A0A096N1J1_PAPAN Loading...

Transforming growth factor beta activator LRRC32

Key regulator of transforming growth factor beta (TGFB1, TGFB2 and TGFB3) that controls TGF-beta activation by maintaining it in a latent state during storage in extracellular space. Associates specifically via disulfide bonds with the Latency-associated peptide (LAP), which is the regulatory chain of TGF-beta, and regulates integrin-dependent activation of TGF-beta. Able to outcompete LTBP1 for binding to LAP regulatory chain of TGF-beta. Controls activation of TGF-beta-1 (TGFB1) on the surface of activated regulatory T-cells (Tregs). Required for epithelial fusion during palate development by regulating activation of TGF-beta-3 (TGFB3).

AlphaFold DB , UniProt , Accession A0A096N1J1, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC32, Length 662 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	43.5	Very low	243 Å²	243	128.8 Å²	128.8	100%	1.197	70%	0.703	S	S	*	*				0	130.3	0	-50.4	-174.3	92.3	0	0	106.4
2	S	40.3	Very low	42.8	Very low	76 Å²	76	129.2 Å²	129.2	53%	0.531	70%	0.703	S	S	.	*			cis	-174.6	107	-9.1	169.8	0	0	0	0	102.2	I5	S2-I5 WeakPolarHBondContact OG-CD1 3.21Å
3	P	46.3	Very low	42.6	Very low	98 Å²	98	126.2 Å²	126.2	64%	0.636	69%	0.691	S	S	*	*	S	Bend	trans	-77.3	169.2	-175.9	36.4	-33.3	0	0	0	108.6	I5	P3-I5 PolarHBondContact O-N 2.74Å
4	Q	42.2	Very low	42.1	Very low	158 Å²	158	129.1 Å²	129.1	74%	0.738	70%	0.704	S	S	*	*	S	Bend	trans	66.8	-15.9	158.8	-65.5	161.7	-25.5	0	0	118.5	L7 L8	Q4-L7 PolarHBondContact O-N 3.24Å; Q4-L8 PolarHBondContact O-N 3.3Å
5	I	48.6	Very low	41.5	Very low	95 Å²	95	124.3 Å²	124.3	49%	0.487	70%	0.697	S	S	.	*	H	α-helix	trans	-74.2	-35.8	179.7	-62.8	-174.5	0	0	0	112.1	S2 P3 L7 L9	S2-I5 WeakPolarHBondContact OG-CD1 3.21Å; P3-I5 PolarHBondContact O-N 2.74Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.43Å; I5-L9 HydrophobicContact CG2-CD1 3.73Å; I5-L9 PolarHBondContact O-N 3.47Å
6	L	46.4	Very low	40.9	Very low	162 Å²	162	127 Å²	127	85%	0.848	71%	0.708	S	S	*	*	H	α-helix	trans	-74.4	-18.5	176.4	-97.8	103.3	0	0	0	113.9
7	L	44.4	Very low	40.2	Very low	136 Å²	136	124.8 Å²	124.8	71%	0.712	71%	0.71	S	S	*	*	H	α-helix	trans	-89.4	-25.1	176.9	-147.5	81.3	0	0	0	112.1	Q4 I5	Q4-L7 PolarHBondContact O-N 3.24Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.43Å
8	L	42	Very low	39.8	Very low	116 Å²	116	123.1 Å²	123.1	61%	0.607	71%	0.713	S	S	*	*	H	α-helix	trans	-80.3	-27.2	175.1	-125.7	89.5	0	0	0	113.3	Q4	Q4-L8 PolarHBondContact O-N 3.3Å
9	L	43.8	Very low	39.5	Very low	113 Å²	113	125.8 Å²	125.8	59%	0.592	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-9.3	-177.3	-95.3	146.1	0	0	0	114.8	I5 T13	I5-L9 HydrophobicContact CG2-CD1 3.73Å; I5-L9 PolarHBondContact O-N 3.47Å; L9-T13 HydrophobicContact CD2-CG2 4.5Å; L9-T13 PolarHBondContact O-OG1 3.06Å; L9-T13 VanDerWaalsContact O-OG1 3.06Å
10	A	42.7	Very low	39.3	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-11.5	-177	0	0	0	0	0	114.6
11	L	40.8	Very low	39.1	Very low	142 Å²	142	130.8 Å²	130.8	74%	0.743	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.7	-2.2	-173.1	-81.7	159.3	0	0	0	115.8
12	L	35.5	Very low	39.1	Very low	133 Å²	133	126.3 Å²	126.3	70%	0.696	71%	0.71	S	S	*	*	S	Bend	trans	-131.4	-4.8	-179.3	-89.6	154	0	0	0	115.3
13	T	40.7	Very low	40	Very low	90 Å²	90	132.3 Å²	132.3	55%	0.552	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	7.7	-178.8	43.7	0	0	0	0	115	L9	L9-T13 HydrophobicContact CD2-CG2 4.5Å; L9-T13 PolarHBondContact O-OG1 3.06Å; L9-T13 VanDerWaalsContact O-OG1 3.06Å
14	L	34.5	Very low	41.1	Very low	167 Å²	167	132.9 Å²	132.9	87%	0.874	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.9	61.8	159.5	-77.4	112.9	0	0	0	106.5
15	G	33.9	Very low	43.1	Very low	57 Å²	57	129.2 Å²	129.2	59%	0.588	73%	0.725	S	S	*	*				51.3	67.4	66.4	0	0	0	0	0	107.5	A17	G15-A17 PolarHBondContact O-N 3.11Å; G15-A17 VanDerWaalsContact O-N 3.11Å
16	L	31.2	Very low	45.1	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	71%	0.709	S	S	*	*			trans	-33.3	120.9	172.3	-82	118.8	0	0	0	108.6	A18	L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.8Å
17	A	30.3	Very low	47.2	Very low	89 Å²	89	125 Å²	125	74%	0.736	70%	0.699	S	S	*	*			trans	-39.4	104.5	166.1	0	0	0	0	0	107.8	G15 Q19	G15-A17 PolarHBondContact O-N 3.11Å; G15-A17 VanDerWaalsContact O-N 3.11Å; A17-Q19 PolarHBondContact O-N 2.79Å
18	A	33.1	Very low	49.4	Very low	94 Å²	94	123.6 Å²	123.6	78%	0.777	69%	0.69	S	S	*	*			trans	-61.8	94.7	163.1	0	0	0	0	0	104.1	L16 H20	L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.8Å; A18-H20 VanDerWaalsContact C-N 3.26Å; A18-H20 PolarHBondContact O-N 2.87Å
19	Q	33.9	Very low	51.7	Low	176 Å²	176	121.9 Å²	121.9	82%	0.822	68%	0.684	S	S	*	*			trans	-55	101.9	163.5	-105	173.1	-44.2	0	0	105.4	A17 Q21	A17-Q19 PolarHBondContact O-N 2.79Å; Q19-Q21 PolarHBondContact O-N 3.28Å
20	H	34.1	Very low	53.7	Low	183 Å²	183	123.9 Å²	123.9	85%	0.847	70%	0.695	S	S	*	*			trans	-56.1	92.5	154.4	-95.9	-31.1	0	0	0	106.4	A18 D22	A18-H20 VanDerWaalsContact C-N 3.26Å; A18-H20 PolarHBondContact O-N 2.87Å; H20-D22 PolarHBondContact O-N 2.84Å
21	Q	36.3	Very low	56	Low	172 Å²	172	125 Å²	125	80%	0.804	69%	0.686	S	S	*	*			trans	-69.1	110.3	158.1	-91.1	177.6	-37.7	0	0	106.2	Q19 K23	Q19-Q21 PolarHBondContact O-N 3.28Å; Q21-K23 PolarHBondContact O-N 2.98Å
22	D	39.6	Very low	58.6	Low	149 Å²	149	123.2 Å²	123.2	80%	0.797	67%	0.672	S	S	*	*			trans	-48.4	108.2	162.2	-77.5	-43.5	0	0	0	108.2	H20 V24	H20-D22 PolarHBondContact O-N 2.84Å; D22-V24 PolarHBondContact O-N 3.17Å
23	K	59.3	Low	61.5	Low	203 Å²	203	117 Å²	117	88%	0.883	64%	0.639	S	S	*	*			trans	-68.2	97.6	174.1	-80.9	-176.5	176.5	-179.6	0	107.6	Q21 A25	Q21-K23 PolarHBondContact O-N 2.98Å; K23-A25 PolarHBondContact O-N 3.41Å; K23-A25 VanDerWaalsContact O-N 3.17Å
24	V	70.1	Confident	64.2	Low	109 Å²	109	114 Å²	114	66%	0.661	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-56.8	119.1	169.9	-179.9	0	0	0	0	107.8	D22 L38	D22-V24 PolarHBondContact O-N 3.17Å; V24-L38 HydrophobicContact CB-CD2 3.82Å; V24-L38 HydrophobicContact CG1-CD2 3.65Å
25	A	83.9	Confident	67	Low	82 Å²	82	106 Å²	106	68%	0.678	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-80.9	156.9	179.6	0	0	0	0	0	111	K23	K23-A25 PolarHBondContact O-N 3.41Å; K23-A25 VanDerWaalsContact O-N 3.17Å
26	C	89.7	Confident	69.9	Low	21 Å²	21	107.9 Å²	107.9	14%	0.142	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-59.5	138.6	173.9	-57.9	0	0	0	0	111.3	V33 S34 C35	C26-V33 HydrophobicContact CB-CG1 3.99Å; C26-S34 CarbonylContact C-O 3.23Å; C26-S34 WeakPolarHBondContact CA-O 3.25Å; C26-C35 HydrophobicContact CB-CB 4.07Å; C26-C35 WeakPolarHBondContact CB-SG 3.46Å; C26-C35 WeakPolarHBondContact SG-CB 3.22Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 2.59Å
27	K	91.4	Very high	72.9	Confident	148 Å²	148	102.6 Å²	102.6	64%	0.643	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	128.5	176	-174.4	179.1	179.3	-178.1	0	109.5	V29 S34	K27-V29 HydrophobicContact CG-CG2 4.35Å; K27-S34 PolarHBondContact N-O 2.93Å; K27-S34 PolarHBondContact O-N 3.26Å
28	M	91.4	Very high	75.9	Confident	106 Å²	106	101 Å²	101	52%	0.522	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.9	-178	-53.1	177.7	-144.3	0	0	109.6	K32 V33 P48	M28-K32 WeakPolarHBondContact CA-O 3.17Å; M28-V33 HydrophobicContact CG-CG2 4.23Å; M28-P48 HydrophobicContact SD-CG 3.95Å
29	V	89.7	Confident	78.8	Confident	79 Å²	79	98 Å²	98	48%	0.479	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	121.5	177.6	-177.1	0	0	0	0	107.8	K27 K31 K32	K27-V29 HydrophobicContact CG-CG2 4.35Å; V29-K31 PolarHBondContact O-N 3.2Å; V29-K32 PolarHBondContact N-O 3.36Å; V29-K32 WeakPolarHBondContact O-CA 3.35Å; V29-K32 VanDerWaalsContact O-CB 3.25Å; V29-K32 WeakPolarHBondContact O-CB 3.46Å; V29-K32 PolarHBondContact O-N 3.21Å; V29-K32 VanDerWaalsContact O-O 3.12Å
30	D	85.4	Confident	81.7	Confident	156 Å²	156	91.6 Å²	91.6	83%	0.834	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.8	66.2	171.4	-63.7	-24.7	0	0	0	114.9	K32	D30-K32 PolarHBondContact O-N 3.24Å
31	K	91.8	Very high	84.5	Confident	102 Å²	102	89 Å²	89	44%	0.443	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.8	-178.2	-52.5	-176.2	179.9	-170.7	0	116	V29 E52 T53	V29-K31 PolarHBondContact O-N 3.2Å; K31-E52 HydrophobicContact CB-CB 4.27Å; K31-E52 HydrophobicContact CB-CG 4.29Å; K31-E52 HydrophobicContact CD-CG 3.9Å; K31-E52 WeakPolarHBondContact CD-OE1 3.41Å; K31-E52 IonicContact NZ-OE1 3.24Å; K31-E52 PolarHBondContact NZ-OE1 2.66Å; K31-E52 PolarHBondContact O-N 2.94Å; K31-T53 PolarHBondContact O-N 3.09Å; K31-T53 VanDerWaalsContact O-N 3.17Å
32	K	95.9	Very high	87.2	Confident	104 Å²	104	87.4 Å²	87.4	45%	0.452	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.1	169	177.8	171.8	-178.7	171.5	0	109.9	M28 V29 D30 T53	M28-K32 WeakPolarHBondContact CA-O 3.17Å; V29-K32 PolarHBondContact N-O 3.36Å; V29-K32 WeakPolarHBondContact O-CA 3.35Å; V29-K32 VanDerWaalsContact O-CB 3.25Å; V29-K32 WeakPolarHBondContact O-CB 3.46Å; V29-K32 PolarHBondContact O-N 3.21Å; V29-K32 VanDerWaalsContact O-O 3.12Å; D30-K32 PolarHBondContact O-N 3.24Å; K32-T53 CarbonylContact C-O 3.1Å; K32-T53 WeakPolarHBondContact CA-O 3.07Å; K32-T53 HydrophobicContact CD-CG2 4.17Å; K32-T53 HydrophobicContact CG-CG2 3.89Å
33	V	96.1	Very high	89.7	Confident	2 Å²	2	80.7 Å²	80.7	1%	0.012	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.7	177.6	179.1	0	0	0	0	108.9	C26 M28 L47 T51 T53 L54 D55	C26-V33 HydrophobicContact CB-CG1 3.99Å; M28-V33 HydrophobicContact CG-CG2 4.23Å; V33-L47 HydrophobicContact CG1-CD1 4.05Å; V33-L47 HydrophobicContact CG1-CD2 3.83Å; V33-L47 HydrophobicContact CG1-CG 4.47Å; V33-T51 HydrophobicContact CB-CG2 3.98Å; V33-T51 HydrophobicContact CG2-CG2 3.54Å; V33-T51 WeakPolarHBondContact CG2-OG1 2.97Å; V33-T53 PolarHBondContact N-O 3.26Å; V33-L54 HydrophobicContact CB-CD1 3.94Å; V33-L54 HydrophobicContact CG1-CD1 3.84Å; V33-L54 WeakPolarHBondContact O-CA 3.43Å; V33-D55 PolarHBondContact O-N 3.2Å
34	S	95.9	Very high	91.2	Very high	26 Å²	26	72.2 Å²	72.2	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.9	177.8	-76.8	0	0	0	0	110.2	C26 K27 Q36	C26-S34 CarbonylContact C-O 3.23Å; C26-S34 WeakPolarHBondContact CA-O 3.25Å; K27-S34 PolarHBondContact N-O 2.93Å; K27-S34 PolarHBondContact O-N 3.26Å; S34-Q36 VanDerWaalsContact CB-OE1 3.31Å; S34-Q36 PolarHBondContact OG-OE1 3.33Å
35	C	94.9	Very high	91.9	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.399	C	S	.	.			trans	-117.1	20.5	178.7	-63.4	0	0	0	0	112.1	C26 L38 L40 D55 L56 N59	C26-C35 HydrophobicContact CB-CB 4.07Å; C26-C35 WeakPolarHBondContact CB-SG 3.46Å; C26-C35 WeakPolarHBondContact SG-CB 3.22Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 2.59Å; C35-L38 HydrophobicContact CB-CD1 4.24Å; C35-L40 HydrophobicContact CB-CD1 3.84Å; C35-D55 CarbonylContact C-O 3.46Å; C35-D55 VanDerWaalsContact CA-O 3.32Å; C35-D55 WeakPolarHBondContact CA-O 3.36Å; C35-D55 WeakPolarHBondContact CB-O 3.5Å; C35-D55 PolarHBondContact N-O 3.49Å; C35-L56 HydrophobicContact CB-CD2 3.54Å; C35-L56 HydrophobicContact CB-CG 4.37Å; C35-N59 PolarHBondContact O-ND2 2.87Å
36	Q	94.9	Very high	91.8	Very high	96 Å²	96	74.7 Å²	74.7	45%	0.449	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	141.8	-174.5	68.6	-140.9	75.2	0	0	113.3	S34 L38 D55 S57	S34-Q36 VanDerWaalsContact CB-OE1 3.31Å; S34-Q36 PolarHBondContact OG-OE1 3.33Å; Q36-L38 PolarHBondContact O-N 3.17Å; Q36-L38 VanDerWaalsContact O-N 3.16Å; Q36-D55 PolarHBondContact N-O 2.03Å; Q36-D55 PolarHBondContact OE1-OD2 3.11Å; Q36-S57 CarbonylContact C-O 3.2Å; Q36-S57 WeakPolarHBondContact CA-O 3.37Å; Q36-S57 WeakPolarHBondContact CB-OG 3.35Å
37	G	93.4	Very high	91.8	Very high	57 Å²	57	74.6 Å²	74.6	59%	0.588	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	15.4	170.6	0	0	0	0	0	115.9	S57 G58	G37-S57 PolarHBondContact N-O 3.11Å; G37-G58 VanDerWaalsContact CA-O 3.31Å; G37-G58 WeakPolarHBondContact CA-O 3.32Å
38	L	93.9	Very high	91.8	Very high	55 Å²	55	69.6 Å²	69.6	29%	0.288	39%	0.385	S	S	.	.	S	Bend	trans	-88	-0.9	-174.4	-65.1	-177.1	0	0	0	113.7	V24 C35 Q36 L40 N59	V24-L38 HydrophobicContact CB-CD2 3.82Å; V24-L38 HydrophobicContact CG1-CD2 3.65Å; C35-L38 HydrophobicContact CB-CD1 4.24Å; Q36-L38 PolarHBondContact O-N 3.17Å; Q36-L38 VanDerWaalsContact O-N 3.16Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 HydrophobicContact CB-CD1 4.37Å; L38-L40 HydrophobicContact CB-CD2 4.46Å; L38-L40 HydrophobicContact CB-CG 3.97Å; L38-N59 PolarHBondContact N-OD1 3.16Å; L38-N59 VanDerWaalsContact N-OD1 3.11Å
39	G	93.5	Very high	91.7	Very high	31 Å²	31	68.9 Å²	68.9	32%	0.32	39%	0.388	S	S	.	.			trans	67.9	32.5	-176.2	0	0	0	0	0	112.9	N59 Q60	G39-N59 PolarHBondContact N-OD1 3.11Å; G39-Q60 PolarHBondContact O-OE1 2.86Å
40	L	93.6	Very high	91.9	Very high	43 Å²	43	69 Å²	69	23%	0.225	39%	0.386	C	S	.	.			trans	-70.6	134.1	179.4	-62.6	171.7	0	0	0	110.9	C35 L38 P44 L56 N59 Q60 L61	C35-L40 HydrophobicContact CB-CD1 3.84Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 HydrophobicContact CB-CD1 4.37Å; L38-L40 HydrophobicContact CB-CD2 4.46Å; L38-L40 HydrophobicContact CB-CG 3.97Å; L40-P44 HydrophobicContact CD1-CG 4Å; L40-L56 HydrophobicContact CD1-CD2 3.74Å; L40-N59 HydrophobicContact CB-CB 4.14Å; L40-N59 WeakPolarHBondContact CB-OD1 3.36Å; L40-N59 PolarHBondContact N-OD1 3.3Å; L40-Q60 CarbonylContact O-C 3.56Å; L40-Q60 WeakPolarHBondContact O-CA 3.35Å; L40-Q60 PolarHBondContact O-N 2.78Å; L40-L61 HydrophobicContact CB-CD2 4.48Å; L40-L61 PolarHBondContact O-N 3.04Å
41	L	94.1	Very high	92.3	Very high	129 Å²	129	61.7 Å²	61.7	68%	0.675	35%	0.347	S	S	*	.	S	Bend	trans	-93.2	-18.6	176.4	-61.8	173.9	0	0	0	113.1	Q60	L41-Q60 HydrophobicContact CD2-CB 3.87Å
42	Q	92.2	Very high	92.6	Very high	137 Å²	137	59 Å²	59	64%	0.64	34%	0.336	S	S	*	.	S	Bend	trans	-146.7	156.9	-178.8	65.1	-174.5	8.5	0	0	110.7	L61	Q42-L61 VanDerWaalsContact CA-CD2 3.42Å; Q42-L61 VanDerWaalsContact N-CD2 3.33Å
43	V	93.1	Very high	92.7	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	33%	0.326	C	S	.	.			trans	-60.4	130.3	173.5	178.2	0	0	0	0	109.1	L56 L61 I64 P68 L69 Y72	V43-L56 HydrophobicContact CG1-CD1 4.18Å; V43-L56 HydrophobicContact CG2-CD1 4.2Å; V43-L61 HydrophobicContact CG2-CD1 4.42Å; V43-I64 HydrophobicContact CG2-CD1 4.2Å; V43-P68 HydrophobicContact CB-CG 3.81Å; V43-P68 HydrophobicContact CG1-CG 3.95Å; V43-P68 WeakPolarHBondContact O-CG 3.42Å; V43-L69 HydrophobicContact CG1-CD1 4.45Å; V43-Y72 HydrophobicContact CG1-CE2 4.26Å
44	P	90.5	Very high	92.7	Very high	24 Å²	24	55.8 Å²	55.8	16%	0.156	33%	0.325	C	S	.	.			trans	-60.8	143.1	179.4	-23.8	33.9	0	0	0	112.3	L40 L47 L56 Y72	L40-P44 HydrophobicContact CD1-CG 4Å; P44-L47 HydrophobicContact CB-CD1 4.11Å; P44-L47 HydrophobicContact CB-CD2 4.14Å; P44-L47 HydrophobicContact CB-CG 3.94Å; P44-L47 HydrophobicContact CG-CD1 4.33Å; P44-L56 HydrophobicContact CG-CD2 4.3Å; P44-Y72 PolarHBondContact O-OH 2.77Å
45	L	85.4	Confident	92.8	Very high	112 Å²	112	55.7 Å²	55.7	59%	0.586	32%	0.323	S	S	*	.	S	Bend	trans	-90.1	-14.4	176.6	-79.6	148.6	0	0	0	113.6	P68 F71	L45-P68 HydrophobicContact CD2-CB 3.59Å; L45-P68 HydrophobicContact CD2-CG 4.36Å; L45-P68 HydrophobicContact CG-CB 4.04Å; L45-P68 HydrophobicContact CG-CG 4.37Å; L45-F71 HydrophobicContact CD2-CE2 4.18Å
46	V	82.1	Confident	92.9	Very high	132 Å²	132	55.7 Å²	55.7	80%	0.8	32%	0.323	S	S	*	.			trans	-117	44.3	-165	-160.4	0	0	0	0	111.1
47	L	89.4	Confident	93	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-101.6	155.8	173.7	-52.8	175.7	0	0	0	110.7	V33 P44 L54 Y72	V33-L47 HydrophobicContact CG1-CD1 4.05Å; V33-L47 HydrophobicContact CG1-CD2 3.83Å; V33-L47 HydrophobicContact CG1-CG 4.47Å; P44-L47 HydrophobicContact CB-CD1 4.11Å; P44-L47 HydrophobicContact CB-CD2 4.14Å; P44-L47 HydrophobicContact CB-CG 3.94Å; P44-L47 HydrophobicContact CG-CD1 4.33Å; L47-L54 HydrophobicContact CD1-CD1 3.69Å; L47-L54 HydrophobicContact CD1-CD2 4.28Å; L47-Y72 HydrophobicContact CB-CD1 4.41Å; L47-Y72 HydrophobicContact CB-CE1 3.58Å; L47-Y72 HydrophobicContact CD1-CE2 4.34Å; L47-Y72 HydrophobicContact CG-CE1 4.43Å; L47-Y72 PolarHBondContact N-OH 2.91Å
48	P	90.8	Very high	93.2	Very high	43 Å²	43	51.3 Å²	51.3	28%	0.279	30%	0.3	S	S	.	.			trans	-58.5	131.8	174.7	-21.9	33.3	0	0	0	111.3	M28 D50 T51	M28-P48 HydrophobicContact SD-CG 3.95Å; P48-D50 WeakPolarHBondContact CB-OD1 3.16Å; P48-D50 PolarHBondContact O-N 2.91Å; P48-T51 WeakPolarHBondContact O-CB 3.49Å; P48-T51 PolarHBondContact O-N 3.25Å; P48-T51 PolarHBondContact O-OG1 3.48Å
49	P	89.4	Confident	93.3	Very high	90 Å²	90	49.1 Å²	49.1	58%	0.584	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	-177.4	27.9	-35	0	0	0	113.4	T51	P49-T51 VanDerWaalsContact C-N 3.27Å; P49-T51 PolarHBondContact O-N 2.88Å
50	D	93.4	Very high	93.5	Very high	83 Å²	83	52.1 Å²	52.1	44%	0.444	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	12	176.7	66	-36.5	0	0	0	113.6	P48 E52	P48-D50 WeakPolarHBondContact CB-OD1 3.16Å; P48-D50 PolarHBondContact O-N 2.91Å; D50-E52 PolarHBondContact O-N 3.46Å
51	T	95.1	Very high	93.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.284	C	S	.	.			trans	-62.1	124.8	174.9	-61.1	0	0	0	0	110.8	V33 P48 P49 T53 L54 A74 L75	V33-T51 HydrophobicContact CB-CG2 3.98Å; V33-T51 HydrophobicContact CG2-CG2 3.54Å; V33-T51 WeakPolarHBondContact CG2-OG1 2.97Å; P48-T51 WeakPolarHBondContact O-CB 3.49Å; P48-T51 PolarHBondContact O-N 3.25Å; P48-T51 PolarHBondContact O-OG1 3.48Å; P49-T51 VanDerWaalsContact C-N 3.27Å; P49-T51 PolarHBondContact O-N 2.88Å; T51-T53 VanDerWaalsContact CG2-O 3.31Å; T51-T53 WeakPolarHBondContact CG2-O 3.27Å; T51-L54 HydrophobicContact CG2-CB 4.38Å; T51-A74 CarbonylContact O-C 3.05Å; T51-L75 HydrophobicContact CG2-CD2 3.94Å; T51-L75 PolarHBondContact O-N 2.91Å
