645 D646	C628-C643 HydrophobicContact CB-CB 3.95Å; C628-C643 VanDerWaalsContact CB-SG 3.6Å; C628-C643 PolarHBondContact N-SG 3.03Å; C628-C643 WeakPolarHBondContact SG-CA 3.34Å; C643-C645 PolarHBondContact O-N 2.9Å; C643-C645 VanDerWaalsContact O-N 3.1Å; C643-D646 VanDerWaalsContact CB-OD2 3.3Å; C643-D646 WeakPolarHBondContact CB-OD2 2.89Å; C643-D646 PolarHBondContact N-OD2 3.35Å; C643-D646 WeakPolarHBondContact O-CB 3.12Å; C643-D646 PolarHBondContact O-N 2.92Å
644	N	76.3	Confident	73.4	Confident	16 Å²	16	79.9 Å²	79.9	9%	0.086	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30	171.6	-73.3	-12.8	0	0	0	112.1	C636 I637 D646 A647 W652	C636-N644 WeakPolarHBondContact CA-OD1 3.09Å; I637-N644 PolarHBondContact N-OD1 3.11Å; N644-D646 PolarHBondContact O-N 3Å; N644-A647 PolarHBondContact O-N 3.13Å; N644-W652 HydrophobicContact CB-CE3 4.39Å; N644-W652 PolarHBondContact ND2-OXT 2.79Å
645	C	74	Confident	72.8	Confident	44 Å²	44	80.5 Å²	80.5	30%	0.297	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-64.3	-23.2	175	-87.9	0	0	0	0	115.4	C590 C643	C590-C645 HydrophobicContact CB-CB 4Å; C590-C645 WeakPolarHBondContact CB-SG 3.49Å; C590-C645 WeakPolarHBondContact SG-CA 3.43Å; C590-C645 WeakPolarHBondContact SG-CB 3.32Å; C590-C645 CovalentContact SG-SG 2.03Å; C590-C645 PolarHBondContact SG-SG 3.26Å; C643-C645 PolarHBondContact O-N 2.9Å; C643-C645 VanDerWaalsContact O-N 3.1Å
646	D	70.8	Confident	72.1	Confident	90 Å²	90	79.8 Å²	79.8	48%	0.481	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-85.4	-20.9	-177.6	-52.6	-35.2	0	0	0	111.2	Y641 C643 N644 G648	Y641-D646 HydrophobicContact CD1-CB 3.69Å; Y641-D646 HydrophobicContact CE1-CB 4.5Å; Y641-D646 HydrophobicContact CG-CB 4.15Å; C643-D646 VanDerWaalsContact CB-OD2 3.3Å; C643-D646 WeakPolarHBondContact CB-OD2 2.89Å; C643-D646 PolarHBondContact N-OD2 3.35Å; C643-D646 WeakPolarHBondContact O-CB 3.12Å; C643-D646 PolarHBondContact O-N 2.92Å; N644-D646 PolarHBondContact O-N 3Å; D646-G648 PolarHBondContact O-N 2.98Å
647	A	69.1	Low	71.7	Confident	20 Å²	20	83.6 Å²	83.6	17%	0.165	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.3	178.9	0	0	0	0	0	113.5	D638 Y641 N644 Q649	D638-A647 HydrophobicContact CB-CB 4.07Å; Y641-A647 HydrophobicContact CD2-CB 3.73Å; Y641-A647 HydrophobicContact CE2-CB 4.11Å; Y641-A647 HydrophobicContact CG-CB 4.29Å; N644-A647 PolarHBondContact O-N 3.13Å; A647-Q649 PolarHBondContact O-N 3.22Å
648	G	64.4	Low	71.1	Confident	31 Å²	31	83.9 Å²	83.9	32%	0.32	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	21.6	176.5	0	0	0	0	0	114.4	T592 D646	T592-G648 WeakPolarHBondContact CG2-O 3.35Å; D646-G648 PolarHBondContact O-N 2.98Å
649	Q	64.1	Low	70.6	Confident	81 Å²	81	87.1 Å²	87.1	38%	0.379	44%	0.442	S	S	.	.			trans	-103.4	157.4	175.8	-59.7	-177.7	17.7	0	0	110.2	A647 E651	A647-Q649 PolarHBondContact O-N 3.22Å; Q649-E651 VanDerWaalsContact C-N 3.29Å
650	N	63.3	Low	70	Confident	102 Å²	102	84.8 Å²	84.8	55%	0.545	41%	0.413	S	S	.	.	S	Bend	trans	-92.9	10.4	176.2	-70	-21.3	0	0	0	112.5	W652	N650-W652 PolarHBondContact O-NE1 3.46Å
651	E	62	Low	69.5	Low	134 Å²	134	78.8 Å²	78.8	63%	0.626	39%	0.387	S	S	*	.			trans	-101.2	141.3	179.5	-60.7	-177.2	-178.3	0	0	108.4	I637 Q649	I637-E651 HydrophobicContact CD1-CB 3.89Å; I637-E651 VanDerWaalsContact CD1-O 3.29Å; I637-E651 WeakPolarHBondContact CD1-O 3.38Å; Q649-E651 VanDerWaalsContact C-N 3.29Å
652	W	62.9	Low	69	Low	158 Å²	158	77.4 Å²	77.4	60%	0.598	39%	0.388	S	S	*	.			trans	-136.3	0	-171.2	-39	78	0	0	0	112.1	C590 I637 N644 N650	C590-W652 HydrophobicContact CB-CH2 4.26Å; C590-W652 WeakPolarHBondContact O-CH2 3.47Å; C590-W652 WeakPolarHBondContact O-CZ2 3.3Å; C590-W652 WeakPolarHBondContact SG-CH2 3.2Å; C590-W652 WeakPolarHBondContact SG-CZ3 3.26Å; I637-W652 VanDerWaalsContact CD1-C 3.45Å; I637-W652 VanDerWaalsContact CD1-CA 3.49Å; I637-W652 VanDerWaalsContact CD1-N 3.27Å; N644-W652 HydrophobicContact CB-CE3 4.39Å; N644-W652 PolarHBondContact ND2-OXT 2.79Å; N650-W652 PolarHBondContact O-NE1 3.46Å

Retrieved 652 of 652 residues in 443.1 ms (Link to these results)

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