52	E	96.6	Very high	93.7	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.22	28%	0.278	C	S	.	.			trans	-100.6	-27.5	177.9	-70.2	-176.5	-150.3	0	0	112.2	K31 D50 R76 H77	K31-E52 HydrophobicContact CB-CB 4.27Å; K31-E52 HydrophobicContact CB-CG 4.29Å; K31-E52 HydrophobicContact CD-CG 3.9Å; K31-E52 WeakPolarHBondContact CD-OE1 3.41Å; K31-E52 IonicContact NZ-OE1 3.24Å; K31-E52 PolarHBondContact NZ-OE1 2.66Å; K31-E52 PolarHBondContact O-N 2.94Å; D50-E52 PolarHBondContact O-N 3.46Å; E52-R76 PolarHBondContact O-N 3.05Å; E52-R76 IonicContact OE2-CZ 2.72Å; E52-R76 IonicContact OE2-NH1 3.23Å; E52-R76 PolarHBondContact OE2-NH1 2.92Å; E52-H77 PolarHBondContact O-N 3.03Å
53	T	97.6	Very high	93.7	Very high	38 Å²	38	47 Å²	47	23%	0.233	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.3	177.9	-60.2	0	0	0	0	110.2	K31 K32 V33 T51 H77	K31-T53 PolarHBondContact O-N 3.09Å; K31-T53 VanDerWaalsContact O-N 3.17Å; K32-T53 CarbonylContact C-O 3.1Å; K32-T53 WeakPolarHBondContact CA-O 3.07Å; K32-T53 HydrophobicContact CD-CG2 4.17Å; K32-T53 HydrophobicContact CG-CG2 3.89Å; V33-T53 PolarHBondContact N-O 3.26Å; T51-T53 VanDerWaalsContact CG2-O 3.31Å; T51-T53 WeakPolarHBondContact CG2-O 3.27Å; T53-H77 WeakPolarHBondContact CA-O 3.5Å; T53-H77 HydrophobicContact CG2-CB 4.03Å
54	L	97.1	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.4	177.3	178.1	59	0	0	0	110.2	V33 L47 T51 L56 Y72 L75 H77 L78 D79	V33-L54 HydrophobicContact CB-CD1 3.94Å; V33-L54 HydrophobicContact CG1-CD1 3.84Å; V33-L54 WeakPolarHBondContact O-CA 3.43Å; L47-L54 HydrophobicContact CD1-CD1 3.69Å; L47-L54 HydrophobicContact CD1-CD2 4.28Å; T51-L54 HydrophobicContact CG2-CB 4.38Å; L54-L56 HydrophobicContact CD1-CD1 4.32Å; L54-L56 HydrophobicContact CD1-CG 4.05Å; L54-L56 HydrophobicContact CD2-CD1 3.73Å; L54-L56 HydrophobicContact CD2-CG 4.34Å; L54-L56 HydrophobicContact CG-CD1 3.93Å; L54-L56 HydrophobicContact CG-CG 4Å; L54-Y72 HydrophobicContact CD2-CD2 4.5Å; L54-L75 HydrophobicContact CB-CD1 4.47Å; L54-L75 HydrophobicContact CB-CD2 3.57Å; L54-L75 HydrophobicContact CD2-CD1 4.3Å; L54-H77 PolarHBondContact N-O 2.97Å; L54-L78 HydrophobicContact CB-CD1 4.1Å; L54-L78 HydrophobicContact CD2-CD1 3.98Å; L54-L78 HydrophobicContact CG-CD1 4.1Å; L54-D79 PolarHBondContact O-N 2.9Å
55	D	97.4	Very high	93.8	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.128	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.7	174.7	-178.3	-7.3	0	0	0	109.8	V33 C35 Q36 S57	V33-D55 PolarHBondContact O-N 3.2Å; C35-D55 CarbonylContact C-O 3.46Å; C35-D55 VanDerWaalsContact CA-O 3.32Å; C35-D55 WeakPolarHBondContact CA-O 3.36Å; C35-D55 WeakPolarHBondContact CB-O 3.5Å; C35-D55 PolarHBondContact N-O 3.49Å; Q36-D55 PolarHBondContact N-O 2.03Å; Q36-D55 PolarHBondContact OE1-OD2 3.11Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.19Å; D55-S57 PolarHBondContact OD1-OG 3.24Å
56	L	97.1	Very high	93.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.			trans	-116.8	21.6	176.9	-77.1	166.7	0	0	0	111.2	C35 L40 V43 P44 L54 N59 L61 D79 L80 N83	C35-L56 HydrophobicContact CB-CD2 3.54Å; C35-L56 HydrophobicContact CB-CG 4.37Å; L40-L56 HydrophobicContact CD1-CD2 3.74Å; V43-L56 HydrophobicContact CG1-CD1 4.18Å; V43-L56 HydrophobicContact CG2-CD1 4.2Å; P44-L56 HydrophobicContact CG-CD2 4.3Å; L54-L56 HydrophobicContact CD1-CD1 4.32Å; L54-L56 HydrophobicContact CD1-CG 4.05Å; L54-L56 HydrophobicContact CD2-CD1 3.73Å; L54-L56 HydrophobicContact CD2-CG 4.34Å; L54-L56 HydrophobicContact CG-CD1 3.93Å; L54-L56 HydrophobicContact CG-CG 4Å; L56-N59 VanDerWaalsContact C-ND2 3.32Å; L56-N59 PolarHBondContact O-ND2 3Å; L56-L61 HydrophobicContact CB-CD1 4.2Å; L56-L61 HydrophobicContact CD1-CD1 4.4Å; L56-D79 WeakPolarHBondContact CA-O 3.43Å; L56-D79 WeakPolarHBondContact CB-O 3.31Å; L56-D79 PolarHBondContact N-O 3.29Å; L56-L80 HydrophobicContact CB-CD2 3.86Å; L56-L80 HydrophobicContact CD1-CD2 3.84Å; L56-N83 PolarHBondContact O-ND2 3Å
57	S	97.8	Very high	94.2	Very high	21 Å²	21	42.1 Å²	42.1	15%	0.147	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	153	-177.9	63.1	0	0	0	0	113.3	Q36 G37 D55 N59 S81	Q36-S57 CarbonylContact C-O 3.2Å; Q36-S57 WeakPolarHBondContact CA-O 3.37Å; Q36-S57 WeakPolarHBondContact CB-OG 3.35Å; G37-S57 PolarHBondContact N-O 3.11Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.19Å; D55-S57 PolarHBondContact OD1-OG 3.24Å; S57-N59 VanDerWaalsContact C-N 3.31Å; S57-N59 PolarHBondContact O-N 3.11Å; S57-N59 PolarHBondContact O-ND2 3.48Å; S57-S81 CarbonylContact C-O 3.5Å; S57-S81 WeakPolarHBondContact CA-O 3.22Å; S57-S81 WeakPolarHBondContact CB-OG 3.29Å
58	G	97.1	Very high	94	Very high	40 Å²	40	42.2 Å²	42.2	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	30.9	173.9	0	0	0	0	0	114.1	G37 S81 A82	G37-G58 VanDerWaalsContact CA-O 3.31Å; G37-G58 WeakPolarHBondContact CA-O 3.32Å; G58-S81 PolarHBondContact N-O 3.12Å; G58-A82 WeakPolarHBondContact CA-O 3.45Å; G58-A82 PolarHBondContact N-O 3.41Å
59	N	96.9	Very high	94	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-107.6	-166.8	176.7	-76.1	-67.2	0	0	0	110.5	C35 L38 G39 L40 L56 S57 L61 A82 N83	C35-N59 PolarHBondContact O-ND2 2.87Å; L38-N59 PolarHBondContact N-OD1 3.16Å; L38-N59 VanDerWaalsContact N-OD1 3.11Å; G39-N59 PolarHBondContact N-OD1 3.11Å; L40-N59 HydrophobicContact CB-CB 4.14Å; L40-N59 WeakPolarHBondContact CB-OD1 3.36Å; L40-N59 PolarHBondContact N-OD1 3.3Å; L56-N59 VanDerWaalsContact C-ND2 3.32Å; L56-N59 PolarHBondContact O-ND2 3Å; S57-N59 VanDerWaalsContact C-N 3.31Å; S57-N59 PolarHBondContact O-N 3.11Å; S57-N59 PolarHBondContact O-ND2 3.48Å; N59-L61 HydrophobicContact CB-CG 4.26Å; N59-A82 PolarHBondContact N-O 3.33Å; N59-N83 VanDerWaalsContact CA-OD1 3.27Å; N59-N83 WeakPolarHBondContact CA-OD1 3.32Å; N59-N83 WeakPolarHBondContact CB-OD1 3.21Å; N59-N83 PolarHBondContact N-OD1 2.89Å; N59-N83 PolarHBondContact O-OD1 3.16Å
60	Q	96.9	Very high	93.9	Very high	93 Å²	93	36.8 Å²	36.8	44%	0.435	21%	0.212	S	C	.	.			trans	-119.2	33.8	-176.8	-67.5	147.1	6.2	0	0	110.6	G39 L40 L41 R62 N83	G39-Q60 PolarHBondContact O-OE1 2.86Å; L40-Q60 CarbonylContact O-C 3.56Å; L40-Q60 WeakPolarHBondContact O-CA 3.35Å; L40-Q60 PolarHBondContact O-N 2.78Å; L41-Q60 HydrophobicContact CD2-CB 3.87Å; Q60-R62 PolarHBondContact O-N 2.83Å; Q60-N83 PolarHBondContact N-OD1 2.96Å
61	L	96.4	Very high	93.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	22%	0.215	C	C	.	.			trans	-68	129.1	179.2	-57.2	179.6	0	0	0	109.8	L40 Q42 V43 L56 N59 I64 L80 N83 E84 I85	L40-L61 HydrophobicContact CB-CD2 4.48Å; L40-L61 PolarHBondContact O-N 3.04Å; Q42-L61 VanDerWaalsContact CA-CD2 3.42Å; Q42-L61 VanDerWaalsContact N-CD2 3.33Å; V43-L61 HydrophobicContact CG2-CD1 4.42Å; L56-L61 HydrophobicContact CB-CD1 4.2Å; L56-L61 HydrophobicContact CD1-CD1 4.4Å; N59-L61 HydrophobicContact CB-CG 4.26Å; L61-I64 HydrophobicContact CD1-CD1 4.41Å; L61-L80 HydrophobicContact CD1-CD2 3.82Å; L61-N83 HydrophobicContact CB-CB 4.21Å; L61-N83 VanDerWaalsContact CB-OD1 3.29Å; L61-N83 WeakPolarHBondContact CB-OD1 3.46Å; L61-N83 VanDerWaalsContact CG-OD1 3.23Å; L61-N83 WeakPolarHBondContact CG-OD1 3.44Å; L61-N83 PolarHBondContact N-OD1 2.94Å; L61-E84 CarbonylContact O-C 3.35Å; L61-E84 VanDerWaalsContact O-CA 3.29Å; L61-E84 WeakPolarHBondContact O-CA 3.45Å; L61-E84 PolarHBondContact O-N 2.73Å; L61-I85 HydrophobicContact CB-CG1 4.12Å; L61-I85 WeakPolarHBondContact O-CG1 3.12Å; L61-I85 PolarHBondContact O-N 2.91Å
62	R	94.7	Very high	93.6	Very high	150 Å²	150	38.4 Å²	38.4	57%	0.566	22%	0.215	S	C	*	.			trans	-104.7	-25.2	179.3	-69.3	-178.1	172.8	-170.3	0.3	114.3	Q60 E84 I85 N86 F87	Q60-R62 PolarHBondContact O-N 2.83Å; R62-E84 HydrophobicContact CG-CB 4.08Å; R62-E84 IonicContact CZ-OE2 3.58Å; R62-E84 IonicContact NE-OE2 3.09Å; R62-E84 PolarHBondContact NE-OE2 2.84Å; R62-E84 VanDerWaalsContact NE-OE2 3.09Å; R62-E84 IonicContact NH2-OE2 3.2Å; R62-E84 PolarHBondContact NH2-OE2 3.37Å; R62-I85 WeakPolarHBondContact O-CA 3.1Å; R62-N86 PolarHBondContact O-N 2.81Å; R62-N86 PolarHBondContact O-OD1 3.34Å; R62-N86 VanDerWaalsContact O-OD1 3.11Å; R62-F87 PolarHBondContact O-N 3.48Å
63	S	93.1	Very high	93.4	Very high	51 Å²	51	39.7 Å²	39.7	36%	0.357	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.8	-175.3	57.8	0	0	0	0	111	F87	S63-F87 VanDerWaalsContact CA-O 3.32Å; S63-F87 WeakPolarHBondContact CA-O 3.12Å
64	I	93.4	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.2	169.5	-56.7	-60.9	0	0	0	108.9	V43 L61 L69 L80 I85 F87 L88 Q89 A92 F93	V43-I64 HydrophobicContact CG2-CD1 4.2Å; L61-I64 HydrophobicContact CD1-CD1 4.41Å; I64-L69 HydrophobicContact CG2-CD2 3.74Å; I64-L80 HydrophobicContact CD1-CD1 3.84Å; I64-L80 HydrophobicContact CD1-CD2 3.9Å; I64-L80 HydrophobicContact CD1-CG 4.49Å; I64-L80 HydrophobicContact CG1-CD1 4.05Å; I64-I85 HydrophobicContact CD1-CD1 3.84Å; I64-I85 HydrophobicContact CD1-CG1 4.38Å; I64-I85 HydrophobicContact CG1-CD1 3.76Å; I64-I85 HydrophobicContact CG1-CG1 4.24Å; I64-I85 HydrophobicContact CG1-CG2 4.02Å; I64-F87 PolarHBondContact N-O 2.86Å; I64-L88 HydrophobicContact CB-CD2 3.77Å; I64-L88 HydrophobicContact CG1-CD2 3.98Å; I64-Q89 PolarHBondContact O-N 2.87Å; I64-A92 HydrophobicContact CG2-CB 4.11Å; I64-F93 HydrophobicContact CG2-CE1 4.16Å; I64-F93 HydrophobicContact CG2-CZ 4.04Å
65	L	91.4	Very high	93.3	Very high	72 Å²	72	39.2 Å²	39.2	38%	0.377	23%	0.226	S	C	.	.			trans	-105.3	151	178.5	-58.2	-178.8	0	0	0	109.5	S67 F87 Q89	L65-S67 WeakPolarHBondContact CB-O 3.37Å; L65-S67 PolarHBondContact O-N 3.36Å; L65-F87 HydrophobicContact CD2-CD1 4.16Å; L65-F87 HydrophobicContact CD2-CE1 3.8Å; L65-Q89 HydrophobicContact CD2-CB 4.18Å
66	A	89.1	Confident	93.3	Very high	24 Å²	24	43.1 Å²	43.1	20%	0.198	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-29.5	177	0	0	0	0	0	111.9	G70	A66-G70 WeakPolarHBondContact O-CA 3.25Å; A66-G70 PolarHBondContact O-N 3.36Å
67	S	86.9	Confident	93.4	Very high	78 Å²	78	46.3 Å²	46.3	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-116.5	126.9	166.3	-60	0	0	0	0	108.4	L65	L65-S67 WeakPolarHBondContact CB-O 3.37Å; L65-S67 PolarHBondContact O-N 3.36Å
68	P	85.6	Confident	93.4	Very high	22 Å²	22	45.3 Å²	45.3	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	cis	-94.3	-1.8	19.3	35.8	-36.3	0	0	0	116.5	V43 L45 G70 F71	V43-P68 HydrophobicContact CB-CG 3.81Å; V43-P68 HydrophobicContact CG1-CG 3.95Å; V43-P68 WeakPolarHBondContact O-CG 3.42Å; L45-P68 HydrophobicContact CD2-CB 3.59Å; L45-P68 HydrophobicContact CD2-CG 4.36Å; L45-P68 HydrophobicContact CG-CB 4.04Å; L45-P68 HydrophobicContact CG-CG 4.37Å; P68-G70 VanDerWaalsContact C-N 3.29Å; P68-G70 PolarHBondContact O-N 3.17Å; P68-F71 HydrophobicContact CB-CD2 3.92Å; P68-F71 HydrophobicContact CB-CE2 4.03Å; P68-F71 VanDerWaalsContact O-CD2 3.25Å; P68-F71 WeakPolarHBondContact O-CD2 3.31Å; P68-F71 PolarHBondContact O-N 3.17Å
69	L	90.4	Very high	93.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-37.2	-172.6	-170.1	66.8	0	0	0	113.3	V43 I64 F71 Y72 L75 L78 F93 L96	V43-L69 HydrophobicContact CG1-CD1 4.45Å; I64-L69 HydrophobicContact CG2-CD2 3.74Å; L69-F71 PolarHBondContact O-N 3.35Å; L69-F71 VanDerWaalsContact O-N 3.11Å; L69-Y72 WeakPolarHBondContact O-CD2 3.24Å; L69-Y72 PolarHBondContact O-N 3.17Å; L69-Y72 VanDerWaalsContact O-N 3.11Å; L69-L75 HydrophobicContact CD1-CD1 4.28Å; L69-L78 HydrophobicContact CD1-CD1 4.3Å; L69-L78 HydrophobicContact CD1-CD2 3.98Å; L69-L78 HydrophobicContact CD2-CD2 3.93Å; L69-L78 HydrophobicContact CG-CD2 4.48Å; L69-F93 HydrophobicContact CD2-CD1 3.95Å; L69-F93 HydrophobicContact CD2-CE1 3.85Å; L69-L96 HydrophobicContact CD2-CD1 3.98Å; L69-L96 HydrophobicContact CG-CD1 4.09Å
70	G	88.6	Confident	93.5	Very high	18 Å²	18	44.5 Å²	44.5	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.4	-179.9	0	0	0	0	0	115.5	A66 P68 Y72 T73	A66-G70 WeakPolarHBondContact O-CA 3.25Å; A66-G70 PolarHBondContact O-N 3.36Å; P68-G70 VanDerWaalsContact C-N 3.29Å; P68-G70 PolarHBondContact O-N 3.17Å; G70-Y72 VanDerWaalsContact C-N 3.28Å; G70-T73 WeakPolarHBondContact O-CG2 3.41Å
71	F	89.7	Confident	93.5	Very high	116 Å²	116	41 Å²	41	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.1	169.4	-61.7	-44.3	0	0	0	112.7	L45 P68 L69 T73	L45-F71 HydrophobicContact CD2-CE2 4.18Å; P68-F71 HydrophobicContact CB-CD2 3.92Å; P68-F71 HydrophobicContact CB-CE2 4.03Å; P68-F71 VanDerWaalsContact O-CD2 3.25Å; P68-F71 WeakPolarHBondContact O-CD2 3.31Å; P68-F71 PolarHBondContact O-N 3.17Å; L69-F71 PolarHBondContact O-N 3.35Å; L69-F71 VanDerWaalsContact O-N 3.11Å; F71-T73 PolarHBondContact O-N 2.89Å
72	Y	92.4	Very high	93.6	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.012	24%	0.237	C	C	.	.			trans	-98.3	58.5	-175.8	-48.1	-57	0	0	0	110.9	V43 P44 L47 L54 L69 G70 A74 L75 L96	V43-Y72 HydrophobicContact CG1-CE2 4.26Å; P44-Y72 PolarHBondContact O-OH 2.77Å; L47-Y72 HydrophobicContact CB-CD1 4.41Å; L47-Y72 HydrophobicContact CB-CE1 3.58Å; L47-Y72 HydrophobicContact CD1-CE2 4.34Å; L47-Y72 HydrophobicContact CG-CE1 4.43Å; L47-Y72 PolarHBondContact N-OH 2.91Å; L54-Y72 HydrophobicContact CD2-CD2 4.5Å; L69-Y72 WeakPolarHBondContact O-CD2 3.24Å; L69-Y72 PolarHBondContact O-N 3.17Å; L69-Y72 VanDerWaalsContact O-N 3.11Å; G70-Y72 VanDerWaalsContact C-N 3.28Å; Y72-A74 PolarHBondContact O-N 3.13Å; Y72-A74 VanDerWaalsContact O-N 3.17Å; Y72-L75 WeakPolarHBondContact O-CB 3.36Å; Y72-L75 VanDerWaalsContact O-CG 3.24Å; Y72-L75 WeakPolarHBondContact O-CG 3.47Å; Y72-L75 PolarHBondContact O-N 3.19Å; Y72-L75 VanDerWaalsContact O-N 3.13Å; Y72-L96 WeakPolarHBondContact O-CD2 3.49Å
73	T	92.5	Very high	93.7	Very high	74 Å²	74	36.6 Å²	36.6	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.1	-173.4	55.5	0	0	0	0	114.1	G70 F71 L75	G70-T73 WeakPolarHBondContact O-CG2 3.41Å; F71-T73 PolarHBondContact O-N 2.89Å; T73-L75 VanDerWaalsContact C-N 3.27Å; T73-L75 PolarHBondContact O-N 2.96Å
74	A	95.3	Very high	93.9	Very high	28 Å²	28	36.5 Å²	36.5	23%	0.231	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4	175.5	0	0	0	0	0	114	T51 Y72 R76	T51-A74 CarbonylContact O-C 3.05Å; Y72-A74 PolarHBondContact O-N 3.13Å; Y72-A74 VanDerWaalsContact O-N 3.17Å; A74-R76 PolarHBondContact O-N 3.48Å
75	L	96.8	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.			trans	-60.4	130.2	-177.7	-76	175.1	0	0	0	112.3	T51 L54 L69 Y72 T73 L78 L96 H98 L99	T51-L75 HydrophobicContact CG2-CD2 3.94Å; T51-L75 PolarHBondContact O-N 2.91Å; L54-L75 HydrophobicContact CB-CD1 4.47Å; L54-L75 HydrophobicContact CB-CD2 3.57Å; L54-L75 HydrophobicContact CD2-CD1 4.3Å; L69-L75 HydrophobicContact CD1-CD1 4.28Å; Y72-L75 WeakPolarHBondContact O-CB 3.36Å; Y72-L75 VanDerWaalsContact O-CG 3.24Å; Y72-L75 WeakPolarHBondContact O-CG 3.47Å; Y72-L75 PolarHBondContact O-N 3.19Å; Y72-L75 VanDerWaalsContact O-N 3.13Å; T73-L75 VanDerWaalsContact C-N 3.27Å; T73-L75 PolarHBondContact O-N 2.96Å; L75-L78 HydrophobicContact CD1-CD1 4.46Å; L75-L96 HydrophobicContact CB-CD2 4.42Å; L75-L96 HydrophobicContact CD1-CD1 4.25Å; L75-L96 HydrophobicContact CD1-CD2 4.13Å; L75-H98 CarbonylContact O-C 3.59Å; L75-L99 WeakPolarHBondContact O-CA 3.45Å; L75-L99 PolarHBondContact O-N 3.5Å
76	R	97.4	Very high	94	Very high	105 Å²	105	35.5 Å²	35.5	40%	0.396	20%	0.202	S	C	.	.	S	Bend	trans	-111.5	-35.6	171.2	-68.3	179.2	160.9	152.8	-8.1	111.9	E52 A74 H98 E100 H101	E52-R76 PolarHBondContact O-N 3.05Å; E52-R76 IonicContact OE2-CZ 2.72Å; E52-R76 IonicContact OE2-NH1 3.23Å; E52-R76 PolarHBondContact OE2-NH1 2.92Å; A74-R76 PolarHBondContact O-N 3.48Å; R76-H98 WeakPolarHBondContact CA-O 3.41Å; R76-H98 HydrophobicContact CG-CB 4.33Å; R76-E100 IonicContact NE-OE1 2.73Å; R76-E100 WeakPolarHBondContact O-CA 3.18Å; R76-E100 PolarHBondContact O-N 2.84Å; R76-H101 PolarHBondContact O-N 2.92Å
77	H	98.1	Very high	94.2	Very high	68 Å²	68	37 Å²	37	32%	0.315	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.6	179.7	-174	-67.3	0	0	0	110.3	E52 T53 L54 H101	E52-H77 PolarHBondContact O-N 3.03Å; T53-H77 WeakPolarHBondContact CA-O 3.5Å; T53-H77 HydrophobicContact CG2-CB 4.03Å; L54-H77 PolarHBondContact N-O 2.97Å; H77-H101 HydrophobicContact CB-CB 4.31Å; H77-H101 VanDerWaalsContact CD2-CB 3.44Å; H77-H101 WeakPolarHBondContact CD2-CB 3.44Å; H77-H101 AromaticContact CD2-CG 3.85Å
78	L	97.9	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.6	178.6	178.6	58.9	0	0	0	110	L54 L69 L75 L80 F93 L96 L99 H101 L102 S103	L54-L78 HydrophobicContact CB-CD1 4.1Å; L54-L78 HydrophobicContact CD2-CD1 3.98Å; L54-L78 HydrophobicContact CG-CD1 4.1Å; L69-L78 HydrophobicContact CD1-CD1 4.3Å; L69-L78 HydrophobicContact CD1-CD2 3.98Å; L69-L78 HydrophobicContact CD2-CD2 3.93Å; L69-L78 HydrophobicContact CG-CD2 4.48Å; L75-L78 HydrophobicContact CD1-CD1 4.46Å; L78-L80 HydrophobicContact CD1-CD1 4.35Å; L78-L80 HydrophobicContact CD1-CD2 4.3Å; L78-L80 HydrophobicContact CD1-CG 4.02Å; L78-L80 HydrophobicContact CD2-CD1 3.84Å; L78-L80 HydrophobicContact CD2-CG 4.38Å; L78-L80 HydrophobicContact CG-CD1 3.97Å; L78-L80 HydrophobicContact CG-CG 3.97Å; L78-F93 HydrophobicContact CD2-CD1 4.22Å; L78-F93 HydrophobicContact CD2-CE1 3.95Å; L78-L96 HydrophobicContact CD2-CD1 3.89Å; L78-L99 HydrophobicContact CB-CD1 3.73Å; L78-H101 PolarHBondContact N-O 2.9Å; L78-L102 HydrophobicContact CB-CD1 4.25Å; L78-L102 HydrophobicContact CD2-CD1 4.02Å; L78-L102 HydrophobicContact CG-CD1 4.16Å; L78-L102 WeakPolarHBondContact O-CA 3.31Å; L78-S103 PolarHBondContact O-N 3.39Å
79	D	98.3	Very high	94.6	Very high	31 Å²	31	35.9 Å²	35.9	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.3	174.6	-165.4	-23.6	0	0	0	110.2	L54 L56 S81	L54-D79 PolarHBondContact O-N 2.9Å; L56-D79 WeakPolarHBondContact CA-O 3.43Å; L56-D79 WeakPolarHBondContact CB-O 3.31Å; L56-D79 PolarHBondContact N-O 3.29Å; D79-S81 WeakPolarHBondContact OD1-CB 3.45Å; D79-S81 PolarHBondContact OD1-N 3.47Å; D79-S81 PolarHBondContact OD1-OG 3.23Å
80	L	97.9	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.			trans	-120.1	19.6	176.6	-67.2	167.7	0	0	0	111	L56 L61 I64 L78 N83 I85 F93 S103 L104 N107	L56-L80 HydrophobicContact CB-CD2 3.86Å; L56-L80 HydrophobicContact CD1-CD2 3.84Å; L61-L80 HydrophobicContact CD1-CD2 3.82Å; I64-L80 HydrophobicContact CD1-CD1 3.84Å; I64-L80 HydrophobicContact CD1-CD2 3.9Å; I64-L80 HydrophobicContact CD1-CG 4.49Å; I64-L80 HydrophobicContact CG1-CD1 4.05Å; L78-L80 HydrophobicContact CD1-CD1 4.35Å; L78-L80 HydrophobicContact CD1-CD2 4.3Å; L78-L80 HydrophobicContact CD1-CG 4.02Å; L78-L80 HydrophobicContact CD2-CD1 3.84Å; L78-L80 HydrophobicContact CD2-CG 4.38Å; L78-L80 HydrophobicContact CG-CD1 3.97Å; L78-L80 HydrophobicContact CG-CG 3.97Å; L80-N83 PolarHBondContact O-ND2 3.16Å; L80-N83 VanDerWaalsContact O-ND2 3.16Å; L80-I85 HydrophobicContact CB-CD1 3.93Å; L80-F93 HydrophobicContact CD1-CE1 4.11Å; L80-F93 HydrophobicContact CD1-CZ 4.37Å; L80-S103 WeakPolarHBondContact CA-O 3.17Å; L80-S103 WeakPolarHBondContact CB-O 3.19Å; L80-S103 PolarHBondContact N-O 3.02Å; L80-L104 HydrophobicContact CB-CD2 3.88Å; L80-L104 HydrophobicContact CD1-CD2 3.87Å; L80-N107 PolarHBondContact O-ND2 3.31Å
81	S	98.1	Very high	93.9	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	21%	0.207	C	C	.	.			trans	-66.1	160	-176.6	63.2	0	0	0	0	113.1	S57 G58 D79 N83 A105	S57-S81 CarbonylContact C-O 3.5Å; S57-S81 WeakPolarHBondContact CA-O 3.22Å; S57-S81 WeakPolarHBondContact CB-OG 3.29Å; G58-S81 PolarHBondContact N-O 3.12Å; D79-S81 WeakPolarHBondContact OD1-CB 3.45Å; D79-S81 PolarHBondContact OD1-N 3.47Å; D79-S81 PolarHBondContact OD1-OG 3.23Å; S81-N83 PolarHBondContact O-N 3.43Å; S81-N83 PolarHBondContact O-ND2 3.33Å; S81-A105 CarbonylContact C-O 3.52Å; S81-A105 WeakPolarHBondContact CA-O 3.29Å
82	A	97.9	Very high	93.9	Very high	47 Å²	47	33.4 Å²	33.4	39%	0.388	18%	0.184	S	C	.	.	S	Bend	trans	51.4	53.9	176.4	0	0	0	0	0	112.7	G58 N59 A105 H106	G58-A82 WeakPolarHBondContact CA-O 3.45Å; G58-A82 PolarHBondContact N-O 3.41Å; N59-A82 PolarHBondContact N-O 3.33Å; A82-A105 PolarHBondContact N-O 2.95Å; A82-H106 WeakPolarHBondContact CA-O 3.43Å
83	N	97.8	Very high	93.9	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.064	18%	0.184	C	C	.	.	S	Bend	trans	-125.5	-171.3	176.5	-86.6	-84.2	0	0	0	109.8	L56 N59 Q60 L61 L80 S81 I85 H106 N107	L56-N83 PolarHBondContact O-ND2 3Å; N59-N83 VanDerWaalsContact CA-OD1 3.27Å; N59-N83 WeakPolarHBondContact CA-OD1 3.32Å; N59-N83 WeakPolarHBondContact CB-OD1 3.21Å; N59-N83 PolarHBondContact N-OD1 2.89Å; N59-N83 PolarHBondContact O-OD1 3.16Å; Q60-N83 PolarHBondContact N-OD1 2.96Å; L61-N83 HydrophobicContact CB-CB 4.21Å; L61-N83 VanDerWaalsContact CB-OD1 3.29Å; L61-N83 WeakPolarHBondContact CB-OD1 3.46Å; L61-N83 VanDerWaalsContact CG-OD1 3.23Å; L61-N83 WeakPolarHBondContact CG-OD1 3.44Å; L61-N83 PolarHBondContact N-OD1 2.94Å; L80-N83 PolarHBondContact O-ND2 3.16Å; L80-N83 VanDerWaalsContact O-ND2 3.16Å; S81-N83 PolarHBondContact O-N 3.43Å; S81-N83 PolarHBondContact O-ND2 3.33Å; N83-I85 HydrophobicContact CB-CD1 4.11Å; N83-I85 HydrophobicContact CB-CG1 3.99Å; N83-H106 PolarHBondContact N-O 3.06Å; N83-N107 WeakPolarHBondContact CA-OD1 3.16Å; N83-N107 WeakPolarHBondContact CB-OD1 3.38Å; N83-N107 PolarHBondContact O-OD1 2.85Å
84	E	96.4	Very high	93.7	Very high	49 Å²	49	35.2 Å²	35.2	23%	0.229	19%	0.187	C	C	.	.			trans	-108.9	28.1	176.9	-59.1	-165.7	146.2	0	0	112.3	L61 R62 N86 R108	L61-E84 CarbonylContact O-C 3.35Å; L61-E84 VanDerWaalsContact O-CA 3.29Å; L61-E84 WeakPolarHBondContact O-CA 3.45Å; L61-E84 PolarHBondContact O-N 2.73Å; R62-E84 HydrophobicContact CG-CB 4.08Å; R62-E84 IonicContact CZ-OE2 3.58Å; R62-E84 IonicContact NE-OE2 3.09Å; R62-E84 PolarHBondContact NE-OE2 2.84Å; R62-E84 VanDerWaalsContact NE-OE2 3.09Å; R62-E84 IonicContact NH2-OE2 3.2Å; R62-E84 PolarHBondContact NH2-OE2 3.37Å; E84-N86 PolarHBondContact O-N 2.94Å; E84-N86 VanDerWaalsContact O-N 3.12Å; E84-R108 IonicContact OE1-NH2 3.49Å; E84-R108 PolarHBondContact OE1-NH2 3.12Å
85	I	95.4	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.			trans	-66.7	116.1	-169.1	-59.1	163.5	0	0	0	109.7	L61 R62 I64 L80 N83 L88 L104 N107 R108 L109	L61-I85 HydrophobicContact CB-CG1 4.12Å; L61-I85 WeakPolarHBondContact O-CG1 3.12Å; L61-I85 PolarHBondContact O-N 2.91Å; R62-I85 WeakPolarHBondContact O-CA 3.1Å; I64-I85 HydrophobicContact CD1-CD1 3.84Å; I64-I85 HydrophobicContact CD1-CG1 4.38Å; I64-I85 HydrophobicContact CG1-CD1 3.76Å; I64-I85 HydrophobicContact CG1-CG1 4.24Å; I64-I85 HydrophobicContact CG1-CG2 4.02Å; L80-I85 HydrophobicContact CB-CD1 3.93Å; N83-I85 HydrophobicContact CB-CD1 4.11Å; N83-I85 HydrophobicContact CB-CG1 3.99Å; I85-L88 HydrophobicContact CG2-CD2 3.83Å; I85-L104 HydrophobicContact CD1-CD2 4.09Å; I85-N107 HydrophobicContact CB-CB 4.13Å; I85-N107 WeakPolarHBondContact CB-OD1 3.44Å; I85-N107 WeakPolarHBondContact CD1-OD1 3.35Å; I85-N107 WeakPolarHBondContact CG1-OD1 3.15Å; I85-N107 PolarHBondContact N-OD1 2.86Å; I85-R108 CarbonylContact O-C 3.52Å; I85-R108 WeakPolarHBondContact O-CA 3.25Å; I85-R108 PolarHBondContact O-N 3.13Å; I85-L109 HydrophobicContact CG2-CD2 3.96Å; I85-L109 PolarHBondContact O-N 2.92Å
86	N	92.5	Very high	93.1	Very high	51 Å²	51	36.1 Å²	36.1	27%	0.273	19%	0.193	S	C	.	.			trans	-122.7	-3.7	178.6	64.2	26.3	0	0	0	113	R62 E84 R108 M111 A112	R62-N86 PolarHBondContact O-N 2.81Å; R62-N86 PolarHBondContact O-OD1 3.34Å; R62-N86 VanDerWaalsContact O-OD1 3.11Å; E84-N86 PolarHBondContact O-N 2.94Å; E84-N86 VanDerWaalsContact O-N 3.12Å; N86-R108 HydrophobicContact CB-CB 4.1Å; N86-M111 HydrophobicContact CB-CB 4.4Å; N86-A112 WeakPolarHBondContact O-CA 3.37Å; N86-A112 WeakPolarHBondContact O-CB 3.44Å; N86-A112 PolarHBondContact O-N 3.28Å
87	F	91.6	Very high	92.9	Very high	57 Å²	57	35 Å²	35	25%	0.25	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.9	177.8	179.7	-94.7	0	0	0	110.8	R62 S63 I64 L65 Q89 L115	R62-F87 PolarHBondContact O-N 3.48Å; S63-F87 VanDerWaalsContact CA-O 3.32Å; S63-F87 WeakPolarHBondContact CA-O 3.12Å; I64-F87 PolarHBondContact N-O 2.86Å; L65-F87 HydrophobicContact CD2-CD1 4.16Å; L65-F87 HydrophobicContact CD2-CE1 3.8Å; F87-Q89 HydrophobicContact CE1-CB 4.13Å; F87-L115 HydrophobicContact CD2-CB 3.8Å; F87-L115 HydrophobicContact CD2-CD1 4.45Å; F87-L115 HydrophobicContact CE2-CB 4.28Å
88	L	91.2	Very high	92.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123	171.2	-63.1	178.1	0	0	0	108	I64 I85 F93 L109 A112 S116 L120 L144	I64-L88 HydrophobicContact CB-CD2 3.77Å; I64-L88 HydrophobicContact CG1-CD2 3.98Å; I85-L88 HydrophobicContact CG2-CD2 3.83Å; L88-F93 HydrophobicContact CD1-CE2 4.4Å; L88-F93 HydrophobicContact CD2-CE2 4.15Å; L88-F93 HydrophobicContact CD2-CZ 4.2Å; L88-L109 HydrophobicContact CD1-CD2 3.7Å; L88-L109 HydrophobicContact CD2-CD2 4.18Å; L88-L109 HydrophobicContact CG-CD2 3.8Å; L88-A112 HydrophobicContact CG-CB 4.49Å; L88-S116 WeakPolarHBondContact O-CB 3.22Å; L88-S116 PolarHBondContact O-OG 3.26Å; L88-L120 HydrophobicContact CD1-CD2 3.95Å; L88-L120 HydrophobicContact CD1-CG 4.43Å; L88-L144 HydrophobicContact CD1-CD1 4.36Å
89	Q	89.9	Confident	92.7	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	21%	0.207	S	C	.	.			trans	-66.9	131.6	170.7	-176.9	178.5	-12.3	0	0	109	I64 L65 F87 G91 A92	I64-Q89 PolarHBondContact O-N 2.87Å; L65-Q89 HydrophobicContact CD2-CB 4.18Å; F87-Q89 HydrophobicContact CE1-CB 4.13Å; Q89-G91 PolarHBondContact O-N 3.15Å; Q89-A92 HydrophobicContact CB-CB 4.36Å; Q89-A92 VanDerWaalsContact O-CB 3.22Å; Q89-A92 WeakPolarHBondContact O-CB 3.33Å; Q89-A92 PolarHBondContact O-N 3.2Å
90	P	85.9	Confident	92.7	Very high	68 Å²	68	38.9 Å²	38.9	44%	0.442	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	126.2	177.1	-27.6	35.9	0	0	0	111.1	A92 A117	P90-A92 VanDerWaalsContact C-N 3.35Å; P90-A117 WeakPolarHBondContact CG-O 3.2Å
91	G	79.7	Confident	92.7	Very high	14 Å²	14	42 Å²	42	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	14	-178	0	0	0	0	0	115.6	Q89 F93 Q94	Q89-G91 PolarHBondContact O-N 3.15Å; G91-F93 PolarHBondContact O-N 3.48Å; G91-F93 VanDerWaalsContact O-N 3.12Å; G91-Q94 WeakPolarHBondContact O-CB 3.4Å; G91-Q94 PolarHBondContact O-N 3.5Å
92	A	89.3	Confident	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33	177.1	0	0	0	0	0	113.4	I64 Q89 P90	I64-A92 HydrophobicContact CG2-CB 4.11Å; Q89-A92 HydrophobicContact CB-CB 4.36Å; Q89-A92 VanDerWaalsContact O-CB 3.22Å; Q89-A92 WeakPolarHBondContact O-CB 3.33Å; Q89-A92 PolarHBondContact O-N 3.2Å; P90-A92 VanDerWaalsContact C-N 3.35Å
93	F	92.5	Very high	92.7	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.026	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.7	179.5	-53.6	-69.2	0	0	0	113.8	I64 L69 L78 L80 L88 G91 A95 L96 L102 L104 L120 L123	I64-F93 HydrophobicContact CG2-CE1 4.16Å; I64-F93 HydrophobicContact CG2-CZ 4.04Å; L69-F93 HydrophobicContact CD2-CD1 3.95Å; L69-F93 HydrophobicContact CD2-CE1 3.85Å; L78-F93 HydrophobicContact CD2-CD1 4.22Å; L78-F93 HydrophobicContact CD2-CE1 3.95Å; L80-F93 HydrophobicContact CD1-CE1 4.11Å; L80-F93 HydrophobicContact CD1-CZ 4.37Å; L88-F93 HydrophobicContact CD1-CE2 4.4Å; L88-F93 HydrophobicContact CD2-CE2 4.15Å; L88-F93 HydrophobicContact CD2-CZ 4.2Å; G91-F93 PolarHBondContact O-N 3.48Å; G91-F93 VanDerWaalsContact O-N 3.12Å; F93-A95 PolarHBondContact O-N 3.19Å; F93-L96 HydrophobicContact CD1-CD1 4.18Å; F93-L96 WeakPolarHBondContact O-CB 3.36Å; F93-L96 PolarHBondContact O-N 2.8Å; F93-L102 HydrophobicContact CD1-CD1 4.33Å; F93-L102 HydrophobicContact CD1-CD2 4.26Å; F93-L102 HydrophobicContact CD2-CD2 4.34Å; F93-L102 HydrophobicContact CE1-CD1 3.94Å; F93-L102 HydrophobicContact CE1-CD2 4.31Å; F93-L102 HydrophobicContact CE2-CD2 4.4Å; F93-L102 HydrophobicContact CG-CD2 4.28Å; F93-L102 HydrophobicContact CZ-CD1 4.4Å; F93-L102 HydrophobicContact CZ-CD2 4.38Å; F93-L104 HydrophobicContact CE2-CD1 4.34Å; F93-L104 HydrophobicContact CZ-CD1 4.2Å; F93-L104 HydrophobicContact CZ-CD2 4.36Å; F93-L120 HydrophobicContact CD2-CD2 4.01Å; F93-L120 HydrophobicContact CE2-CD2 3.73Å; F93-L123 HydrophobicContact CB-CD2 4.01Å
94	Q	87.8	Confident	92.7	Very high	108 Å²	108	39.1 Å²	39.1	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27	-178.5	-71	173.6	19.4	0	0	112.7	G91 L96 P122	G91-Q94 WeakPolarHBondContact O-CB 3.4Å; G91-Q94 PolarHBondContact O-N 3.5Å; Q94-L96 PolarHBondContact O-N 3.28Å; Q94-P122 HydrophobicContact CG-CG 4.48Å
95	A	87.1	Confident	92.8	Very high	40 Å²	40	37 Å²	37	33%	0.331	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.6	174.5	0	0	0	0	0	112.9	F93 T97	F93-A95 PolarHBondContact O-N 3.19Å; A95-T97 PolarHBondContact O-N 3.44Å
96	L	93.6	Very high	92.9	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	22%	0.219	C	C	.	.			trans	-91.2	69.6	-178.3	-50.9	-177.7	0	0	0	110	L69 Y72 L75 L78 F93 Q94 H98 L99	L69-L96 HydrophobicContact CD2-CD1 3.98Å; L69-L96 HydrophobicContact CG-CD1 4.09Å; Y72-L96 WeakPolarHBondContact O-CD2 3.49Å; L75-L96 HydrophobicContact CB-CD2 4.42Å; L75-L96 HydrophobicContact CD1-CD1 4.25Å; L75-L96 HydrophobicContact CD1-CD2 4.13Å; L78-L96 HydrophobicContact CD2-CD1 3.89Å; F93-L96 HydrophobicContact CD1-CD1 4.18Å; F93-L96 WeakPolarHBondContact O-CB 3.36Å; F93-L96 PolarHBondContact O-N 2.8Å; Q94-L96 PolarHBondContact O-N 3.28Å; L96-H98 PolarHBondContact O-N 2.97Å; L96-H98 VanDerWaalsContact O-N 3.09Å; L96-L99 HydrophobicContact CB-CB 3.92Å; L96-L99 HydrophobicContact CB-CD2 4.41Å; L96-L99 HydrophobicContact CD1-CD1 4.41Å; L96-L99 HydrophobicContact CD1-CD2 4.13Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.48Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å
97	T	91.7	Very high	93.1	Very high	82 Å²	82	39.3 Å²	39.3	50%	0.503	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.8	-171.6	53.6	0	0	0	0	114.7	A95 R125	A95-T97 PolarHBondContact O-N 3.44Å; T97-R125 WeakPolarHBondContact O-CG 3.39Å
98	H	95.9	Very high	93.2	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.468	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.2	178	-65.5	-68.3	0	0	0	113.7	L75 R76 L96 E100	L75-H98 CarbonylContact O-C 3.59Å; R76-H98 WeakPolarHBondContact CA-O 3.41Å; R76-H98 HydrophobicContact CG-CB 4.33Å; L96-H98 PolarHBondContact O-N 2.97Å; L96-H98 VanDerWaalsContact O-N 3.09Å; H98-E100 PolarHBondContact O-N 2.81Å
99	L	97	Very high	93.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.219	C	C	.	.			trans	-67.1	122.1	-175.5	-168.2	69.4	0	0	0	111.3	L75 L78 L96 L102 R125 V126	L75-L99 WeakPolarHBondContact O-CA 3.45Å; L75-L99 PolarHBondContact O-N 3.5Å; L78-L99 HydrophobicContact CB-CD1 3.73Å; L96-L99 HydrophobicContact CB-CB 3.92Å; L96-L99 HydrophobicContact CB-CD2 4.41Å; L96-L99 HydrophobicContact CD1-CD1 4.41Å; L96-L99 HydrophobicContact CD1-CD2 4.13Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.48Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L99-L102 HydrophobicContact CD2-CB 4.1Å; L99-L102 HydrophobicContact CD2-CD1 4.42Å; L99-L102 HydrophobicContact CD2-CD2 4.32Å; L99-R125 CarbonylContact O-C 3.39Å; L99-R125 WeakPolarHBondContact O-CB 3.31Å; L99-V126 HydrophobicContact CB-CG2 4.32Å; L99-V126 HydrophobicContact CD2-CG2 4.09Å; L99-V126 HydrophobicContact CG-CG2 4.12Å; L99-V126 WeakPolarHBondContact O-CA 3.46Å; L99-V126 WeakPolarHBondContact O-CG2 3.25Å; L99-V126 PolarHBondContact O-N 2.81Å
100	E	97.8	Very high	93.2	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	21%	0.208	S	C	.	.			trans	-110.7	-35	-178.7	-71.6	169.7	-163.4	0	0	111.4	R76 H98 V126 T127 S128	R76-E100 IonicContact NE-OE1 2.73Å; R76-E100 WeakPolarHBondContact O-CA 3.18Å; R76-E100 PolarHBondContact O-N 2.84Å; H98-E100 PolarHBondContact O-N 2.81Å; E100-V126 CarbonylContact O-C 3.54Å; E100-V126 WeakPolarHBondContact O-CA 3.49Å; E100-T127 PolarHBondContact O-N 3.39Å; E100-T127 PolarHBondContact O-OG1 3.29Å; E100-T127 VanDerWaalsContact O-OG1 3.13Å; E100-S128 PolarHBondContact O-N 2.8Å; E100-S128 VanDerWaalsContact O-N 3.17Å
101	H	98.3	Very high	92.8	Very high	65 Å²	65	42.4 Å²	42.4	30%	0.301	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.6	-178.2	-58.2	-76.9	0	0	0	110.3	R76 H77 L78 S128	R76-H101 PolarHBondContact O-N 2.92Å; H77-H101 HydrophobicContact CB-CB 4.31Å; H77-H101 VanDerWaalsContact CD2-CB 3.44Å; H77-H101 WeakPolarHBondContact CD2-CB 3.44Å; H77-H101 AromaticContact CD2-CG 3.85Å; L78-H101 PolarHBondContact N-O 2.9Å; H101-S128 PolarHBondContact ND1-OG 3.07Å
102	L	97.8	Very high	92.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.7	176.7	177.6	58.6	0	0	0	109.9	L78 F93 L99 L104 L120 L123 V126 S128 L129 D130	L78-L102 HydrophobicContact CB-CD1 4.25Å; L78-L102 HydrophobicContact CD2-CD1 4.02Å; L78-L102 HydrophobicContact CG-CD1 4.16Å; L78-L102 WeakPolarHBondContact O-CA 3.31Å; F93-L102 HydrophobicContact CD1-CD1 4.33Å; F93-L102 HydrophobicContact CD1-CD2 4.26Å; F93-L102 HydrophobicContact CD2-CD2 4.34Å; F93-L102 HydrophobicContact CE1-CD1 3.94Å; F93-L102 HydrophobicContact CE1-CD2 4.31Å; F93-L102 HydrophobicContact CE2-CD2 4.4Å; F93-L102 HydrophobicContact CG-CD2 4.28Å; F93-L102 HydrophobicContact CZ-CD1 4.4Å; F93-L102 HydrophobicContact CZ-CD2 4.38Å; L99-L102 HydrophobicContact CD2-CB 4.1Å; L99-L102 HydrophobicContact CD2-CD1 4.42Å; L99-L102 HydrophobicContact CD2-CD2 4.32Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 HydrophobicContact CD1-CG 4.22Å; L102-L104 HydrophobicContact CD2-CD1 4.08Å; L102-L104 HydrophobicContact CG-CD1 4.22Å; L102-L104 HydrophobicContact CG-CG 4.32Å; L102-L120 HydrophobicContact CD2-CD2 4.41Å; L102-L123 HydrophobicContact CD2-CD1 4.41Å; L102-V126 HydrophobicContact CB-CG1 4.48Å; L102-S128 PolarHBondContact N-O 3.18Å; L102-S128 VanDerWaalsContact N-O 3.07Å; L102-L129 HydrophobicContact CB-CD1 4.05Å; L102-L129 HydrophobicContact CD2-CD1 3.93Å; L102-L129 HydrophobicContact CG-CD1 3.98Å; L102-L129 WeakPolarHBondContact O-CA 3.45Å; L102-D130 PolarHBondContact O-N 3.13Å
103	S	98.3	Very high	91.6	Very high	16 Å²	16	43 Å²	43	11%	0.112	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.4	169.4	-175.5	0	0	0	0	111.2	L78 L80 A105	L78-S103 PolarHBondContact O-N 3.39Å; L80-S103 WeakPolarHBondContact CA-O 3.17Å; L80-S103 WeakPolarHBondContact CB-O 3.19Å; L80-S103 PolarHBondContact N-O 3.02Å; S103-A105 PolarHBondContact OG-N 3.08Å
104	L	97.3	Very high	90.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.			trans	-124.1	21.7	171.8	-71.9	162.9	0	0	0	110.3	L80 I85 F93 L102 N107 L109 L120 D130 L131 N134	L80-L104 HydrophobicContact CB-CD2 3.88Å; L80-L104 HydrophobicContact CD1-CD2 3.87Å; I85-L104 HydrophobicContact CD1-CD2 4.09Å; F93-L104 HydrophobicContact CE2-CD1 4.34Å; F93-L104 HydrophobicContact CZ-CD1 4.2Å; F93-L104 HydrophobicContact CZ-CD2 4.36Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 HydrophobicContact CD1-CG 4.22Å; L102-L104 HydrophobicContact CD2-CD1 4.08Å; L102-L104 HydrophobicContact CG-CD1 4.22Å; L102-L104 HydrophobicContact CG-CG 4.32Å; L104-N107 PolarHBondContact O-ND2 2.87Å; L104-L109 HydrophobicContact CB-CD1 3.93Å; L104-L109 HydrophobicContact CD1-CD1 4.12Å; L104-L109 HydrophobicContact CG-CD1 4.5Å; L104-L120 HydrophobicContact CD1-CD2 3.65Å; L104-D130 CarbonylContact C-O 3.39Å; L104-D130 PolarHBondContact N-O 3.09Å; L104-L131 HydrophobicContact CB-CD2 4.02Å; L104-L131 HydrophobicContact CD1-CD2 4.06Å; L104-N134 PolarHBondContact O-ND2 3.3Å
105	A	98.2	Very high	89.7	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.033	25%	0.252	C	S	.	.			trans	-56.2	149.1	-179	0	0	0	0	0	112.7	S81 A82 S103 N107 D130 S132	S81-A105 CarbonylContact C-O 3.52Å; S81-A105 WeakPolarHBondContact CA-O 3.29Å; A82-A105 PolarHBondContact N-O 2.95Å; S103-A105 PolarHBondContact OG-N 3.08Å; A105-N107 PolarHBondContact O-N 2.92Å; A105-N107 PolarHBondContact O-ND2 2.88Å; A105-N107 VanDerWaalsContact O-ND2 3.13Å; A105-D130 PolarHBondContact N-O 2.63Å; A105-S132 CarbonylContact C-O 3.16Å; A105-S132 VanDerWaalsContact CA-O 3.25Å; A105-S132 WeakPolarHBondContact CA-O 3.45Å; A105-S132 VanDerWaalsContact CB-OG 3.27Å; A105-S132 WeakPolarHBondContact CB-OG 3.29Å
106	H	97.9	Very high	88.7	Confident	92 Å²	92	45.5 Å²	45.5	43%	0.426	24%	0.24	S	C	.	.	S	Bend	trans	50.7	54.8	177	-56.9	-71.3	0	0	0	113.2	A82 N83 S132 G133 E158	A82-H106 WeakPolarHBondContact CA-O 3.43Å; N83-H106 PolarHBondContact N-O 3.06Å; H106-S132 PolarHBondContact N-O 2.98Å; H106-G133 WeakPolarHBondContact CA-O 3.41Å; H106-E158 IonicContact CE1-OE2 3.78Å; H106-E158 PolarHBondContact CE1-OE2 3.17Å; H106-E158 VanDerWaalsContact CE1-OE2 3.3Å
107	N	96.8	Very high	87.6	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	27%	0.274	C	S	.	.	S	Bend	trans	-121.6	-166.5	172.8	-83.3	-75.3	0	0	0	110.1	L80 N83 I85 L104 A105 L109 N134	L80-N107 PolarHBondContact O-ND2 3.31Å; N83-N107 WeakPolarHBondContact CA-OD1 3.16Å; N83-N107 WeakPolarHBondContact CB-OD1 3.38Å; N83-N107 PolarHBondContact O-OD1 2.85Å; I85-N107 HydrophobicContact CB-CB 4.13Å; I85-N107 WeakPolarHBondContact CB-OD1 3.44Å; I85-N107 WeakPolarHBondContact CD1-OD1 3.35Å; I85-N107 WeakPolarHBondContact CG1-OD1 3.15Å; I85-N107 PolarHBondContact N-OD1 2.86Å; L104-N107 PolarHBondContact O-ND2 2.87Å; A105-N107 PolarHBondContact O-N 2.92Å; A105-N107 PolarHBondContact O-ND2 2.88Å; A105-N107 VanDerWaalsContact O-ND2 3.13Å; N107-L109 HydrophobicContact CB-CG 4.29Å; N107-N134 WeakPolarHBondContact CA-OD1 3.32Å; N107-N134 WeakPolarHBondContact CB-OD1 3.16Å; N107-N134 PolarHBondContact N-OD1 2.62Å; N107-N134 PolarHBondContact O-OD1 3.35Å
108	R	94.3	Very high	86.7	Confident	130 Å²	130	48.2 Å²	48.2	49%	0.491	28%	0.278	S	S	.	.			trans	-118.7	41	-179	-60.5	-176.3	-172.7	158.5	12.1	111.4	E84 I85 N86 A110 M111	E84-R108 IonicContact OE1-NH2 3.49Å; E84-R108 PolarHBondContact OE1-NH2 3.12Å; I85-R108 CarbonylContact O-C 3.52Å; I85-R108 WeakPolarHBondContact O-CA 3.25Å; I85-R108 PolarHBondContact O-N 3.13Å; N86-R108 HydrophobicContact CB-CB 4.1Å; R108-A110 PolarHBondContact O-N 2.98Å; R108-A110 VanDerWaalsContact O-N 3.15Å; R108-M111 PolarHBondContact O-N 2.82Å
109	L	92.2	Very high	86.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.7	-14.4	-173.7	-66.5	-179.2	0	0	0	114.3	I85 L88 L104 N107 M111 A112 L131 N134 L136 L144	I85-L109 HydrophobicContact CG2-CD2 3.96Å; I85-L109 PolarHBondContact O-N 2.92Å; L88-L109 HydrophobicContact CD1-CD2 3.7Å; L88-L109 HydrophobicContact CD2-CD2 4.18Å; L88-L109 HydrophobicContact CG-CD2 3.8Å; L104-L109 HydrophobicContact CB-CD1 3.93Å; L104-L109 HydrophobicContact CD1-CD1 4.12Å; L104-L109 HydrophobicContact CG-CD1 4.5Å; N107-L109 HydrophobicContact CB-CG 4.29Å; L109-M111 PolarHBondContact O-N 2.87Å; L109-M111 VanDerWaalsContact O-N 3.09Å; L109-A112 HydrophobicContact CD2-CB 4.08Å; L109-A112 WeakPolarHBondContact O-CB 3.48Å; L109-A112 PolarHBondContact O-N 3.4Å; L109-L131 HydrophobicContact CD1-CD2 3.86Å; L109-N134 HydrophobicContact CB-CB 4.14Å; L109-N134 VanDerWaalsContact CB-OD1 3.31Å; L109-N134 WeakPolarHBondContact CB-OD1 3.4Å; L109-N134 WeakPolarHBondContact CG-OD1 3.46Å; L109-N134 PolarHBondContact N-OD1 2.93Å; L109-L136 HydrophobicContact CB-CD2 4.34Å; L109-L144 HydrophobicContact CB-CD2 4.27Å; L109-L144 HydrophobicContact CD1-CD2 4.43Å
110	A	87.9	Confident	85.5	Confident	15 Å²	15	43.6 Å²	43.6	12%	0.124	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-51.9	-31.2	170	0	0	0	0	0	113.5	R108 N134 S135 L140	R108-A110 PolarHBondContact O-N 2.98Å; R108-A110 VanDerWaalsContact O-N 3.15Å; A110-N134 WeakPolarHBondContact CB-O 3.35Å; A110-N134 PolarHBondContact N-O 3.2Å; A110-S135 VanDerWaalsContact CB-O 3.31Å; A110-S135 WeakPolarHBondContact CB-O 3.27Å; A110-L140 VanDerWaalsContact CA-CD2 3.45Å; A110-L140 HydrophobicContact CB-CD2 4.17Å; A110-L140 VanDerWaalsContact O-CD2 3.24Å; A110-L140 WeakPolarHBondContact O-CD2 3.41Å
111	M	78.6	Confident	85	Confident	120 Å²	120	40.5 Å²	40.5	59%	0.591	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-87.8	-16.3	179.3	-61.2	-65.7	154.9	0	0	113.2	N86 R108 L109 T113 A114 L115	N86-M111 HydrophobicContact CB-CB 4.4Å; R108-M111 PolarHBondContact O-N 2.82Å; L109-M111 PolarHBondContact O-N 2.87Å; L109-M111 VanDerWaalsContact O-N 3.09Å; M111-T113 PolarHBondContact O-N 2.97Å; M111-A114 PolarHBondContact O-N 2.95Å; M111-L115 WeakPolarHBondContact O-CG 3.35Å; M111-L115 PolarHBondContact O-N 3.36Å
112	A	74.6	Confident	84.6	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-36.8	-169.6	0	0	0	0	0	113.3	N86 L88 L109 A114 L115 S116	N86-A112 WeakPolarHBondContact O-CA 3.37Å; N86-A112 WeakPolarHBondContact O-CB 3.44Å; N86-A112 PolarHBondContact O-N 3.28Å; L88-A112 HydrophobicContact CG-CB 4.49Å; L109-A112 HydrophobicContact CD2-CB 4.08Å; L109-A112 WeakPolarHBondContact O-CB 3.48Å; L109-A112 PolarHBondContact O-N 3.4Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 2.85Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.1Å
113	T	69.1	Low	84.3	Confident	27 Å²	27	40.4 Å²	40.4	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-72.8	-22	178.4	50.3	0	0	0	0	113.3	M111 L115 L140 R143 L144	M111-T113 PolarHBondContact O-N 2.97Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L140 HydrophobicContact CG2-CD1 4.12Å; T113-L140 HydrophobicContact CG2-CG 4.13Å; T113-L140 WeakPolarHBondContact OG1-CD1 3.5Å; T113-L140 WeakPolarHBondContact OG1-CG 3.04Å; T113-R143 HydrophobicContact CG2-CB 4.44Å; T113-L144 HydrophobicContact CG2-CB 3.88Å; T113-L144 HydrophobicContact CG2-CD1 4.09Å
114	A	70.8	Confident	83.9	Confident	87 Å²	87	43.3 Å²	43.3	72%	0.719	27%	0.27	S	S	*	.	H	α-helix	trans	-75	-26.4	170.8	0	0	0	0	0	111.7	M111 A112	M111-A114 PolarHBondContact O-N 2.95Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 3.45Å
115	L	68.3	Low	83.8	Confident	105 Å²	105	51.2 Å²	51.2	55%	0.55	30%	0.299	S	S	.	.	H	α-helix	trans	-98.9	-17.5	-174.1	-62.2	171.4	0	0	0	113.6	F87 M111 A112 T113	F87-L115 HydrophobicContact CD2-CB 3.8Å; F87-L115 HydrophobicContact CD2-CD1 4.45Å; F87-L115 HydrophobicContact CE2-CB 4.28Å; M111-L115 WeakPolarHBondContact O-CG 3.35Å; M111-L115 PolarHBondContact O-N 3.36Å; A112-L115 PolarHBondContact O-N 2.85Å; T113-L115 VanDerWaalsContact C-N 3.31Å
116	S	67.1	Low	83.8	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.098	30%	0.299	C	S	.	.			trans	-143.1	134.1	-175.9	64.5	0	0	0	0	111.7	L88 A112	L88-S116 WeakPolarHBondContact O-CB 3.22Å; L88-S116 PolarHBondContact O-OG 3.26Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.1Å
117	A	69.7	Low	83.8	Confident	89 Å²	89	48.7 Å²	48.7	74%	0.736	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	128.1	172.7	0	0	0	0	0	109.6	P90	P90-A117 WeakPolarHBondContact CG-O 3.2Å
118	G	72.6	Confident	83.9	Confident	58 Å²	58	49.9 Å²	49.9	60%	0.598	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.9	-1.1	171.2	0	0	0	0	0	117	G121	G118-G121 PolarHBondContact O-N 3.23Å
119	G	82.9	Confident	84	Confident	4 Å²	4	43.9 Å²	43.9	4%	0.041	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-139.5	171.2	0	0	0	0	0	113.9	G121	G119-G121 VanDerWaalsContact C-N 3.28Å; G119-G121 PolarHBondContact O-N 2.96Å
120	L	85.8	Confident	84.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24	177.1	-75.3	156.6	0	0	0	113.1	L88 F93 L102 L104 L129 L131 L144	L88-L120 HydrophobicContact CD1-CD2 3.95Å; L88-L120 HydrophobicContact CD1-CG 4.43Å; F93-L120 HydrophobicContact CD2-CD2 4.01Å; F93-L120 HydrophobicContact CE2-CD2 3.73Å; L102-L120 HydrophobicContact CD2-CD2 4.41Å; L104-L120 HydrophobicContact CD1-CD2 3.65Å; L120-L129 HydrophobicContact CD1-CD2 4.33Å; L120-L131 HydrophobicContact CD1-CD1 4.03Å; L120-L131 HydrophobicContact CD1-CD2 4.16Å; L120-L144 WeakPolarHBondContact CB-O 3.41Å; L120-L144 HydrophobicContact CD1-CD1 4.4Å; L120-L144 HydrophobicContact CD1-CG 4.09Å; L120-L144 HydrophobicContact CG-CD1 4.12Å; L120-L144 HydrophobicContact CG-CG 4.34Å; L120-L144 PolarHBondContact N-O 2.78Å
121	G	85.9	Confident	84.8	Confident	11 Å²	11	45.4 Å²	45.4	11%	0.113	28%	0.283	C	S	.	.			trans	71.9	-176.8	-167.2	0	0	0	0	0	113	G118 G119	G118-G121 PolarHBondContact O-N 3.23Å; G119-G121 VanDerWaalsContact C-N 3.28Å; G119-G121 PolarHBondContact O-N 2.96Å
122	P	89.6	Confident	85.7	Confident	58 Å²	58	40.3 Å²	40.3	38%	0.377	26%	0.259	S	S	.	.			trans	-69.5	137.2	179.8	28	-34.3	0	0	0	111.7	Q94 P124 E147	Q94-P122 HydrophobicContact CG-CG 4.48Å; P122-P124 WeakPolarHBondContact O-CD 3.41Å; P122-E147 CarbonylContact C-O 3.18Å; P122-E147 WeakPolarHBondContact CA-O 3.14Å; P122-E147 HydrophobicContact CB-CB 4.48Å
123	L	92.1	Very high	86.8	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.042	27%	0.265	C	S	.	.			trans	-121.4	76.3	-179.7	-64.5	178.2	0	0	0	109.7	F93 L102 R125 V126 L129 E147 A148	F93-L123 HydrophobicContact CB-CD2 4.01Å; L102-L123 HydrophobicContact CD2-CD1 4.41Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.95Å; L123-V126 HydrophobicContact CB-CB 3.95Å; L123-V126 HydrophobicContact CB-CG2 3.77Å; L123-V126 HydrophobicContact CD1-CG2 4.28Å; L123-V126 HydrophobicContact CD2-CG2 4.09Å; L123-V126 HydrophobicContact CG-CG2 4.26Å; L123-L129 HydrophobicContact CD1-CD1 4.49Å; L123-L129 HydrophobicContact CD1-CD2 4.14Å; L123-E147 PolarHBondContact N-O 3.09Å; L123-A148 HydrophobicContact CB-CB 4.3Å
124	P	90.6	Very high	88.1	Confident	77 Å²	77	39.6 Å²	39.6	50%	0.5	26%	0.257	S	S	.	.	S	Bend	trans	-69.2	-25.1	-165.9	26.5	-35.7	0	0	0	114.6	P122 S150	P122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-S150 WeakPolarHBondContact O-CB 3.31Å; P124-S150 PolarHBondContact O-OG 3.09Å
125	R	95.7	Very high	89.2	Confident	165 Å²	165	39 Å²	39	62%	0.623	25%	0.248	S	C	*	.	S	Bend	trans	-113.2	-8.5	-176.1	-68.3	-65.8	-174.8	162.9	-2.2	114.2	T97 L99 L123 T127	T97-R125 WeakPolarHBondContact O-CG 3.39Å; L99-R125 CarbonylContact O-C 3.39Å; L99-R125 WeakPolarHBondContact O-CB 3.31Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.95Å; R125-T127 PolarHBondContact O-N 3.3Å
126	V	97	Very high	90.4	Very high	3 Å²	3	34 Å²	34	2%	0.018	22%	0.222	C	C	.	.			trans	-68.5	124.9	-177.9	178.3	0	0	0	0	108.7	L99 E100 L102 L123 S128 L129 S150 L151	L99-V126 HydrophobicContact CB-CG2 4.32Å; L99-V126 HydrophobicContact CD2-CG2 4.09Å; L99-V126 HydrophobicContact CG-CG2 4.12Å; L99-V126 WeakPolarHBondContact O-CA 3.46Å; L99-V126 WeakPolarHBondContact O-CG2 3.25Å; L99-V126 PolarHBondContact O-N 2.81Å; E100-V126 CarbonylContact O-C 3.54Å; E100-V126 WeakPolarHBondContact O-CA 3.49Å; L102-V126 HydrophobicContact CB-CG1 4.48Å; L123-V126 HydrophobicContact CB-CB 3.95Å; L123-V126 HydrophobicContact CB-CG2 3.77Å; L123-V126 HydrophobicContact CD1-CG2 4.28Å; L123-V126 HydrophobicContact CD2-CG2 4.09Å; L123-V126 HydrophobicContact CG-CG2 4.26Å; V126-S128 VanDerWaalsContact CG1-O 3.29Å; V126-S128 WeakPolarHBondContact CG1-O 3.42Å; V126-L129 HydrophobicContact CG1-CB 4.3Å; V126-S150 CarbonylContact O-C 3.46Å; V126-S150 VanDerWaalsContact O-C 3.25Å; V126-L151 HydrophobicContact CG1-CD1 3.93Å; V126-L151 WeakPolarHBondContact O-CA 3.46Å; V126-L151 PolarHBondContact O-N 3.23Å
127	T	98	Very high	91.5	Very high	40 Å²	40	39.1 Å²	39.1	25%	0.245	24%	0.24	C	C	.	.	S	Bend	trans	-102.6	-29.9	178.9	64.3	0	0	0	0	111.8	E100 R125 S150 H152 T153	E100-T127 PolarHBondContact O-N 3.39Å; E100-T127 PolarHBondContact O-OG1 3.29Å; E100-T127 VanDerWaalsContact O-OG1 3.13Å; R125-T127 PolarHBondContact O-N 3.3Å; T127-S150 WeakPolarHBondContact CA-O 3.24Å; T127-H152 PolarHBondContact O-N 3.29Å; T127-T153 PolarHBondContact O-N 2.71Å
128	S	98.4	Very high	92.3	Very high	32 Å²	32	36.1 Å²	36.1	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.5	171.5	77.9	0	0	0	0	112	E100 H101 L102 V126 T153	E100-S128 PolarHBondContact O-N 2.8Å; E100-S128 VanDerWaalsContact O-N 3.17Å; H101-S128 PolarHBondContact ND1-OG 3.07Å; L102-S128 PolarHBondContact N-O 3.18Å; L102-S128 VanDerWaalsContact N-O 3.07Å; V126-S128 VanDerWaalsContact CG1-O 3.29Å; V126-S128 WeakPolarHBondContact CG1-O 3.42Å; S128-T153 WeakPolarHBondContact CA-O 2.81Å
129	L	97.9	Very high	92.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.9	177.4	178.9	60	0	0	0	109.8	L102 L120 L123 V126 L131 L145 L151 T153 L154 S155	L102-L129 HydrophobicContact CB-CD1 4.05Å; L102-L129 HydrophobicContact CD2-CD1 3.93Å; L102-L129 HydrophobicContact CG-CD1 3.98Å; L102-L129 WeakPolarHBondContact O-CA 3.45Å; L120-L129 HydrophobicContact CD1-CD2 4.33Å; L123-L129 HydrophobicContact CD1-CD1 4.49Å; L123-L129 HydrophobicContact CD1-CD2 4.14Å; V126-L129 HydrophobicContact CG1-CB 4.3Å; L129-L131 HydrophobicContact CD1-CD2 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.18Å; L129-L131 HydrophobicContact CD2-CD1 3.92Å; L129-L131 HydrophobicContact CD2-CG 4.29Å; L129-L131 HydrophobicContact CG-CD1 4.17Å; L129-L131 HydrophobicContact CG-CG 3.99Å; L129-L145 HydrophobicContact CD2-CD2 4.31Å; L129-L151 HydrophobicContact CB-CD1 3.61Å; L129-L151 HydrophobicContact CB-CD2 4.3Å; L129-T153 PolarHBondContact N-O 2.74Å; L129-L154 HydrophobicContact CB-CD1 4.14Å; L129-L154 HydrophobicContact CD2-CD1 4.08Å; L129-L154 HydrophobicContact CG-CD1 4.1Å; L129-L154 WeakPolarHBondContact O-CA 3.16Å; L129-S155 PolarHBondContact O-N 3.17Å
130	D	98.5	Very high	92.8	Very high	47 Å²	47	34.8 Å²	34.8	25%	0.251	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.6	175.8	-173.1	-4.7	0	0	0	110.3	L102 L104 A105 S132	L102-D130 PolarHBondContact O-N 3.13Å; L104-D130 CarbonylContact C-O 3.39Å; L104-D130 PolarHBondContact N-O 3.09Å; A105-D130 PolarHBondContact N-O 2.63Å; D130-S132 VanDerWaalsContact OD1-CB 3.24Å; D130-S132 WeakPolarHBondContact OD1-CB 3.44Å; D130-S132 PolarHBondContact OD1-N 3.26Å; D130-S132 PolarHBondContact OD1-OG 3.5Å
131	L	97.3	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.			trans	-120.7	20.9	178	-66.6	173.3	0	0	0	111	L104 L109 L120 L129 N134 L136 L145 S155 L156 N159	L104-L131 HydrophobicContact CB-CD2 4.02Å; L104-L131 HydrophobicContact CD1-CD2 4.06Å; L109-L131 HydrophobicContact CD1-CD2 3.86Å; L120-L131 HydrophobicContact CD1-CD1 4.03Å; L120-L131 HydrophobicContact CD1-CD2 4.16Å; L129-L131 HydrophobicContact CD1-CD2 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.18Å; L129-L131 HydrophobicContact CD2-CD1 3.92Å; L129-L131 HydrophobicContact CD2-CG 4.29Å; L129-L131 HydrophobicContact CG-CD1 4.17Å; L129-L131 HydrophobicContact CG-CG 3.99Å; L131-N134 PolarHBondContact O-ND2 2.66Å; L131-N134 VanDerWaalsContact O-ND2 3.1Å; L131-L136 HydrophobicContact CB-CD1 4.29Å; L131-L145 HydrophobicContact CD1-CD2 3.76Å; L131-S155 CarbonylContact C-O 3.11Å; L131-S155 WeakPolarHBondContact CA-O 3.42Å; L131-S155 PolarHBondContact N-O 3.3Å; L131-L156 HydrophobicContact CB-CD2 3.84Å; L131-L156 HydrophobicContact CD1-CD2 4.08Å; L131-N159 PolarHBondContact O-ND2 2.98Å
132	S	98.1	Very high	92.7	Very high	12 Å²	12	37 Å²	37	8%	0.084	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	153.9	179.9	59.4	0	0	0	0	112.6	A105 H106 D130 N134 A157	A105-S132 CarbonylContact C-O 3.16Å; A105-S132 VanDerWaalsContact CA-O 3.25Å; A105-S132 WeakPolarHBondContact CA-O 3.45Å; A105-S132 VanDerWaalsContact CB-OG 3.27Å; A105-S132 WeakPolarHBondContact CB-OG 3.29Å; H106-S132 PolarHBondContact N-O 2.98Å; D130-S132 VanDerWaalsContact OD1-CB 3.24Å; D130-S132 WeakPolarHBondContact OD1-CB 3.44Å; D130-S132 PolarHBondContact OD1-N 3.26Å; D130-S132 PolarHBondContact OD1-OG 3.5Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 2.72Å; S132-N134 PolarHBondContact O-ND2 3.22Å; S132-A157 CarbonylContact C-O 3.57Å; S132-A157 WeakPolarHBondContact CA-O 3.47Å; S132-A157 VanDerWaalsContact CB-O 3.27Å; S132-A157 WeakPolarHBondContact CB-O 3.35Å
133	G	97.3	Very high	92.4	Very high	14 Å²	14	42.4 Å²	42.4	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	29.6	171.7	0	0	0	0	0	115.1	H106 A157 E158	H106-G133 WeakPolarHBondContact CA-O 3.41Å; G133-A157 PolarHBondContact N-O 3.03Å; G133-E158 VanDerWaalsContact CA-O 3.26Å; G133-E158 WeakPolarHBondContact CA-O 3.48Å; G133-E158 PolarHBondContact N-O 3.2Å
134	N	96.2	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-105.9	5.4	-175.6	-88.5	-75	0	0	0	114.5	L104 N107 L109 A110 L131 S132 L136 N159	L104-N134 PolarHBondContact O-ND2 3.3Å; N107-N134 WeakPolarHBondContact CA-OD1 3.32Å; N107-N134 WeakPolarHBondContact CB-OD1 3.16Å; N107-N134 PolarHBondContact N-OD1 2.62Å; N107-N134 PolarHBondContact O-OD1 3.35Å; L109-N134 HydrophobicContact CB-CB 4.14Å; L109-N134 VanDerWaalsContact CB-OD1 3.31Å; L109-N134 WeakPolarHBondContact CB-OD1 3.4Å; L109-N134 WeakPolarHBondContact CG-OD1 3.46Å; L109-N134 PolarHBondContact N-OD1 2.93Å; A110-N134 WeakPolarHBondContact CB-O 3.35Å; A110-N134 PolarHBondContact N-O 3.2Å; L131-N134 PolarHBondContact O-ND2 2.66Å; L131-N134 VanDerWaalsContact O-ND2 3.1Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 2.72Å; S132-N134 PolarHBondContact O-ND2 3.22Å; N134-L136 HydrophobicContact CB-CD1 4.23Å; N134-L136 HydrophobicContact CB-CD2 4.17Å; N134-L136 HydrophobicContact CB-CG 3.78Å; N134-L136 PolarHBondContact O-N 3.31Å; N134-N159 WeakPolarHBondContact CA-OD1 3.47Å; N134-N159 PolarHBondContact N-OD1 2.94Å
135	S	94.5	Very high	91.9	Very high	75 Å²	75	39.7 Å²	39.7	52%	0.524	20%	0.2	S	C	.	.			trans	54.1	32.6	-174.6	-49.5	0	0	0	0	113.2	A110 N159	A110-S135 VanDerWaalsContact CB-O 3.31Å; A110-S135 WeakPolarHBondContact CB-O 3.27Å; S135-N159 PolarHBondContact N-OD1 3.45Å
136	L	93.3	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.			trans	-66.7	143.1	178.4	-59	175.2	0	0	0	110.5	L109 L131 N134 L140 L141 L144 L156 N159 S160 L161	L109-L136 HydrophobicContact CB-CD2 4.34Å; L131-L136 HydrophobicContact CB-CD1 4.29Å; N134-L136 HydrophobicContact CB-CD1 4.23Å; N134-L136 HydrophobicContact CB-CD2 4.17Å; N134-L136 HydrophobicContact CB-CG 3.78Å; N134-L136 PolarHBondContact O-N 3.31Å; L136-L140 HydrophobicContact CD2-CD2 4.07Å; L136-L141 HydrophobicContact CD1-CD1 4.12Å; L136-L144 HydrophobicContact CD1-CD2 4.08Å; L136-L144 HydrophobicContact CD2-CD2 3.64Å; L136-L156 HydrophobicContact CD1-CD2 4.14Å; L136-N159 HydrophobicContact CB-CB 4.1Å; L136-N159 WeakPolarHBondContact CB-OD1 3.44Å; L136-N159 WeakPolarHBondContact CG-OD1 3.47Å; L136-N159 PolarHBondContact N-OD1 3.47Å; L136-S160 CarbonylContact O-C 3.59Å; L136-S160 VanDerWaalsContact O-CA 3.26Å; L136-S160 WeakPolarHBondContact O-CA 3.27Å; L136-S160 PolarHBondContact O-N 2.94Å; L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 PolarHBondContact O-N 2.89Å
137	Y	90	Very high	90.9	Very high	120 Å²	120	38.9 Å²	38.9	47%	0.471	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-125.1	161.8	176.5	64	-90.4	0	0	0	111.2	G139 L140 L141	Y137-G139 PolarHBondContact O-N 3.42Å; Y137-L140 HydrophobicContact CD1-CB 4.09Å; Y137-L140 HydrophobicContact CD1-CD2 4.02Å; Y137-L140 HydrophobicContact CD2-CB 4.13Å; Y137-L140 HydrophobicContact CE1-CB 3.94Å; Y137-L140 HydrophobicContact CE1-CD1 4.01Å; Y137-L140 HydrophobicContact CE1-CD2 3.69Å; Y137-L140 HydrophobicContact CE1-CG 4.08Å; Y137-L140 HydrophobicContact CE2-CB 3.97Å; Y137-L140 HydrophobicContact CE2-CD1 4.48Å; Y137-L140 HydrophobicContact CG-CB 4.19Å; Y137-L140 WeakPolarHBondContact O-CB 3.24Å; Y137-L140 PolarHBondContact O-N 3.02Å; Y137-L141 PolarHBondContact O-N 3.06Å
138	S	85.9	Confident	90.7	Very high	27 Å²	27	37.1 Å²	37.1	19%	0.189	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	134.3	-178.1	-44.2	0	0	0	0	111.8	L140 T162 R163	S138-L140 PolarHBondContact O-N 2.89Å; S138-T162 PolarHBondContact OG-N 3.32Å; S138-T162 PolarHBondContact OG-OG1 3.46Å; S138-R163 PolarHBondContact OG-N 2.92Å
139	G	82.1	Confident	90.5	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-23.5	-173.6	0	0	0	0	0	113.8	Y137 E142 R143	Y137-G139 PolarHBondContact O-N 3.42Å; G139-E142 VanDerWaalsContact C-OE2 3.32Å; G139-E142 WeakPolarHBondContact CA-OE2 3.42Å; G139-E142 PolarHBondContact N-OE2 2.93Å; G139-R143 WeakPolarHBondContact O-CG 3.35Å; G139-R143 PolarHBondContact O-NE 3.22Å
140	L	84.6	Confident	90.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-42.4	170.9	-159.8	73.2	0	0	0	111.5	A110 T113 L136 Y137 S138 E142 R143 L144	A110-L140 VanDerWaalsContact CA-CD2 3.45Å; A110-L140 HydrophobicContact CB-CD2 4.17Å; A110-L140 VanDerWaalsContact O-CD2 3.24Å; A110-L140 WeakPolarHBondContact O-CD2 3.41Å; T113-L140 HydrophobicContact CG2-CD1 4.12Å; T113-L140 HydrophobicContact CG2-CG 4.13Å; T113-L140 WeakPolarHBondContact OG1-CD1 3.5Å; T113-L140 WeakPolarHBondContact OG1-CG 3.04Å; L136-L140 HydrophobicContact CD2-CD2 4.07Å; Y137-L140 HydrophobicContact CD1-CB 4.09Å; Y137-L140 HydrophobicContact CD1-CD2 4.02Å; Y137-L140 HydrophobicContact CD2-CB 4.13Å; Y137-L140 HydrophobicContact CE1-CB 3.94Å; Y137-L140 HydrophobicContact CE1-CD1 4.01Å; Y137-L140 HydrophobicContact CE1-CD2 3.69Å; Y137-L140 HydrophobicContact CE1-CG 4.08Å; Y137-L140 HydrophobicContact CE2-CB 3.97Å; Y137-L140 HydrophobicContact CE2-CD1 4.48Å; Y137-L140 HydrophobicContact CG-CB 4.19Å; Y137-L140 WeakPolarHBondContact O-CB 3.24Å; Y137-L140 PolarHBondContact O-N 3.02Å; S138-L140 PolarHBondContact O-N 2.89Å; L140-E142 VanDerWaalsContact C-N 3.27Å; L140-E142 PolarHBondContact O-N 3.04Å; L140-R143 WeakPolarHBondContact O-CB 3.26Å; L140-R143 PolarHBondContact O-N 3.18Å; L140-L144 PolarHBondContact O-N 3.01Å
141	L	85.5	Confident	90.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-53.7	-47.7	-180	177.7	63.5	0	0	0	110.9	L136 Y137 R143 L144 L145 L156 L161 T168	L136-L141 HydrophobicContact CD1-CD1 4.12Å; Y137-L141 PolarHBondContact O-N 3.06Å; L141-R143 PolarHBondContact O-N 2.85Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-L144 VanDerWaalsContact O-N 3.09Å; L141-L145 HydrophobicContact CD1-CD1 3.6Å; L141-L145 HydrophobicContact CD1-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CG 3.75Å; L141-L145 HydrophobicContact CD2-CD1 4.36Å; L141-L145 HydrophobicContact CG-CD1 3.7Å; L141-L145 HydrophobicContact CG-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CB 3.17Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.38Å; L141-L156 HydrophobicContact CD1-CD1 3.91Å; L141-L156 HydrophobicContact CD1-CD2 3.46Å; L141-L156 VanDerWaalsContact CD1-CD2 3.46Å; L141-L156 HydrophobicContact CD1-CG 4.35Å; L141-L156 HydrophobicContact CD2-CD1 3.68Å; L141-L156 HydrophobicContact CG-CD1 4.41Å; L141-L161 HydrophobicContact CB-CD2 4.14Å; L141-L161 HydrophobicContact CD2-CD1 3.95Å; L141-L161 HydrophobicContact CD2-CD2 3.95Å; L141-T168 HydrophobicContact CD2-CG2 3.69Å
142	E	84.4	Confident	90.5	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-23.5	179.2	-64.3	86	169.7	0	0	113.3	G139 L140 T168	G139-E142 VanDerWaalsContact C-OE2 3.32Å; G139-E142 WeakPolarHBondContact CA-OE2 3.42Å; G139-E142 PolarHBondContact N-OE2 2.93Å; L140-E142 VanDerWaalsContact C-N 3.27Å; L140-E142 PolarHBondContact O-N 3.04Å; E142-T168 PolarHBondContact OE1-OG1 3Å
143	R	82.9	Confident	90.5	Very high	172 Å²	172	43.5 Å²	43.5	65%	0.649	24%	0.237	S	C	*	.	H	α-helix	trans	-88.1	-27.1	175.1	-63.2	176.3	-166.9	164.7	4.6	112.6	T113 G139 L140 L141	T113-R143 HydrophobicContact CG2-CB 4.44Å; G139-R143 WeakPolarHBondContact O-CG 3.35Å; G139-R143 PolarHBondContact O-NE 3.22Å; L140-R143 WeakPolarHBondContact O-CB 3.26Å; L140-R143 PolarHBondContact O-N 3.18Å; L141-R143 PolarHBondContact O-N 2.85Å
144	L	86	Confident	90.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-82.2	-44.5	-179.7	-178.9	63.6	0	0	0	110.9	L88 L109 T113 L120 L136 L140 L141	L88-L144 HydrophobicContact CD1-CD1 4.36Å; L109-L144 HydrophobicContact CB-CD2 4.27Å; L109-L144 HydrophobicContact CD1-CD2 4.43Å; T113-L144 HydrophobicContact CG2-CB 3.88Å; T113-L144 HydrophobicContact CG2-CD1 4.09Å; L120-L144 WeakPolarHBondContact CB-O 3.41Å; L120-L144 HydrophobicContact CD1-CD1 4.4Å; L120-L144 HydrophobicContact CD1-CG 4.09Å; L120-L144 HydrophobicContact CG-CD1 4.12Å; L120-L144 HydrophobicContact CG-CG 4.34Å; L120-L144 PolarHBondContact N-O 2.78Å; L136-L144 HydrophobicContact CD1-CD2 4.08Å; L136-L144 HydrophobicContact CD2-CD2 3.64Å; L140-L144 PolarHBondContact O-N 3.01Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-L144 VanDerWaalsContact O-N 3.09Å
145	L	85.4	Confident	90.6	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.141	24%	0.236	C	C	.	.			trans	-66	131.8	176.8	-69.4	177	0	0	0	109.9	L129 L131 L141 M172	L129-L145 HydrophobicContact CD2-CD2 4.31Å; L131-L145 HydrophobicContact CD1-CD2 3.76Å; L141-L145 HydrophobicContact CD1-CD1 3.6Å; L141-L145 HydrophobicContact CD1-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CG 3.75Å; L141-L145 HydrophobicContact CD2-CD1 4.36Å; L141-L145 HydrophobicContact CG-CD1 3.7Å; L141-L145 HydrophobicContact CG-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CB 3.17Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.38Å; L145-M172 HydrophobicContact CD1-CE 4.01Å
146	G	83.3	Confident	90.8	Very high	25 Å²	25	40.2 Å²	40.2	26%	0.258	21%	0.211	S	C	.	.			trans	-108.6	-175.3	168.8	0	0	0	0	0	111	A148	G146-A148 PolarHBondContact O-N 3.44Å
147	E	90.1	Very high	91	Very high	127 Å²	127	40.3 Å²	40.3	59%	0.593	21%	0.212	S	C	*	.			trans	-63.6	122.5	175.3	-61	176.9	178.8	0	0	110.7	P122 L123 D171	P122-E147 CarbonylContact C-O 3.18Å; P122-E147 WeakPolarHBondContact CA-O 3.14Å; P122-E147 HydrophobicContact CB-CB 4.48Å; L123-E147 PolarHBondContact N-O 3.09Å; E147-D171 HydrophobicContact CG-CB 4.27Å
148	A	93.5	Very high	91.4	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.211	C	C	.	.			trans	-133.6	73.4	178.5	0	0	0	0	0	110	L123 G146 S150 L151 D171 M172	L123-A148 HydrophobicContact CB-CB 4.3Å; G146-A148 PolarHBondContact O-N 3.44Å; A148-S150 PolarHBondContact O-N 3.02Å; A148-L151 HydrophobicContact CB-CB 3.84Å; A148-L151 HydrophobicContact CB-CD2 4.19Å; A148-L151 HydrophobicContact CB-CG 4.49Å; A148-L151 WeakPolarHBondContact O-CB 2.98Å; A148-L151 PolarHBondContact O-N 2.76Å; A148-D171 PolarHBondContact N-O 3.36Å; A148-M172 HydrophobicContact CB-CG 4.13Å
149	P	94.6	Very high	92	Very high	67 Å²	67	38.3 Å²	38.3	44%	0.435	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.9	-170.2	27.4	-36.2	0	0	0	114.1	A174	P149-A174 VanDerWaalsContact O-CB 3.29Å; P149-A174 WeakPolarHBondContact O-CB 3.26Å
150	S	96.5	Very high	92.7	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.8	179.3	-54.9	0	0	0	0	113	P124 V126 T127 A148 H152	P124-S150 WeakPolarHBondContact O-CB 3.31Å; P124-S150 PolarHBondContact O-OG 3.09Å; V126-S150 CarbonylContact O-C 3.46Å; V126-S150 VanDerWaalsContact O-C 3.25Å; T127-S150 WeakPolarHBondContact CA-O 3.24Å; A148-S150 PolarHBondContact O-N 3.02Å; S150-H152 PolarHBondContact O-CE1 3.48Å; S150-H152 VanDerWaalsContact O-CE1 3.29Å; S150-H152 PolarHBondContact O-N 3Å; S150-H152 PolarHBondContact O-ND1 2.8Å
151	L	97.7	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.			trans	-75.3	122.9	-174.5	-165.5	71.1	0	0	0	110.7	V126 L129 A148 L154 M172 A174 L175	V126-L151 HydrophobicContact CG1-CD1 3.93Å; V126-L151 WeakPolarHBondContact O-CA 3.46Å; V126-L151 PolarHBondContact O-N 3.23Å; L129-L151 HydrophobicContact CB-CD1 3.61Å; L129-L151 HydrophobicContact CB-CD2 4.3Å; A148-L151 HydrophobicContact CB-CB 3.84Å; A148-L151 HydrophobicContact CB-CD2 4.19Å; A148-L151 HydrophobicContact CB-CG 4.49Å; A148-L151 WeakPolarHBondContact O-CB 2.98Å; A148-L151 PolarHBondContact O-N 2.76Å; L151-L154 HydrophobicContact CD2-CB 3.97Å; L151-L154 HydrophobicContact CD2-CD1 4.3Å; L151-L154 HydrophobicContact CD2-CD2 4.45Å; L151-L154 HydrophobicContact CD2-CG 4.47Å; L151-M172 HydrophobicContact CD2-CG 4.27Å; L151-M172 HydrophobicContact CD2-SD 3.47Å; L151-M172 WeakPolarHBondContact CD2-SD 3.43Å; L151-A174 CarbonylContact O-C 3.2Å; L151-L175 HydrophobicContact CB-CD1 4.47Å; L151-L175 HydrophobicContact CD2-CD1 4Å; L151-L175 HydrophobicContact CG-CD1 3.95Å; L151-L175 WeakPolarHBondContact O-CA 3.36Å; L151-L175 PolarHBondContact O-N 3.42Å; L151-L175 VanDerWaalsContact O-N 3.1Å
152	H	98.1	Very high	93.6	Very high	71 Å²	71	41.8 Å²	41.8	33%	0.329	22%	0.222	S	C	.	.			trans	-104.8	-34.8	178.5	-65.8	70.7	0	0	0	111.6	T127 S150 E176 Q177	T127-H152 PolarHBondContact O-N 3.29Å; S150-H152 PolarHBondContact O-CE1 3.48Å; S150-H152 VanDerWaalsContact O-CE1 3.29Å; S150-H152 PolarHBondContact O-N 3Å; S150-H152 PolarHBondContact O-ND1 2.8Å; H152-E176 IonicContact CD2-OE1 2.81Å; H152-E176 PolarHBondContact O-N 3.49Å; H152-Q177 PolarHBondContact O-N 2.8Å
153	T	98.6	Very high	94.1	Very high	53 Å²	53	44.6 Å²	44.6	33%	0.325	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.1	-179.3	-55.6	0	0	0	0	110.9	T127 S128 L129 Q177	T127-T153 PolarHBondContact O-N 2.71Å; S128-T153 WeakPolarHBondContact CA-O 2.81Å; L129-T153 PolarHBondContact N-O 2.74Å; T153-Q177 WeakPolarHBondContact CA-O 3.29Å; T153-Q177 HydrophobicContact CG2-CB 4.28Å
154	L	98.3	Very high	94.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.6	174.8	177	58.9	0	0	0	109.7	L129 L151 L156 F169 M172 L175 Q177 L178 D179	L129-L154 HydrophobicContact CB-CD1 4.14Å; L129-L154 HydrophobicContact CD2-CD1 4.08Å; L129-L154 HydrophobicContact CG-CD1 4.1Å; L129-L154 WeakPolarHBondContact O-CA 3.16Å; L151-L154 HydrophobicContact CD2-CB 3.97Å; L151-L154 HydrophobicContact CD2-CD1 4.3Å; L151-L154 HydrophobicContact CD2-CD2 4.45Å; L151-L154 HydrophobicContact CD2-CG 4.47Å; L154-L156 HydrophobicContact CD1-CD2 4.42Å; L154-L156 HydrophobicContact CD1-CG 4.21Å; L154-L156 HydrophobicContact CD2-CD1 3.95Å; L154-L156 HydrophobicContact CD2-CG 4.3Å; L154-L156 HydrophobicContact CG-CD1 4.24Å; L154-L156 HydrophobicContact CG-CG 4.06Å; L154-F169 HydrophobicContact CD2-CD1 4.33Å; L154-F169 HydrophobicContact CD2-CE1 4.29Å; L154-M172 HydrophobicContact CD2-CE 3.82Å; L154-M172 HydrophobicContact CD2-SD 3.89Å; L154-L175 HydrophobicContact CB-CD1 3.68Å; L154-L175 HydrophobicContact CB-CD2 4.19Å; L154-L175 HydrophobicContact CD2-CD2 4.49Å; L154-Q177 PolarHBondContact N-O 2.77Å; L154-L178 HydrophobicContact CB-CD1 4.14Å; L154-L178 HydrophobicContact CD2-CD1 3.99Å; L154-L178 HydrophobicContact CG-CD1 4.07Å; L154-D179 PolarHBondContact O-N 3.43Å
155	S	98.5	Very high	94.9	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.8	167.9	-174.1	0	0	0	0	111.5	L129 L131 A157	L129-S155 PolarHBondContact O-N 3.17Å; L131-S155 CarbonylContact C-O 3.11Å; L131-S155 WeakPolarHBondContact CA-O 3.42Å; L131-S155 PolarHBondContact N-O 3.3Å; S155-A157 PolarHBondContact OG-N 3.18Å
156	L	97.9	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.			trans	-124.6	21.3	172.9	-67.2	171.2	0	0	0	110.5	L131 L136 L141 L154 N159 L161 F169 D179 L180 N183	L131-L156 HydrophobicContact CB-CD2 3.84Å; L131-L156 HydrophobicContact CD1-CD2 4.08Å; L136-L156 HydrophobicContact CD1-CD2 4.14Å; L141-L156 HydrophobicContact CD1-CD1 3.91Å; L141-L156 HydrophobicContact CD1-CD2 3.46Å; L141-L156 VanDerWaalsContact CD1-CD2 3.46Å; L141-L156 HydrophobicContact CD1-CG 4.35Å; L141-L156 HydrophobicContact CD2-CD1 3.68Å; L141-L156 HydrophobicContact CG-CD1 4.41Å; L154-L156 HydrophobicContact CD1-CD2 4.42Å; L154-L156 HydrophobicContact CD1-CG 4.21Å; L154-L156 HydrophobicContact CD2-CD1 3.95Å; L154-L156 HydrophobicContact CD2-CG 4.3Å; L154-L156 HydrophobicContact CG-CD1 4.24Å; L154-L156 HydrophobicContact CG-CG 4.06Å; L156-N159 VanDerWaalsContact C-ND2 3.33Å; L156-N159 PolarHBondContact O-ND2 3.1Å; L156-L161 HydrophobicContact CB-CD1 4.23Å; L156-L161 HydrophobicContact CD1-CD1 4.41Å; L156-F169 HydrophobicContact CD1-CE1 3.71Å; L156-F169 HydrophobicContact CD1-CZ 4.27Å; L156-D179 CarbonylContact C-O 3.16Å; L156-D179 WeakPolarHBondContact CA-O 3.27Å; L156-D179 PolarHBondContact N-O 3.47Å; L156-L180 HydrophobicContact CB-CD2 3.78Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; L156-N183 PolarHBondContact O-ND2 2.99Å
157	A	98.3	Very high	95.4	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	158.1	179.4	0	0	0	0	0	112.7	S132 G133 S155 N159 D179 H181	S132-A157 CarbonylContact C-O 3.57Å; S132-A157 WeakPolarHBondContact CA-O 3.47Å; S132-A157 VanDerWaalsContact CB-O 3.27Å; S132-A157 WeakPolarHBondContact CB-O 3.35Å; G133-A157 PolarHBondContact N-O 3.03Å; S155-A157 PolarHBondContact OG-N 3.18Å; A157-N159 PolarHBondContact O-N 3.26Å; A157-N159 VanDerWaalsContact O-N 3.14Å; A157-N159 PolarHBondContact O-ND2 2.8Å; A157-D179 PolarHBondContact N-O 3.47Å; A157-H181 CarbonylContact C-O 3.11Å; A157-H181 WeakPolarHBondContact CA-O 3.43Å; A157-H181 VanDerWaalsContact CB-CD2 3.46Å; A157-H181 WeakPolarHBondContact CB-CD2 3.4Å; A157-H181 WeakPolarHBondContact CB-NE2 3.49Å
158	E	97.9	Very high	95.4	Very high	97 Å²	97	40.7 Å²	40.7	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	35.8	175.4	-57.2	-172.7	-170.1	0	0	113.7	H106 G133 H181 S182	H106-E158 IonicContact CE1-OE2 3.78Å; H106-E158 PolarHBondContact CE1-OE2 3.17Å; H106-E158 VanDerWaalsContact CE1-OE2 3.3Å; G133-E158 VanDerWaalsContact CA-O 3.26Å; G133-E158 WeakPolarHBondContact CA-O 3.48Å; G133-E158 PolarHBondContact N-O 3.2Å; E158-H181 PolarHBondContact N-O 3.2Å; E158-S182 VanDerWaalsContact CA-O 3.25Å; E158-S182 WeakPolarHBondContact CA-O 3.39Å; E158-S182 PolarHBondContact N-O 3.29Å
159	N	97.3	Very high	95.4	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-106.8	-168.7	172.1	-77.7	-66.1	0	0	0	110	L131 N134 S135 L136 L156 A157 L161 N183	L131-N159 PolarHBondContact O-ND2 2.98Å; N134-N159 WeakPolarHBondContact CA-OD1 3.47Å; N134-N159 PolarHBondContact N-OD1 2.94Å; S135-N159 PolarHBondContact N-OD1 3.45Å; L136-N159 HydrophobicContact CB-CB 4.1Å; L136-N159 WeakPolarHBondContact CB-OD1 3.44Å; L136-N159 WeakPolarHBondContact CG-OD1 3.47Å; L136-N159 PolarHBondContact N-OD1 3.47Å; L156-N159 VanDerWaalsContact C-ND2 3.33Å; L156-N159 PolarHBondContact O-ND2 3.1Å; A157-N159 PolarHBondContact O-N 3.26Å; A157-N159 VanDerWaalsContact O-N 3.14Å; A157-N159 PolarHBondContact O-ND2 2.8Å; N159-L161 HydrophobicContact CB-CG 4.27Å; N159-N183 VanDerWaalsContact CA-OD1 3.3Å; N159-N183 WeakPolarHBondContact CA-OD1 3.42Å; N159-N183 WeakPolarHBondContact CB-OD1 3.4Å; N159-N183 PolarHBondContact N-OD1 2.75Å; N159-N183 PolarHBondContact O-OD1 2.97Å
160	S	96.4	Very high	95	Very high	54 Å²	54	45.5 Å²	45.5	38%	0.378	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-120.6	38.5	-179.1	-55.3	0	0	0	0	110.9	L136 T162 N183	L136-S160 CarbonylContact O-C 3.59Å; L136-S160 VanDerWaalsContact O-CA 3.26Å; L136-S160 WeakPolarHBondContact O-CA 3.27Å; L136-S160 PolarHBondContact O-N 2.94Å; S160-T162 PolarHBondContact O-N 3.36Å; S160-N183 PolarHBondContact N-OD1 3.46Å
161	L	96.1	Very high	94.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.225	C	C	.	.			trans	-70.2	129.1	177	-57.1	176.5	0	0	0	109.4	L136 L141 L156 N159 L180 N183 V184 L185	L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 PolarHBondContact O-N 2.89Å; L141-L161 HydrophobicContact CB-CD2 4.14Å; L141-L161 HydrophobicContact CD2-CD1 3.95Å; L141-L161 HydrophobicContact CD2-CD2 3.95Å; L156-L161 HydrophobicContact CB-CD1 4.23Å; L156-L161 HydrophobicContact CD1-CD1 4.41Å; N159-L161 HydrophobicContact CB-CG 4.27Å; L161-L180 HydrophobicContact CD1-CD2 3.63Å; L161-N183 HydrophobicContact CB-CB 4.3Å; L161-N183 WeakPolarHBondContact CB-OD1 3.41Å; L161-N183 VanDerWaalsContact CG-OD1 3.3Å; L161-N183 WeakPolarHBondContact CG-OD1 3.46Å; L161-N183 PolarHBondContact N-OD1 3.28Å; L161-V184 CarbonylContact O-C 3.45Å; L161-V184 WeakPolarHBondContact O-CA 3.21Å; L161-V184 VanDerWaalsContact O-CG2 3.27Å; L161-V184 WeakPolarHBondContact O-CG2 3.32Å; L161-V184 PolarHBondContact O-N 3.25Å; L161-L185 HydrophobicContact CB-CD2 3.83Å; L161-L185 HydrophobicContact CB-CG 4.48Å; L161-L185 PolarHBondContact O-N 2.93Å
162	T	94.8	Very high	94.5	Very high	53 Å²	53	48 Å²	48	33%	0.325	23%	0.227	S	C	.	.			trans	-104	-26.9	-177	54.5	0	0	0	0	113.6	S138 S160 V184 M186	S138-T162 PolarHBondContact OG-N 3.32Å; S138-T162 PolarHBondContact OG-OG1 3.46Å; S160-T162 PolarHBondContact O-N 3.36Å; T162-V184 WeakPolarHBondContact CA-O 3.49Å; T162-V184 HydrophobicContact CG2-CG2 3.74Å; T162-M186 PolarHBondContact O-N 2.98Å
163	R	94	Very high	94.3	Very high	117 Å²	117	47.7 Å²	47.7	44%	0.442	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.4	-179.3	59.2	178.1	-81.2	176.9	-1.8	111.4	S138 D187 E189	S138-R163 PolarHBondContact OG-N 2.92Å; R163-D187 WeakPolarHBondContact CA-O 3.26Å; R163-D187 HydrophobicContact CB-CB 4.2Å; R163-E189 IonicContact NH2-OE2 3.69Å
164	L	93.8	Very high	94.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.1	167.8	-56.8	177.5	0	0	0	109.4	T168 F169 L180 L185 D187 I188 E189 A192 F193	L164-T168 HydrophobicContact CD2-CG2 4.35Å; L164-F169 HydrophobicContact CD1-CE2 4.19Å; L164-F169 HydrophobicContact CD2-CE2 3.85Å; L164-F169 HydrophobicContact CD2-CZ 3.89Å; L164-F169 HydrophobicContact CG-CE2 4.46Å; L164-L180 HydrophobicContact CD1-CD1 3.76Å; L164-L180 HydrophobicContact CD2-CD1 4.3Å; L164-L180 HydrophobicContact CD2-CD2 4.47Å; L164-L185 HydrophobicContact CD1-CD1 4.12Å; L164-L185 HydrophobicContact CD2-CD1 4.42Å; L164-L185 HydrophobicContact CD2-CD2 3.91Å; L164-L185 HydrophobicContact CG-CD1 4.2Å; L164-L185 HydrophobicContact CG-CD2 3.86Å; L164-D187 PolarHBondContact N-O 3.14Å; L164-I188 HydrophobicContact CB-CG2 4.42Å; L164-I188 HydrophobicContact CD1-CD1 4.35Å; L164-I188 HydrophobicContact CD1-CG1 4.17Å; L164-E189 WeakPolarHBondContact O-CB 3.17Å; L164-E189 PolarHBondContact O-N 3.47Å; L164-A192 HydrophobicContact CB-CB 4.08Å; L164-F193 HydrophobicContact CD1-CE1 3.94Å; L164-F193 HydrophobicContact CD1-CZ 3.64Å
165	T	92.1	Very high	94.2	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.11	22%	0.224	C	C	.	.			trans	-113.5	162	178.6	75.3	0	0	0	0	110.8	H167 T168 E189	T165-H167 PolarHBondContact O-N 3.42Å; T165-H167 PolarHBondContact OG1-N 2.91Å; T165-T168 PolarHBondContact N-OG1 3.21Å; T165-T168 WeakPolarHBondContact O-CB 3.32Å; T165-T168 PolarHBondContact O-N 3.4Å; T165-T168 PolarHBondContact O-OG1 3.05Å; T165-T168 PolarHBondContact OG1-N 3.45Å; T165-T168 PolarHBondContact OG1-OG1 3.48Å; T165-E189 VanDerWaalsContact CA-OE2 3.3Å; T165-E189 WeakPolarHBondContact CA-OE2 3.25Å; T165-E189 VanDerWaalsContact CB-OE2 3.27Å; T165-E189 WeakPolarHBondContact CB-OE2 3.43Å
166	R	90.5	Very high	94.2	Very high	136 Å²	136	49.1 Å²	49.1	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-14	172.9	70.6	180	-64.4	-167.4	6.1	115.2	E189	R166-E189 PolarHBondContact N-OE2 3.03Å
167	H	89	Confident	94.3	Very high	109 Å²	109	53.1 Å²	53.1	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-8.4	-179	-49.4	91.8	0	0	0	112.8	T165 F169	T165-H167 PolarHBondContact O-N 3.42Å; T165-H167 PolarHBondContact OG1-N 2.91Å; H167-F169 PolarHBondContact O-N 3.03Å
168	T	90.6	Very high	94.3	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.037	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.8	-169.4	-59.6	0	0	0	0	112.8	L141 E142 L164 T165	L141-T168 HydrophobicContact CD2-CG2 3.69Å; E142-T168 PolarHBondContact OE1-OG1 3Å; L164-T168 HydrophobicContact CD2-CG2 4.35Å; T165-T168 PolarHBondContact N-OG1 3.21Å; T165-T168 WeakPolarHBondContact O-CB 3.32Å; T165-T168 PolarHBondContact O-N 3.4Å; T165-T168 PolarHBondContact O-OG1 3.05Å; T165-T168 PolarHBondContact OG1-N 3.45Å; T165-T168 PolarHBondContact OG1-OG1 3.48Å
169	F	92.4	Very high	94.3	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	26.9	-176.7	-53.6	-66.1	0	0	0	114.3	L154 L156 L164 H167 D171 M172 L178 L180 F193 L196	L154-F169 HydrophobicContact CD2-CD1 4.33Å; L154-F169 HydrophobicContact CD2-CE1 4.29Å; L156-F169 HydrophobicContact CD1-CE1 3.71Å; L156-F169 HydrophobicContact CD1-CZ 4.27Å; L164-F169 HydrophobicContact CD1-CE2 4.19Å; L164-F169 HydrophobicContact CD2-CE2 3.85Å; L164-F169 HydrophobicContact CD2-CZ 3.89Å; L164-F169 HydrophobicContact CG-CE2 4.46Å; H167-F169 PolarHBondContact O-N 3.03Å; F169-D171 PolarHBondContact O-N 3.07Å; F169-M172 HydrophobicContact CB-CE 4.04Å; F169-M172 HydrophobicContact CD1-CE 3.71Å; F169-M172 HydrophobicContact CG-CE 4.38Å; F169-L178 HydrophobicContact CD1-CD2 4.48Å; F169-L178 HydrophobicContact CD2-CD2 4.2Å; F169-L178 HydrophobicContact CE1-CD1 4.04Å; F169-L178 HydrophobicContact CE1-CD2 4.13Å; F169-L178 HydrophobicContact CE2-CD2 3.81Å; F169-L178 HydrophobicContact CZ-CD1 4.26Å; F169-L178 HydrophobicContact CZ-CD2 3.79Å; F169-L180 HydrophobicContact CE2-CD1 4.46Å; F169-L180 HydrophobicContact CZ-CD1 4.1Å; F169-L180 HydrophobicContact CZ-CD2 4.28Å; F169-F193 HydrophobicContact CD2-CD1 4.33Å; F169-F193 HydrophobicContact CD2-CE1 4.43Å; F169-F193 HydrophobicContact CE2-CD1 4.5Å; F169-F193 HydrophobicContact CE2-CE1 4.14Å; F169-L196 HydrophobicContact CB-CD1 3.82Å; F169-L196 HydrophobicContact CB-CD2 3.92Å; F169-L196 HydrophobicContact CB-CG 3.99Å; F169-L196 HydrophobicContact CD2-CD1 4.25Å; F169-L196 HydrophobicContact CG-CD1 4.13Å; F169-L196 WeakPolarHBondContact O-CD2 3.47Å
170	R	86.1	Confident	94.4	Very high	169 Å²	169	50.1 Å²	50.1	64%	0.638	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.8	-168.2	-171	-179.7	-177.7	-173.6	-0.3	114.8	M172	R170-M172 PolarHBondContact O-N 2.77Å
171	D	89.5	Confident	94.4	Very high	87 Å²	87	49.6 Å²	49.6	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	31.5	-166.7	-56.7	-45.9	0	0	0	113.6	E147 A148 F169	E147-D171 HydrophobicContact CG-CB 4.27Å; A148-D171 PolarHBondContact N-O 3.36Å; F169-D171 PolarHBondContact O-N 3.07Å
172	M	94.3	Very high	94.5	Very high	5 Å²	5	51 Å²	51	3%	0.025	24%	0.242	C	C	.	.			trans	-135.6	59.3	-178.5	-61.7	178.4	-72	0	0	111.8	L145 A148 L151 L154 F169 R170 A174 L175 L196	L145-M172 HydrophobicContact CD1-CE 4.01Å; A148-M172 HydrophobicContact CB-CG 4.13Å; L151-M172 HydrophobicContact CD2-CG 4.27Å; L151-M172 HydrophobicContact CD2-SD 3.47Å; L151-M172 WeakPolarHBondContact CD2-SD 3.43Å; L154-M172 HydrophobicContact CD2-CE 3.82Å; L154-M172 HydrophobicContact CD2-SD 3.89Å; F169-M172 HydrophobicContact CB-CE 4.04Å; F169-M172 HydrophobicContact CD1-CE 3.71Å; F169-M172 HydrophobicContact CG-CE 4.38Å; R170-M172 PolarHBondContact O-N 2.77Å; M172-A174 PolarHBondContact O-N 3.3Å; M172-L175 HydrophobicContact CB-CB 4.45Å; M172-L175 WeakPolarHBondContact O-CB 3.3Å; M172-L175 PolarHBondContact O-N 2.9Å; M172-L175 VanDerWaalsContact O-N 3.17Å; M172-L196 HydrophobicContact CB-CD2 4.41Å; M172-L196 VanDerWaalsContact O-CD2 3.26Å; M172-L196 WeakPolarHBondContact O-CD2 3.34Å
173	P	94.8	Very high	94.7	Very high	63 Å²	63	48.8 Å²	48.8	41%	0.409	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.6	-170	27.9	-37	0	0	0	114.5	L175 H198	P173-L175 VanDerWaalsContact C-N 3.31Å; P173-H198 PolarHBondContact O-CD2 2.92Å
174	A	97	Very high	94.9	Very high	24 Å²	24	46.2 Å²	46.2	20%	0.198	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2	179.4	0	0	0	0	0	113.7	P149 L151 M172 E176	P149-A174 VanDerWaalsContact O-CB 3.29Å; P149-A174 WeakPolarHBondContact O-CB 3.26Å; L151-A174 CarbonylContact O-C 3.2Å; M172-A174 PolarHBondContact O-N 3.3Å; A174-E176 PolarHBondContact O-N 3.02Å
175	L	97.8	Very high	95	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.			trans	-67.5	126.7	-173	-162.6	72.2	0	0	0	111.4	L151 L154 M172 P173 L178 L196 H198 L199	L151-L175 HydrophobicContact CB-CD1 4.47Å; L151-L175 HydrophobicContact CD2-CD1 4Å; L151-L175 HydrophobicContact CG-CD1 3.95Å; L151-L175 WeakPolarHBondContact O-CA 3.36Å; L151-L175 PolarHBondContact O-N 3.42Å; L151-L175 VanDerWaalsContact O-N 3.1Å; L154-L175 HydrophobicContact CB-CD1 3.68Å; L154-L175 HydrophobicContact CB-CD2 4.19Å; L154-L175 HydrophobicContact CD2-CD2 4.49Å; M172-L175 HydrophobicContact CB-CB 4.45Å; M172-L175 WeakPolarHBondContact O-CB 3.3Å; M172-L175 PolarHBondContact O-N 2.9Å; M172-L175 VanDerWaalsContact O-N 3.17Å; P173-L175 VanDerWaalsContact C-N 3.31Å; L175-L178 HydrophobicContact CD2-CB 4.06Å; L175-L178 HydrophobicContact CD2-CD1 4.23Å; L175-L196 HydrophobicContact CB-CD2 3.87Å; L175-L196 HydrophobicContact CD2-CD1 3.98Å; L175-L196 HydrophobicContact CD2-CD2 4.09Å; L175-H198 CarbonylContact O-C 3.6Å; L175-L199 PolarHBondContact O-N 3.31Å
176	E	98.1	Very high	95	Very high	79 Å²	79	50.1 Å²	50.1	37%	0.369	24%	0.244	S	C	.	.			trans	-111.3	-30.7	-179.9	-62.2	-173.1	177.6	0	0	112.1	H152 A174 H198 T200 H201	H152-E176 IonicContact CD2-OE1 2.81Å; H152-E176 PolarHBondContact O-N 3.49Å; A174-E176 PolarHBondContact O-N 3.02Å; E176-H198 HydrophobicContact CG-CB 4.48Å; E176-T200 PolarHBondContact O-N 3.3Å; E176-T200 PolarHBondContact O-OG1 3.18Å; E176-T200 VanDerWaalsContact O-OG1 3.04Å; E176-H201 PolarHBondContact O-N 2.92Å
177	Q	98.7	Very high	94.9	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.9	-177.3	-53.9	-170.2	10.6	0	0	110.6	H152 T153 L154 H201	H152-Q177 PolarHBondContact O-N 2.8Å; T153-Q177 WeakPolarHBondContact CA-O 3.29Å; T153-Q177 HydrophobicContact CG2-CB 4.28Å; L154-Q177 PolarHBondContact N-O 2.77Å; Q177-H201 WeakPolarHBondContact CA-O 3.06Å; Q177-H201 HydrophobicContact CB-CB 4.3Å; Q177-H201 HydrophobicContact CG-CB 4.03Å
178	L	98.5	Very high	95.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.3	178.3	178.6	57.8	0	0	0	109.9	L154 F169 L175 L180 F193 L196 L199 H201 L202 N203	L154-L178 HydrophobicContact CB-CD1 4.14Å; L154-L178 HydrophobicContact CD2-CD1 3.99Å; L154-L178 HydrophobicContact CG-CD1 4.07Å; F169-L178 HydrophobicContact CD1-CD2 4.48Å; F169-L178 HydrophobicContact CD2-CD2 4.2Å; F169-L178 HydrophobicContact CE1-CD1 4.04Å; F169-L178 HydrophobicContact CE1-CD2 4.13Å; F169-L178 HydrophobicContact CE2-CD2 3.81Å; F169-L178 HydrophobicContact CZ-CD1 4.26Å; F169-L178 HydrophobicContact CZ-CD2 3.79Å; L175-L178 HydrophobicContact CD2-CB 4.06Å; L175-L178 HydrophobicContact CD2-CD1 4.23Å; L178-L180 HydrophobicContact CD1-CD1 4.4Å; L178-L180 HydrophobicContact CD1-CG 4.19Å; L178-L180 HydrophobicContact CD2-CD1 3.81Å; L178-L180 HydrophobicContact CD2-CG 4.47Å; L178-L180 HydrophobicContact CG-CD1 3.91Å; L178-L180 HydrophobicContact CG-CG 4.07Å; L178-F193 HydrophobicContact CD2-CD1 4.43Å; L178-F193 HydrophobicContact CD2-CE1 4.02Å; L178-L196 HydrophobicContact CD2-CD1 4.15Å; L178-L199 HydrophobicContact CB-CD1 3.76Å; L178-H201 PolarHBondContact N-O 2.97Å; L178-L202 HydrophobicContact CB-CD1 4.1Å; L178-L202 HydrophobicContact CD2-CD1 3.99Å; L178-L202 HydrophobicContact CG-CD1 4.06Å; L178-L202 WeakPolarHBondContact O-CA 3.43Å; L178-N203 PolarHBondContact O-N 3.26Å
179	D	98.7	Very high	95	Very high	41 Å²	41	49.1 Å²	49.1	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	177	-171.3	6	0	0	0	111.2	L154 L156 A157 H181 N203	L154-D179 PolarHBondContact O-N 3.43Å; L156-D179 CarbonylContact C-O 3.16Å; L156-D179 WeakPolarHBondContact CA-O 3.27Å; L156-D179 PolarHBondContact N-O 3.47Å; A157-D179 PolarHBondContact N-O 3.47Å; D179-H181 VanDerWaalsContact CG-CD2 3.46Å; D179-H181 IonicContact OD1-CD2 3.81Å; D179-H181 PolarHBondContact OD1-CD2 3.4Å; D179-H181 IonicContact OD1-CG 2.88Å; D179-H181 PolarHBondContact OD1-N 3.18Å; D179-H181 IonicContact OD2-CD2 3.3Å; D179-H181 PolarHBondContact OD2-CD2 3.15Å; D179-H181 IonicContact OD2-NE2 3.89Å; D179-N203 PolarHBondContact OD1-ND2 3.06Å
180	L	98.3	Very high	94.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.			trans	-126.3	19.1	-179.2	-73.1	163	0	0	0	111.1	L156 L161 L164 F169 L178 N183 L185 L202 N203 L204 N207	L156-L180 HydrophobicContact CB-CD2 3.78Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; L161-L180 HydrophobicContact CD1-CD2 3.63Å; L164-L180 HydrophobicContact CD1-CD1 3.76Å; L164-L180 HydrophobicContact CD2-CD1 4.3Å; L164-L180 HydrophobicContact CD2-CD2 4.47Å; F169-L180 HydrophobicContact CE2-CD1 4.46Å; F169-L180 HydrophobicContact CZ-CD1 4.1Å; F169-L180 HydrophobicContact CZ-CD2 4.28Å; L178-L180 HydrophobicContact CD1-CD1 4.4Å; L178-L180 HydrophobicContact CD1-CG 4.19Å; L178-L180 HydrophobicContact CD2-CD1 3.81Å; L178-L180 HydrophobicContact CD2-CG 4.47Å; L178-L180 HydrophobicContact CG-CD1 3.91Å; L178-L180 HydrophobicContact CG-CG 4.07Å; L180-N183 PolarHBondContact O-ND2 2.99Å; L180-L185 HydrophobicContact CB-CD1 4.24Å; L180-L185 HydrophobicContact CD1-CD1 4.41Å; L180-L202 HydrophobicContact CD1-CD1 4.3Å; L180-N203 CarbonylContact C-O 3.58Å; L180-N203 WeakPolarHBondContact CA-O 3.24Å; L180-N203 WeakPolarHBondContact CB-O 3.15Å; L180-N203 PolarHBondContact N-O 3.06Å; L180-L204 HydrophobicContact CB-CD2 3.93Å; L180-L204 HydrophobicContact CD1-CD2 3.85Å; L180-N207 PolarHBondContact O-ND2 3.12Å
181	H	98.4	Very high	94.6	Very high	44 Å²	44	47.2 Å²	47.2	20%	0.204	25%	0.254	C	S	.	.			trans	-62.6	153.8	-177	80.4	74.8	0	0	0	112.7	A157 E158 D179 N183 N203 S205	A157-H181 CarbonylContact C-O 3.11Å; A157-H181 WeakPolarHBondContact CA-O 3.43Å; A157-H181 VanDerWaalsContact CB-CD2 3.46Å; A157-H181 WeakPolarHBondContact CB-CD2 3.4Å; A157-H181 WeakPolarHBondContact CB-NE2 3.49Å; E158-H181 PolarHBondContact N-O 3.2Å; D179-H181 VanDerWaalsContact CG-CD2 3.46Å; D179-H181 IonicContact OD1-CD2 3.81Å; D179-H181 PolarHBondContact OD1-CD2 3.4Å; D179-H181 IonicContact OD1-CG 2.88Å; D179-H181 PolarHBondContact OD1-N 3.18Å; D179-H181 IonicContact OD2-CD2 3.3Å; D179-H181 PolarHBondContact OD2-CD2 3.15Å; D179-H181 IonicContact OD2-NE2 3.89Å; H181-N183 VanDerWaalsContact C-N 3.29Å; H181-N183 PolarHBondContact O-N 3.11Å; H181-N183 PolarHBondContact O-ND2 3.28Å; H181-N203 PolarHBondContact N-O 3.38Å; H181-S205 CarbonylContact C-O 3.47Å; H181-S205 WeakPolarHBondContact CA-O 3.24Å; H181-S205 WeakPolarHBondContact CB-O 3.04Å; H181-S205 VanDerWaalsContact CB-OG 3.27Å; H181-S205 WeakPolarHBondContact CB-OG 3.45Å
182	S	98.2	Very high	94.7	Very high	29 Å²	29	43.3 Å²	43.3	20%	0.203	23%	0.233	C	C	.	.	S	Bend	trans	56.4	43.9	175.5	-53.8	0	0	0	0	112.9	E158 S205 R206	E158-S182 VanDerWaalsContact CA-O 3.25Å; E158-S182 WeakPolarHBondContact CA-O 3.39Å; E158-S182 PolarHBondContact N-O 3.29Å; S182-S205 PolarHBondContact N-O 2.93Å; S182-R206 WeakPolarHBondContact CA-O 3.3Å; S182-R206 PolarHBondContact N-O 3.05Å; S182-R206 WeakPolarHBondContact OG-CD 3.34Å
183	N	98.1	Very high	94.6	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	24%	0.238	C	C	.	.	S	Bend	trans	-106.7	-169.7	166.8	-85.2	-83.1	0	0	0	109.4	L156 N159 S160 L161 L180 H181 L185 R206 N207	L156-N183 PolarHBondContact O-ND2 2.99Å; N159-N183 VanDerWaalsContact CA-OD1 3.3Å; N159-N183 WeakPolarHBondContact CA-OD1 3.42Å; N159-N183 WeakPolarHBondContact CB-OD1 3.4Å; N159-N183 PolarHBondContact N-OD1 2.75Å; N159-N183 PolarHBondContact O-OD1 2.97Å; S160-N183 PolarHBondContact N-OD1 3.46Å; L161-N183 HydrophobicContact CB-CB 4.3Å; L161-N183 WeakPolarHBondContact CB-OD1 3.41Å; L161-N183 VanDerWaalsContact CG-OD1 3.3Å; L161-N183 WeakPolarHBondContact CG-OD1 3.46Å; L161-N183 PolarHBondContact N-OD1 3.28Å; L180-N183 PolarHBondContact O-ND2 2.99Å; H181-N183 VanDerWaalsContact C-N 3.29Å; H181-N183 PolarHBondContact O-N 3.11Å; H181-N183 PolarHBondContact O-ND2 3.28Å; N183-L185 HydrophobicContact CB-CG 4.14Å; N183-R206 PolarHBondContact N-O 3.47Å; N183-N207 WeakPolarHBondContact CA-OD1 3.4Å; N183-N207 WeakPolarHBondContact CB-OD1 3.49Å; N183-N207 PolarHBondContact N-OD1 3.3Å; N183-N207 PolarHBondContact O-OD1 3.34Å
184	V	97.1	Very high	94.3	Very high	63 Å²	63	48 Å²	48	38%	0.382	25%	0.25	S	C	.	.			trans	-118.8	36.8	176.5	-68.4	0	0	0	0	110.4	L161 T162 M186 N207	L161-V184 CarbonylContact O-C 3.45Å; L161-V184 WeakPolarHBondContact O-CA 3.21Å; L161-V184 VanDerWaalsContact O-CG2 3.27Å; L161-V184 WeakPolarHBondContact O-CG2 3.32Å; L161-V184 PolarHBondContact O-N 3.25Å; T162-V184 WeakPolarHBondContact CA-O 3.49Å; T162-V184 HydrophobicContact CG2-CG2 3.74Å; V184-M186 PolarHBondContact O-N 3.01Å; V184-N207 PolarHBondContact N-OD1 2.99Å
185	L	96.6	Very high	94	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.			trans	-64.2	123	-178.4	-66	172.8	0	0	0	109.4	L161 L164 L180 N183 L204 N207 S208 L209	L161-L185 HydrophobicContact CB-CD2 3.83Å; L161-L185 HydrophobicContact CB-CG 4.48Å; L161-L185 PolarHBondContact O-N 2.93Å; L164-L185 HydrophobicContact CD1-CD1 4.12Å; L164-L185 HydrophobicContact CD2-CD1 4.42Å; L164-L185 HydrophobicContact CD2-CD2 3.91Å; L164-L185 HydrophobicContact CG-CD1 4.2Å; L164-L185 HydrophobicContact CG-CD2 3.86Å; L180-L185 HydrophobicContact CB-CD1 4.24Å; L180-L185 HydrophobicContact CD1-CD1 4.41Å; N183-L185 HydrophobicContact CB-CG 4.14Å; L185-L204 HydrophobicContact CD1-CD2 3.68Å; L185-N207 HydrophobicContact CB-CB 4.14Å; L185-N207 VanDerWaalsContact CB-OD1 3.24Å; L185-N207 WeakPolarHBondContact CB-OD1 3.48Å; L185-N207 VanDerWaalsContact CG-OD1 3.31Å; L185-N207 WeakPolarHBondContact CG-OD1 3.46Å; L185-N207 PolarHBondContact N-OD1 3.41Å; L185-S208 CarbonylContact O-C 3.57Å; L185-S208 VanDerWaalsContact O-CA 3.27Å; L185-S208 WeakPolarHBondContact O-CA 3.37Å; L185-S208 PolarHBondContact O-N 3.42Å; L185-L209 HydrophobicContact CB-CD2 4.19Å; L185-L209 PolarHBondContact O-N 3.21Å; L185-L209 VanDerWaalsContact O-N 3.16Å
186	M	93	Very high	93.8	Very high	100 Å²	100	48.4 Å²	48.4	49%	0.493	26%	0.255	S	S	.	.			trans	-109.7	-38.1	173.6	-64.5	176.6	-66.6	0	0	110.5	T162 V184	T162-M186 PolarHBondContact O-N 2.98Å; V184-M186 PolarHBondContact O-N 3.01Å
187	D	88.5	Confident	93.5	Very high	102 Å²	102	48 Å²	48	55%	0.545	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.1	-174.8	-57.7	-46.1	0	0	0	112	R163 L164	R163-D187 WeakPolarHBondContact CA-O 3.26Å; R163-D187 HydrophobicContact CB-CB 4.2Å; L164-D187 PolarHBondContact N-O 3.14Å
188	I	91.9	Very high	93.4	Very high	54 Å²	54	49.5 Å²	49.5	28%	0.277	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113	167.6	-58.5	178.4	0	0	0	106.9	L164 A192 F193 L204 L209	L164-I188 HydrophobicContact CB-CG2 4.42Å; L164-I188 HydrophobicContact CD1-CD1 4.35Å; L164-I188 HydrophobicContact CD1-CG1 4.17Å; I188-A192 HydrophobicContact CG2-CB 3.79Å; I188-F193 HydrophobicContact CG2-CE2 3.76Å; I188-F193 HydrophobicContact CG2-CZ 4.28Å; I188-L204 HydrophobicContact CD1-CD1 3.89Å; I188-L204 HydrophobicContact CD1-CD2 4.38Å; I188-L209 HydrophobicContact CD1-CD1 4.14Å; I188-L209 HydrophobicContact CD1-CD2 3.99Å; I188-L209 HydrophobicContact CG1-CD2 4.01Å
189	E	89.8	Confident	93.3	Very high	75 Å²	75	49.5 Å²	49.5	35%	0.35	27%	0.266	S	S	.	.			trans	-65.3	146.8	178.3	-166.1	178.9	169.8	0	0	110.8	R163 L164 T165 R166 G191 A192	R163-E189 IonicContact NH2-OE2 3.69Å; L164-E189 WeakPolarHBondContact O-CB 3.17Å; L164-E189 PolarHBondContact O-N 3.47Å; T165-E189 VanDerWaalsContact CA-OE2 3.3Å; T165-E189 WeakPolarHBondContact CA-OE2 3.25Å; T165-E189 VanDerWaalsContact CB-OE2 3.27Å; T165-E189 WeakPolarHBondContact CB-OE2 3.43Å; R166-E189 PolarHBondContact N-OE2 3.03Å; E189-G191 PolarHBondContact O-N 3.33Å; E189-A192 WeakPolarHBondContact O-CB 3.38Å; E189-A192 PolarHBondContact O-N 3.42Å
190	D	84.3	Confident	93.3	Very high	124 Å²	124	48.5 Å²	48.5	66%	0.663	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.8	170.3	-172.4	21.6	0	0	0	110.3	A192	D190-A192 VanDerWaalsContact C-N 3.26Å; D190-A192 PolarHBondContact O-N 2.76Å
191	G	86.1	Confident	93.3	Very high	8 Å²	8	51.8 Å²	51.8	8%	0.082	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	12.5	-173.3	0	0	0	0	0	116.1	E189 F193 E194	E189-G191 PolarHBondContact O-N 3.33Å; G191-F193 PolarHBondContact O-N 2.82Å; G191-E194 WeakPolarHBondContact O-CB 3.46Å; G191-E194 PolarHBondContact O-N 3.36Å
192	A	91.3	Very high	93.3	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.033	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.1	174.2	0	0	0	0	0	114	L164 I188 E189 D190	L164-A192 HydrophobicContact CB-CB 4.08Å; I188-A192 HydrophobicContact CG2-CB 3.79Å; E189-A192 WeakPolarHBondContact O-CB 3.38Å; E189-A192 PolarHBondContact O-N 3.42Å; D190-A192 VanDerWaalsContact C-N 3.26Å; D190-A192 PolarHBondContact O-N 2.76Å
193	F	92.2	Very high	93.3	Very high	27 Å²	27	50.3 Å²	50.3	12%	0.118	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	9.4	-179.1	-52	-70.4	0	0	0	114.2	L164 F169 L178 I188 G191 G195 L196 L199 L202 L217	L164-F193 HydrophobicContact CD1-CE1 3.94Å; L164-F193 HydrophobicContact CD1-CZ 3.64Å; F169-F193 HydrophobicContact CD2-CD1 4.33Å; F169-F193 HydrophobicContact CD2-CE1 4.43Å; F169-F193 HydrophobicContact CE2-CD1 4.5Å; F169-F193 HydrophobicContact CE2-CE1 4.14Å; L178-F193 HydrophobicContact CD2-CD1 4.43Å; L178-F193 HydrophobicContact CD2-CE1 4.02Å; I188-F193 HydrophobicContact CG2-CE2 3.76Å; I188-F193 HydrophobicContact CG2-CZ 4.28Å; G191-F193 PolarHBondContact O-N 2.82Å; F193-G195 PolarHBondContact O-N 3.44Å; F193-G195 VanDerWaalsContact O-N 3.17Å; F193-L196 HydrophobicContact CD1-CD1 4.16Å; F193-L196 PolarHBondContact O-N 2.77Å; F193-L199 HydrophobicContact CD1-CD2 4.36Å; F193-L202 HydrophobicContact CE1-CD1 4.21Å; F193-L202 HydrophobicContact CE1-CD2 4.17Å; F193-L202 HydrophobicContact CE2-CD2 4.08Å; F193-L202 HydrophobicContact CZ-CD1 4.36Å; F193-L202 HydrophobicContact CZ-CD2 3.78Å; F193-L217 HydrophobicContact CB-CD2 3.57Å; F193-L217 HydrophobicContact CB-CG 4.42Å; F193-L217 HydrophobicContact CD2-CD1 3.89Å; F193-L217 HydrophobicContact CD2-CD2 4.36Å; F193-L217 HydrophobicContact CD2-CG 4.34Å; F193-L217 HydrophobicContact CE2-CD1 4.32Å; F193-L217 HydrophobicContact CG-CD1 4.29Å; F193-L217 HydrophobicContact CG-CD2 4.18Å
194	E	88.1	Confident	93.3	Very high	141 Å²	141	50.2 Å²	50.2	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.4	178.8	-87.4	177.3	179.7	0	0	113	G191 L196	G191-E194 WeakPolarHBondContact O-CB 3.46Å; G191-E194 PolarHBondContact O-N 3.36Å; E194-L196 PolarHBondContact O-N 3.31Å
195	G	89.7	Confident	93.4	Very high	27 Å²	27	47.8 Å²	47.8	28%	0.278	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-5.4	177.4	0	0	0	0	0	114.9	F193 P197	F193-G195 PolarHBondContact O-N 3.44Å; F193-G195 VanDerWaalsContact O-N 3.17Å; G195-P197 WeakPolarHBondContact O-CD 3.47Å
196	L	94.6	Very high	93.5	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.282	C	S	.	.			trans	-119	64.2	-172	-53.6	-177.8	0	0	0	111.9	F169 M172 L175 L178 F193 E194 H198 L199	F169-L196 HydrophobicContact CB-CD1 3.82Å; F169-L196 HydrophobicContact CB-CD2 3.92Å; F169-L196 HydrophobicContact CB-CG 3.99Å; F169-L196 HydrophobicContact CD2-CD1 4.25Å; F169-L196 HydrophobicContact CG-CD1 4.13Å; F169-L196 WeakPolarHBondContact O-CD2 3.47Å; M172-L196 HydrophobicContact CB-CD2 4.41Å; M172-L196 VanDerWaalsContact O-CD2 3.26Å; M172-L196 WeakPolarHBondContact O-CD2 3.34Å; L175-L196 HydrophobicContact CB-CD2 3.87Å; L175-L196 HydrophobicContact CD2-CD1 3.98Å; L175-L196 HydrophobicContact CD2-CD2 4.09Å; L178-L196 HydrophobicContact CD2-CD1 4.15Å; F193-L196 HydrophobicContact CD1-CD1 4.16Å; F193-L196 PolarHBondContact O-N 2.77Å; E194-L196 PolarHBondContact O-N 3.31Å; L196-H198 PolarHBondContact O-N 3.13Å; L196-H198 VanDerWaalsContact O-N 3.13Å; L196-L199 HydrophobicContact CB-CB 4.1Å; L196-L199 HydrophobicContact CD1-CD1 4.46Å; L196-L199 HydrophobicContact CD1-CD2 4.29Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 2.9Å
197	P	92.2	Very high	93.7	Very high	71 Å²	71	51.1 Å²	51.1	46%	0.461	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.9	-172.7	28.7	-36.8	0	0	0	114	G195 Q219	G195-P197 WeakPolarHBondContact O-CD 3.47Å; P197-Q219 WeakPolarHBondContact O-CG 3.31Å
198	H	95.4	Very high	94.1	Very high	114 Å²	114	48.6 Å²	48.6	53%	0.528	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	7.9	-179.1	-63.4	-61.1	0	0	0	113.5	P173 L175 E176 L196 T200	P173-H198 PolarHBondContact O-CD2 2.92Å; L175-H198 CarbonylContact O-C 3.6Å; E176-H198 HydrophobicContact CG-CB 4.48Å; L196-H198 PolarHBondContact O-N 3.13Å; L196-H198 VanDerWaalsContact O-N 3.13Å; H198-T200 WeakPolarHBondContact O-CG2 3.37Å; H198-T200 PolarHBondContact O-N 3.17Å
199	L	97.1	Very high	94.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.			trans	-63.6	120.2	-177.7	-166.6	69.8	0	0	0	111	L175 L178 F193 L196 L202 L217 Q219 L220	L175-L199 PolarHBondContact O-N 3.31Å; L178-L199 HydrophobicContact CB-CD1 3.76Å; F193-L199 HydrophobicContact CD1-CD2 4.36Å; L196-L199 HydrophobicContact CB-CB 4.1Å; L196-L199 HydrophobicContact CD1-CD1 4.46Å; L196-L199 HydrophobicContact CD1-CD2 4.29Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 2.9Å; L199-L202 HydrophobicContact CD2-CB 4.25Å; L199-L202 HydrophobicContact CD2-CD1 4.48Å; L199-L202 HydrophobicContact CD2-CD2 4.37Å; L199-L217 HydrophobicContact CD2-CD2 4.41Å; L199-Q219 CarbonylContact O-C 3.03Å; L199-L220 HydrophobicContact CD2-CD1 4.23Å; L199-L220 HydrophobicContact CG-CD1 4.02Å; L199-L220 WeakPolarHBondContact O-CA 3.26Å; L199-L220 PolarHBondContact O-N 3.25Å
200	T	97.8	Very high	94.5	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.129	23%	0.234	C	C	.	.			trans	-113.1	-29.9	-179.1	58.5	0	0	0	0	113	E176 H198 L220 R221 V222	E176-T200 PolarHBondContact O-N 3.3Å; E176-T200 PolarHBondContact O-OG1 3.18Å; E176-T200 VanDerWaalsContact O-OG1 3.04Å; H198-T200 WeakPolarHBondContact O-CG2 3.37Å; H198-T200 PolarHBondContact O-N 3.17Å; T200-L220 WeakPolarHBondContact O-CD1 3.14Å; T200-R221 PolarHBondContact O-N 3.16Å; T200-V222 PolarHBondContact O-N 2.98Å
201	H	98.7	Very high	94.7	Very high	69 Å²	69	39.8 Å²	39.8	32%	0.319	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.7	179.8	-60	69.4	0	0	0	110.1	E176 Q177 L178 V222	E176-H201 PolarHBondContact O-N 2.92Å; Q177-H201 WeakPolarHBondContact CA-O 3.06Å; Q177-H201 HydrophobicContact CB-CB 4.3Å; Q177-H201 HydrophobicContact CG-CB 4.03Å; L178-H201 PolarHBondContact N-O 2.97Å; H201-V222 HydrophobicContact CB-CB 4.47Å; H201-V222 VanDerWaalsContact CD2-CG2 3.43Å; H201-V222 WeakPolarHBondContact CD2-CG2 3.27Å; H201-V222 WeakPolarHBondContact NE2-CG2 3.41Å
202	L	98.4	Very high	94.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.8	177.6	178.2	58.2	0	0	0	109.2	L178 L180 F193 L199 L204 L217 L220 V222 L223 D224	L178-L202 HydrophobicContact CB-CD1 4.1Å; L178-L202 HydrophobicContact CD2-CD1 3.99Å; L178-L202 HydrophobicContact CG-CD1 4.06Å; L178-L202 WeakPolarHBondContact O-CA 3.43Å; L180-L202 HydrophobicContact CD1-CD1 4.3Å; F193-L202 HydrophobicContact CE1-CD1 4.21Å; F193-L202 HydrophobicContact CE1-CD2 4.17Å; F193-L202 HydrophobicContact CE2-CD2 4.08Å; F193-L202 HydrophobicContact CZ-CD1 4.36Å; F193-L202 HydrophobicContact CZ-CD2 3.78Å; L199-L202 HydrophobicContact CD2-CB 4.25Å; L199-L202 HydrophobicContact CD2-CD1 4.48Å; L199-L202 HydrophobicContact CD2-CD2 4.37Å; L202-L204 HydrophobicContact CD1-CD1 4.49Å; L202-L204 HydrophobicContact CD1-CD2 4.49Å; L202-L204 HydrophobicContact CD1-CG 4.15Å; L202-L204 HydrophobicContact CD2-CD1 3.87Å; L202-L204 HydrophobicContact CD2-CG 4.39Å; L202-L204 HydrophobicContact CG-CD1 4.04Å; L202-L204 HydrophobicContact CG-CG 4.02Å; L202-L217 HydrophobicContact CD2-CD1 3.73Å; L202-L220 HydrophobicContact CB-CD1 3.71Å; L202-L220 HydrophobicContact CB-CD2 4.14Å; L202-V222 PolarHBondContact N-O 3.4Å; L202-L223 HydrophobicContact CB-CD1 4.15Å; L202-L223 HydrophobicContact CD2-CD1 4.03Å; L202-L223 HydrophobicContact CG-CD1 4.09Å; L202-L223 WeakPolarHBondContact O-CA 3.37Å; L202-D224 PolarHBondContact O-N 3.16Å
203	N	98.8	Very high	94.1	Very high	38 Å²	38	43.4 Å²	43.4	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.7	175.8	-172.9	-4.6	0	0	0	110.1	L178 D179 L180 H181 S205	L178-N203 PolarHBondContact O-N 3.26Å; D179-N203 PolarHBondContact OD1-ND2 3.06Å; L180-N203 CarbonylContact C-O 3.58Å; L180-N203 WeakPolarHBondContact CA-O 3.24Å; L180-N203 WeakPolarHBondContact CB-O 3.15Å; L180-N203 PolarHBondContact N-O 3.06Å; H181-N203 PolarHBondContact N-O 3.38Å; N203-S205 VanDerWaalsContact OD1-CB 3.29Å; N203-S205 WeakPolarHBondContact OD1-CB 3.31Å; N203-S205 PolarHBondContact OD1-N 3.01Å; N203-S205 PolarHBondContact OD1-OG 3.25Å
204	L	98.3	Very high	93.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	25%	0.247	C	C	.	.			trans	-117.2	18	176.7	-70.6	167.3	0	0	0	111.1	L180 L185 I188 L202 N207 L209 L223 D224 L225 N228	L180-L204 HydrophobicContact CB-CD2 3.93Å; L180-L204 HydrophobicContact CD1-CD2 3.85Å; L185-L204 HydrophobicContact CD1-CD2 3.68Å; I188-L204 HydrophobicContact CD1-CD1 3.89Å; I188-L204 HydrophobicContact CD1-CD2 4.38Å; L202-L204 HydrophobicContact CD1-CD1 4.49Å; L202-L204 HydrophobicContact CD1-CD2 4.49Å; L202-L204 HydrophobicContact CD1-CG 4.15Å; L202-L204 HydrophobicContact CD2-CD1 3.87Å; L202-L204 HydrophobicContact CD2-CG 4.39Å; L202-L204 HydrophobicContact CG-CD1 4.04Å; L202-L204 HydrophobicContact CG-CG 4.02Å; L204-N207 PolarHBondContact O-ND2 3.02Å; L204-L209 HydrophobicContact CB-CD1 4.28Å; L204-L209 HydrophobicContact CD1-CD1 4.33Å; L204-L223 HydrophobicContact CD1-CD1 4.43Å; L204-D224 CarbonylContact C-O 3.5Å; L204-D224 WeakPolarHBondContact CA-O 3.34Å; L204-D224 WeakPolarHBondContact CB-O 3Å; L204-D224 PolarHBondContact N-O 3.19Å; L204-L225 HydrophobicContact CB-CD2 3.85Å; L204-L225 HydrophobicContact CD1-CD2 3.82Å; L204-N228 PolarHBondContact O-ND2 3.49Å
205	S	98.6	Very high	93.1	Very high	13 Å²	13	40 Å²	40	9%	0.091	22%	0.219	C	C	.	.			trans	-62.5	152.8	-178.9	62.7	0	0	0	0	112.6	H181 S182 N203 N207 D224 S226	H181-S205 CarbonylContact C-O 3.47Å; H181-S205 WeakPolarHBondContact CA-O 3.24Å; H181-S205 WeakPolarHBondContact CB-O 3.04Å; H181-S205 VanDerWaalsContact CB-OG 3.27Å; H181-S205 WeakPolarHBondContact CB-OG 3.45Å; S182-S205 PolarHBondContact N-O 2.93Å; N203-S205 VanDerWaalsContact OD1-CB 3.29Å; N203-S205 WeakPolarHBondContact OD1-CB 3.31Å; N203-S205 PolarHBondContact OD1-N 3.01Å; N203-S205 PolarHBondContact OD1-OG 3.25Å; S205-N207 PolarHBondContact O-N 3.46Å; S205-N207 PolarHBondContact O-ND2 3.24Å; S205-D224 PolarHBondContact N-O 2.96Å; S205-S226 CarbonylContact C-O 3.43Å; S205-S226 WeakPolarHBondContact CA-O 3.23Å; S205-S226 WeakPolarHBondContact CB-OG 3.28Å
206	R	98.4	Very high	92.7	Very high	159 Å²	159	42 Å²	42	60%	0.6	23%	0.229	S	C	*	.	S	Bend	trans	54.4	53.9	179.4	-62.1	177.7	169.5	-175.4	-1.8	112.2	S182 N183 S226 C227	S182-R206 WeakPolarHBondContact CA-O 3.3Å; S182-R206 PolarHBondContact N-O 3.05Å; S182-R206 WeakPolarHBondContact OG-CD 3.34Å; N183-R206 PolarHBondContact N-O 3.47Å; R206-S226 PolarHBondContact N-O 3.4Å; R206-C227 VanDerWaalsContact CA-O 3.23Å; R206-C227 WeakPolarHBondContact CA-O 3.27Å; R206-C227 HydrophobicContact CB-CB 4.38Å; R206-C227 HydrophobicContact CG-CB 3.65Å; R206-C227 PolarHBondContact N-O 2.88Å
207	N	98.4	Very high	92.3	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.053	23%	0.233	C	C	.	.	S	Bend	trans	-119.5	-166	172.2	-85.7	-78.3	0	0	0	109.7	L180 N183 V184 L185 L204 S205 L209 N228	L180-N207 PolarHBondContact O-ND2 3.12Å; N183-N207 WeakPolarHBondContact CA-OD1 3.4Å; N183-N207 WeakPolarHBondContact CB-OD1 3.49Å; N183-N207 PolarHBondContact N-OD1 3.3Å; N183-N207 PolarHBondContact O-OD1 3.34Å; V184-N207 PolarHBondContact N-OD1 2.99Å; L185-N207 HydrophobicContact CB-CB 4.14Å; L185-N207 VanDerWaalsContact CB-OD1 3.24Å; L185-N207 WeakPolarHBondContact CB-OD1 3.48Å; L185-N207 VanDerWaalsContact CG-OD1 3.31Å; L185-N207 WeakPolarHBondContact CG-OD1 3.46Å; L185-N207 PolarHBondContact N-OD1 3.41Å; L204-N207 PolarHBondContact O-ND2 3.02Å; S205-N207 PolarHBondContact O-N 3.46Å; S205-N207 PolarHBondContact O-ND2 3.24Å; N207-L209 HydrophobicContact CB-CG 4.32Å; N207-N228 VanDerWaalsContact CA-OD1 3.24Å; N207-N228 WeakPolarHBondContact CA-OD1 3.27Å; N207-N228 WeakPolarHBondContact CB-OD1 3.2Å; N207-N228 PolarHBondContact N-OD1 2.85Å; N207-N228 PolarHBondContact O-OD1 2.92Å
208	S	97.2	Very high	92.1	Very high	50 Å²	50	42.1 Å²	42.1	35%	0.35	22%	0.224	S	C	.	.			trans	-119.9	30.8	-179.9	-60.9	0	0	0	0	111.7	L185 N228	L185-S208 CarbonylContact O-C 3.57Å; L185-S208 VanDerWaalsContact O-CA 3.27Å; L185-S208 WeakPolarHBondContact O-CA 3.37Å; L185-S208 PolarHBondContact O-N 3.42Å; S208-N228 PolarHBondContact N-OD1 3.29Å
209	L	95.8	Very high	92	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.221	C	C	.	.			trans	-68.4	136.4	178.5	-59	172.8	0	0	0	109.8	L185 I188 L204 N207 I212 L225 N228 S229 I230	L185-L209 HydrophobicContact CB-CD2 4.19Å; L185-L209 PolarHBondContact O-N 3.21Å; L185-L209 VanDerWaalsContact O-N 3.16Å; I188-L209 HydrophobicContact CD1-CD1 4.14Å; I188-L209 HydrophobicContact CD1-CD2 3.99Å; I188-L209 HydrophobicContact CG1-CD2 4.01Å; L204-L209 HydrophobicContact CB-CD1 4.28Å; L204-L209 HydrophobicContact CD1-CD1 4.33Å; N207-L209 HydrophobicContact CB-CG 4.32Å; L209-I212 HydrophobicContact CD1-CD1 4.44Å; L209-L225 HydrophobicContact CD1-CD2 3.79Å; L209-N228 HydrophobicContact CB-CB 4.3Å; L209-N228 WeakPolarHBondContact CB-OD1 3.17Å; L209-N228 WeakPolarHBondContact CG-OD1 3.44Å; L209-N228 PolarHBondContact N-OD1 3.21Å; L209-S229 CarbonylContact O-C 3.25Å; L209-S229 VanDerWaalsContact O-CA 3.26Å; L209-S229 WeakPolarHBondContact O-CA 3.33Å; L209-S229 PolarHBondContact O-N 3.28Å; L209-I230 HydrophobicContact CB-CD1 4.35Å; L209-I230 HydrophobicContact CB-CG1 4.01Å; L209-I230 WeakPolarHBondContact O-CG1 3.49Å; L209-I230 PolarHBondContact O-N 3.49Å; L209-I230 VanDerWaalsContact O-N 3.11Å
210	T	92.8	Very high	91.9	Very high	38 Å²	38	41.4 Å²	41.4	23%	0.233	22%	0.221	C	C	.	.			trans	-113.5	-29.6	-173	46.1	0	0	0	0	113.4	S229 I230 E231 E295	T210-S229 WeakPolarHBondContact CA-O 3.5Å; T210-I230 CarbonylContact O-C 3.18Å; T210-I230 VanDerWaalsContact O-CA 3.32Å; T210-I230 WeakPolarHBondContact O-CA 3.08Å; T210-E231 PolarHBondContact O-N 2.99Å; T210-E295 VanDerWaalsContact CB-CD 3.44Å; T210-E295 WeakPolarHBondContact CB-OE1 3.36Å; T210-E295 PolarHBondContact OG1-OE1 3.32Å; T210-E295 PolarHBondContact OG1-OE2 2.97Å
211	C	88.1	Confident	91.9	Very high	25 Å²	25	46.7 Å²	46.7	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.6	178.8	-172.6	0	0	0	0	110.6
212	I	88.4	Confident	91.9	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.108	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	100.9	167.5	-56.9	-62.6	0	0	0	107	L209 L225 I230 A232 F233 Q234	L209-I212 HydrophobicContact CD1-CD1 4.44Å; I212-L225 HydrophobicContact CG1-CD1 4.39Å; I212-I230 HydrophobicContact CG1-CD1 4.1Å; I212-I230 HydrophobicContact CG1-CG2 4.48Å; I212-A232 PolarHBondContact N-O 3.04Å; I212-F233 HydrophobicContact CB-CD2 3.84Å; I212-F233 HydrophobicContact CB-CE2 4.37Å; I212-F233 HydrophobicContact CG1-CD2 4.15Å; I212-F233 HydrophobicContact CG2-CD2 3.95Å; I212-F233 HydrophobicContact CG2-CE2 3.99Å; I212-Q234 PolarHBondContact O-N 3.24Å
213	S	77.9	Confident	91.9	Very high	68 Å²	68	45.1 Å²	45.1	48%	0.476	23%	0.234	S	C	.	.			trans	-91.2	-24.4	-176	53.9	0	0	0	0	113.5
214	D	78.7	Confident	91.9	Very high	81 Å²	81	44.4 Å²	44.4	43%	0.433	23%	0.23	S	C	.	.			trans	-144.5	135.2	174.6	-166.3	8.6	0	0	0	110.8	A236	D214-A236 WeakPolarHBondContact OD1-CA 3.4Å; D214-A236 VanDerWaalsContact OD1-CB 3.24Å; D214-A236 WeakPolarHBondContact OD1-CB 3.43Å; D214-A236 PolarHBondContact OD1-N 2.93Å
215	F	78.9	Confident	91.9	Very high	14 Å²	14	44.3 Å²	44.3	6%	0.061	23%	0.229	C	C	.	.			trans	-127.5	109.6	175.8	177.1	-97.6	0	0	0	108.4	L217 L220 L223 A236 F243	F215-L217 HydrophobicContact CE1-CB 4.35Å; F215-L217 HydrophobicContact CE2-CB 3.83Å; F215-L217 HydrophobicContact CE2-CD1 3.98Å; F215-L217 HydrophobicContact CE2-CG 4.36Å; F215-L217 HydrophobicContact CZ-CB 3.7Å; F215-L220 HydrophobicContact CE2-CD2 3.82Å; F215-L220 HydrophobicContact CZ-CB 4.25Å; F215-L220 HydrophobicContact CZ-CD2 3.67Å; F215-L223 HydrophobicContact CD2-CD2 4.03Å; F215-L223 HydrophobicContact CE2-CD2 3.52Å; F215-L223 HydrophobicContact CZ-CD2 4.12Å; F215-A236 PolarHBondContact O-N 3Å; F215-F243 HydrophobicContact CD1-CD1 4Å; F215-F243 AromaticContact CD1-CE1 3.69Å; F215-F243 HydrophobicContact CD1-CE1 3.69Å; F215-F243 HydrophobicContact CD1-CZ 4.29Å; F215-F243 AromaticContact CE1-CD1 3.7Å; F215-F243 HydrophobicContact CE1-CD1 3.7Å; F215-F243 AromaticContact CE1-CE1 3.82Å; F215-F243 HydrophobicContact CE1-CE1 3.82Å; F215-F243 WeakPolarHBondContact O-CE1 3.49Å; F215-F243 WeakPolarHBondContact O-CZ 3.49Å
216	S	82.3	Confident	91.9	Very high	69 Å²	69	43.9 Å²	43.9	48%	0.483	23%	0.226	S	C	.	.			trans	-115.2	5.3	-171.2	57.6	0	0	0	0	114.3	Q218	S216-Q218 PolarHBondContact O-N 3.47Å
217	L	86.5	Confident	91.9	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.12	21%	0.208	C	C	.	.			trans	-79.1	85.1	-177.7	-73.5	170	0	0	0	112.7	F193 L199 L202 F215 Q219 L220	F193-L217 HydrophobicContact CB-CD2 3.57Å; F193-L217 HydrophobicContact CB-CG 4.42Å; F193-L217 HydrophobicContact CD2-CD1 3.89Å; F193-L217 HydrophobicContact CD2-CD2 4.36Å; F193-L217 HydrophobicContact CD2-CG 4.34Å; F193-L217 HydrophobicContact CE2-CD1 4.32Å; F193-L217 HydrophobicContact CG-CD1 4.29Å; F193-L217 HydrophobicContact CG-CD2 4.18Å; L199-L217 HydrophobicContact CD2-CD2 4.41Å; L202-L217 HydrophobicContact CD2-CD1 3.73Å; F215-L217 HydrophobicContact CE1-CB 4.35Å; F215-L217 HydrophobicContact CE2-CB 3.83Å; F215-L217 HydrophobicContact CE2-CD1 3.98Å; F215-L217 HydrophobicContact CE2-CG 4.36Å; F215-L217 HydrophobicContact CZ-CB 3.7Å; L217-Q219 PolarHBondContact O-N 2.9Å; L217-L220 HydrophobicContact CB-CB 3.92Å; L217-L220 HydrophobicContact CB-CD2 4.36Å; L217-L220 HydrophobicContact CD1-CD2 4.03Å; L217-L220 WeakPolarHBondContact O-CB 3.31Å; L217-L220 PolarHBondContact O-N 2.96Å
218	Q	87.9	Confident	91.8	Very high	57 Å²	57	37.9 Å²	37.9	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.3	-173.1	-68	176.2	-1.7	0	0	115	S216 L220 F243 Q244	S216-Q218 PolarHBondContact O-N 3.47Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-F243 HydrophobicContact CG-CD1 4.44Å; Q218-F243 HydrophobicContact CG-CE1 4.31Å; Q218-Q244 WeakPolarHBondContact O-CB 3.43Å; Q218-Q244 WeakPolarHBondContact O-CG 3.19Å; Q218-Q244 PolarHBondContact O-N 2.72Å
219	Q	92.1	Very high	91.8	Very high	100 Å²	100	37.2 Å²	37.2	47%	0.467	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.5	-176.9	-65	-62.7	-19.9	0	0	113.9	P197 L199 L217 R221	P197-Q219 WeakPolarHBondContact O-CG 3.31Å; L199-Q219 CarbonylContact O-C 3.03Å; L217-Q219 PolarHBondContact O-N 2.9Å; Q219-R221 PolarHBondContact O-N 3.3Å
220	L	95.9	Very high	91.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.			trans	-64.8	134.2	-175.9	-163.4	75	0	0	0	110.2	L199 T200 L202 F215 L217 Q218 L223 Q244 L245	L199-L220 HydrophobicContact CD2-CD1 4.23Å; L199-L220 HydrophobicContact CG-CD1 4.02Å; L199-L220 WeakPolarHBondContact O-CA 3.26Å; L199-L220 PolarHBondContact O-N 3.25Å; T200-L220 WeakPolarHBondContact O-CD1 3.14Å; L202-L220 HydrophobicContact CB-CD1 3.71Å; L202-L220 HydrophobicContact CB-CD2 4.14Å; F215-L220 HydrophobicContact CE2-CD2 3.82Å; F215-L220 HydrophobicContact CZ-CB 4.25Å; F215-L220 HydrophobicContact CZ-CD2 3.67Å; L217-L220 HydrophobicContact CB-CB 3.92Å; L217-L220 HydrophobicContact CB-CD2 4.36Å; L217-L220 HydrophobicContact CD1-CD2 4.03Å; L217-L220 WeakPolarHBondContact O-CB 3.31Å; L217-L220 PolarHBondContact O-N 2.96Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; L220-L223 HydrophobicContact CD2-CB 3.73Å; L220-L223 HydrophobicContact CD2-CD1 3.97Å; L220-L223 HydrophobicContact CD2-CD2 4.3Å; L220-L223 HydrophobicContact CD2-CG 4.21Å; L220-Q244 CarbonylContact O-C 3.57Å; L220-L245 HydrophobicContact CB-CD1 4.31Å; L220-L245 HydrophobicContact CD2-CD1 4.03Å; L220-L245 HydrophobicContact CG-CD1 4.08Å; L220-L245 WeakPolarHBondContact O-CA 3.18Å; L220-L245 PolarHBondContact O-N 3.1Å
221	R	97.3	Very high	91.8	Very high	132 Å²	132	35.8 Å²	35.8	50%	0.498	19%	0.194	S	C	.	.			trans	-109.8	-33.9	-179.3	-63	-175.1	-175.8	175.5	2.7	112.3	T200 Q219 Q244 T246 W247	T200-R221 PolarHBondContact O-N 3.16Å; Q219-R221 PolarHBondContact O-N 3.3Å; R221-Q244 HydrophobicContact CG-CB 4.41Å; R221-T246 PolarHBondContact O-N 3.13Å; R221-T246 PolarHBondContact O-OG1 3.04Å; R221-W247 PolarHBondContact O-N 2.8Å
222	V	98.6	Very high	91.9	Very high	37 Å²	37	34.7 Å²	34.7	22%	0.224	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.9	-177.4	-176.9	0	0	0	0	109.2	T200 H201 L202 W247	T200-V222 PolarHBondContact O-N 2.98Å; H201-V222 HydrophobicContact CB-CB 4.47Å; H201-V222 VanDerWaalsContact CD2-CG2 3.43Å; H201-V222 WeakPolarHBondContact CD2-CG2 3.27Å; H201-V222 WeakPolarHBondContact NE2-CG2 3.41Å; L202-V222 PolarHBondContact N-O 3.4Å; V222-W247 HydrophobicContact CB-CB 4.5Å; V222-W247 HydrophobicContact CG1-CB 4.33Å; V222-W247 HydrophobicContact CG1-CD2 4.01Å; V222-W247 HydrophobicContact CG1-CE3 3.55Å; V222-W247 HydrophobicContact CG1-CG 4.36Å; V222-W247 HydrophobicContact CG1-CZ3 4.1Å; V222-W247 HydrophobicContact CG2-CB 4.18Å
223	L	98.1	Very high	92	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.9	175.6	-179.6	57.5	0	0	0	110.2	L202 L204 F215 L220 L225 F233 L245 W247 L248 D249	L202-L223 HydrophobicContact CB-CD1 4.15Å; L202-L223 HydrophobicContact CD2-CD1 4.03Å; L202-L223 HydrophobicContact CG-CD1 4.09Å; L202-L223 WeakPolarHBondContact O-CA 3.37Å; L204-L223 HydrophobicContact CD1-CD1 4.43Å; F215-L223 HydrophobicContact CD2-CD2 4.03Å; F215-L223 HydrophobicContact CE2-CD2 3.52Å; F215-L223 HydrophobicContact CZ-CD2 4.12Å; L220-L223 HydrophobicContact CD2-CB 3.73Å; L220-L223 HydrophobicContact CD2-CD1 3.97Å; L220-L223 HydrophobicContact CD2-CD2 4.3Å; L220-L223 HydrophobicContact CD2-CG 4.21Å; L223-L225 HydrophobicContact CD1-CD1 4.41Å; L223-L225 HydrophobicContact CD1-CG 4.09Å; L223-L225 HydrophobicContact CD2-CD1 3.71Å; L223-L225 HydrophobicContact CD2-CG 4.27Å; L223-L225 HydrophobicContact CG-CD1 3.96Å; L223-L225 HydrophobicContact CG-CG 3.97Å; L223-F233 HydrophobicContact CD2-CE2 4.49Å; L223-L245 HydrophobicContact CB-CD1 3.81Å; L223-L245 HydrophobicContact CB-CD2 4.46Å; L223-W247 PolarHBondContact N-O 3.43Å; L223-W247 VanDerWaalsContact O-CZ3 3.3Å; L223-W247 WeakPolarHBondContact O-CZ3 3.45Å; L223-L248 HydrophobicContact CB-CD1 4.01Å; L223-L248 HydrophobicContact CD2-CD1 3.83Å; L223-L248 HydrophobicContact CG-CD1 3.96Å; L223-L248 WeakPolarHBondContact O-CA 2.98Å; L223-D249 PolarHBondContact O-N 3.46Å; L223-D249 VanDerWaalsContact O-N 3.07Å
224	D	98.8	Very high	92.3	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.123	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.3	173.2	-164.2	-23.1	0	0	0	110.2	L202 L204 S205 S226 W247	L202-D224 PolarHBondContact O-N 3.16Å; L204-D224 CarbonylContact C-O 3.5Å; L204-D224 WeakPolarHBondContact CA-O 3.34Å; L204-D224 WeakPolarHBondContact CB-O 3Å; L204-D224 PolarHBondContact N-O 3.19Å; S205-D224 PolarHBondContact N-O 2.96Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 3.05Å; D224-S226 PolarHBondContact OD1-OG 3.43Å; D224-W247 HydrophobicContact CB-CH2 4.19Å; D224-W247 HydrophobicContact CB-CZ3 3.78Å
225	L	98.2	Very high	92.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	15%	0.146	C	C	.	.			trans	-117.1	17.4	175.5	-73.1	166.6	0	0	0	111.1	L204 L209 I212 L223 N228 I230 F233 L248 D249 L250 N253	L204-L225 HydrophobicContact CB-CD2 3.85Å; L204-L225 HydrophobicContact CD1-CD2 3.82Å; L209-L225 HydrophobicContact CD1-CD2 3.79Å; I212-L225 HydrophobicContact CG1-CD1 4.39Å; L223-L225 HydrophobicContact CD1-CD1 4.41Å; L223-L225 HydrophobicContact CD1-CG 4.09Å; L223-L225 HydrophobicContact CD2-CD1 3.71Å; L223-L225 HydrophobicContact CD2-CG 4.27Å; L223-L225 HydrophobicContact CG-CD1 3.96Å; L223-L225 HydrophobicContact CG-CG 3.97Å; L225-N228 PolarHBondContact O-ND2 3.14Å; L225-I230 HydrophobicContact CB-CD1 3.88Å; L225-I230 HydrophobicContact CD1-CD1 4.25Å; L225-I230 HydrophobicContact CD2-CD1 4.03Å; L225-I230 HydrophobicContact CG-CD1 4.28Å; L225-F233 HydrophobicContact CD1-CD2 4.06Å; L225-F233 HydrophobicContact CD1-CE2 3.76Å; L225-L248 HydrophobicContact CD1-CD1 4.45Å; L225-D249 CarbonylContact C-O 3.44Å; L225-D249 WeakPolarHBondContact CA-O 3.47Å; L225-D249 WeakPolarHBondContact CB-O 3.23Å; L225-D249 PolarHBondContact N-O 3.18Å; L225-L250 HydrophobicContact CB-CD2 3.77Å; L225-L250 HydrophobicContact CD1-CD2 3.85Å; L225-L250 HydrophobicContact CG-CD2 4.48Å; L225-N253 PolarHBondContact O-ND2 2.6Å
226	S	98.6	Very high	92.6	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.035	15%	0.151	C	C	.	.			trans	-63.2	155.6	-177.1	61.7	0	0	0	0	113.3	S205 R206 D224 N228 D249 R251	S205-S226 CarbonylContact C-O 3.43Å; S205-S226 WeakPolarHBondContact CA-O 3.23Å; S205-S226 WeakPolarHBondContact CB-OG 3.28Å; R206-S226 PolarHBondContact N-O 3.4Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 3.05Å; D224-S226 PolarHBondContact OD1-OG 3.43Å; S226-N228 VanDerWaalsContact C-N 3.33Å; S226-N228 PolarHBondContact O-N 3.32Å; S226-N228 PolarHBondContact O-ND2 3.41Å; S226-D249 PolarHBondContact N-O 3.2Å; S226-R251 CarbonylContact C-O 3.35Å; S226-R251 VanDerWaalsContact CA-O 3.23Å; S226-R251 WeakPolarHBondContact CA-O 3.42Å
227	C	98.4	Very high	91.7	Very high	33 Å²	33	28.7 Å²	28.7	22%	0.223	15%	0.153	C	C	.	.	S	Bend	trans	54.8	45.4	177.5	-50.6	0	0	0	0	112.9	R206 R251 E252	R206-C227 VanDerWaalsContact CA-O 3.23Å; R206-C227 WeakPolarHBondContact CA-O 3.27Å; R206-C227 HydrophobicContact CB-CB 4.38Å; R206-C227 HydrophobicContact CG-CB 3.65Å; R206-C227 PolarHBondContact N-O 2.88Å; C227-R251 PolarHBondContact N-O 3.01Å; C227-E252 VanDerWaalsContact CA-O 3.23Å; C227-E252 WeakPolarHBondContact CA-O 3.5Å; C227-E252 HydrophobicContact CB-CB 4.49Å; C227-E252 PolarHBondContact N-O 3.05Å; C227-E252 PolarHBondContact SG-OE2 2.98Å
228	N	98.3	Very high	90.9	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.053	19%	0.187	C	C	.	.	S	Bend	trans	-112.3	-164.5	172.2	-84.9	-84.6	0	0	0	109.6	L204 N207 S208 L209 L225 S226 I230 E252 N253	L204-N228 PolarHBondContact O-ND2 3.49Å; N207-N228 VanDerWaalsContact CA-OD1 3.24Å; N207-N228 WeakPolarHBondContact CA-OD1 3.27Å; N207-N228 WeakPolarHBondContact CB-OD1 3.2Å; N207-N228 PolarHBondContact N-OD1 2.85Å; N207-N228 PolarHBondContact O-OD1 2.92Å; S208-N228 PolarHBondContact N-OD1 3.29Å; L209-N228 HydrophobicContact CB-CB 4.3Å; L209-N228 WeakPolarHBondContact CB-OD1 3.17Å; L209-N228 WeakPolarHBondContact CG-OD1 3.44Å; L209-N228 PolarHBondContact N-OD1 3.21Å; L225-N228 PolarHBondContact O-ND2 3.14Å; S226-N228 VanDerWaalsContact C-N 3.33Å; S226-N228 PolarHBondContact O-N 3.32Å; S226-N228 PolarHBondContact O-ND2 3.41Å; N228-I230 HydrophobicContact CB-CD1 4.01Å; N228-I230 HydrophobicContact CB-CG1 3.89Å; N228-E252 PolarHBondContact N-O 2.89Å; N228-N253 VanDerWaalsContact CA-OD1 3.29Å; N228-N253 WeakPolarHBondContact CA-OD1 3.23Å; N228-N253 WeakPolarHBondContact CB-OD1 3.4Å; N228-N253 PolarHBondContact N-OD1 2.93Å; N228-N253 PolarHBondContact O-OD1 2.71Å
229	S	97	Very high	90	Very high	35 Å²	35	35.8 Å²	35.8	25%	0.245	19%	0.19	C	C	.	.			trans	-118.2	31.4	172.8	-75	0	0	0	0	111.6	L209 T210 E231 N253	L209-S229 CarbonylContact O-C 3.25Å; L209-S229 VanDerWaalsContact O-CA 3.26Å; L209-S229 WeakPolarHBondContact O-CA 3.33Å; L209-S229 PolarHBondContact O-N 3.28Å; T210-S229 WeakPolarHBondContact CA-O 3.5Å; S229-E231 PolarHBondContact O-N 3.33Å; S229-N253 PolarHBondContact N-OD1 2.99Å
230	I	95.8	Very high	89	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.			trans	-68.8	119	-173	-59.5	166.4	0	0	0	109.6	L209 T210 I212 L225 N228 A232 L250 N253 K254 L255	L209-I230 HydrophobicContact CB-CD1 4.35Å; L209-I230 HydrophobicContact CB-CG1 4.01Å; L209-I230 WeakPolarHBondContact O-CG1 3.49Å; L209-I230 PolarHBondContact O-N 3.49Å; L209-I230 VanDerWaalsContact O-N 3.11Å; T210-I230 CarbonylContact O-C 3.18Å; T210-I230 VanDerWaalsContact O-CA 3.32Å; T210-I230 WeakPolarHBondContact O-CA 3.08Å; I212-I230 HydrophobicContact CG1-CD1 4.1Å; I212-I230 HydrophobicContact CG1-CG2 4.48Å; L225-I230 HydrophobicContact CB-CD1 3.88Å; L225-I230 HydrophobicContact CD1-CD1 4.25Å; L225-I230 HydrophobicContact CD2-CD1 4.03Å; L225-I230 HydrophobicContact CG-CD1 4.28Å; N228-I230 HydrophobicContact CB-CD1 4.01Å; N228-I230 HydrophobicContact CB-CG1 3.89Å; I230-A232 WeakPolarHBondContact CG2-O 3.05Å; I230-L250 HydrophobicContact CD1-CD2 4.19Å; I230-N253 HydrophobicContact CB-CB 4.36Å; I230-N253 VanDerWaalsContact CB-OD1 3.28Å; I230-N253 WeakPolarHBondContact CB-OD1 3.5Å; I230-N253 WeakPolarHBondContact CG1-OD1 3.24Å; I230-N253 PolarHBondContact N-OD1 3.34Å; I230-K254 CarbonylContact O-C 3.43Å; I230-K254 WeakPolarHBondContact O-CA 3.32Å; I230-K254 PolarHBondContact O-N 2.78Å; I230-L255 HydrophobicContact CG2-CD2 3.98Å; I230-L255 PolarHBondContact O-N 3.05Å; I230-L255 VanDerWaalsContact O-N 3.09Å
231	E	93.1	Very high	88.2	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.056	23%	0.229	C	C	.	.	S	Bend	trans	-92.2	-28.5	177.3	-65	-176.9	-177.2	0	0	112.3	T210 S229 K254 A292 P293 S294	T210-E231 PolarHBondContact O-N 2.99Å; S229-E231 PolarHBondContact O-N 3.33Å; E231-K254 HydrophobicContact CG-CB 3.91Å; E231-A292 HydrophobicContact CB-CB 3.68Å; E231-A292 WeakPolarHBondContact OE2-CA 3.25Å; E231-P293 WeakPolarHBondContact OE2-CD 3.26Å; E231-P293 VanDerWaalsContact OE2-N 3.13Å; E231-S294 WeakPolarHBondContact OE1-CB 3.43Å; E231-S294 PolarHBondContact OE1-OG 3.24Å; E231-S294 PolarHBondContact OE2-N 3.15Å
232	A	88.9	Confident	87.6	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138	-178.9	0	0	0	0	0	111.5	I212 I230 I290 A292 W297	I212-A232 PolarHBondContact N-O 3.04Å; I230-A232 WeakPolarHBondContact CG2-O 3.05Å; A232-I290 HydrophobicContact CB-CG2 3.56Å; A232-A292 HydrophobicContact CB-CB 4.26Å; A232-W297 HydrophobicContact CB-CE3 3.99Å; A232-W297 HydrophobicContact CB-CZ3 3.63Å
233	F	90.6	Very high	87.2	Confident	3 Å²	3	40 Å²	40	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.6	174	-179.9	-87.4	0	0	0	109.6	I212 L223 L225 T235 L248 L250 L255 P259 L261	I212-F233 HydrophobicContact CB-CD2 3.84Å; I212-F233 HydrophobicContact CB-CE2 4.37Å; I212-F233 HydrophobicContact CG1-CD2 4.15Å; I212-F233 HydrophobicContact CG2-CD2 3.95Å; I212-F233 HydrophobicContact CG2-CE2 3.99Å; L223-F233 HydrophobicContact CD2-CE2 4.49Å; L225-F233 HydrophobicContact CD1-CD2 4.06Å; L225-F233 HydrophobicContact CD1-CE2 3.76Å; F233-T235 HydrophobicContact CE1-CG2 3.84Å; F233-T235 HydrophobicContact CZ-CG2 4.35Å; F233-L248 HydrophobicContact CE1-CD2 4.15Å; F233-L248 HydrophobicContact CZ-CD2 4.13Å; F233-L250 HydrophobicContact CB-CD1 4.43Å; F233-L250 HydrophobicContact CD1-CD1 4.49Å; F233-L250 HydrophobicContact CD2-CD1 4.35Å; F233-L250 HydrophobicContact CD2-CD2 4.13Å; F233-L250 HydrophobicContact CG-CD1 4.17Å; F233-L255 HydrophobicContact CB-CD2 4.32Å; F233-P259 HydrophobicContact CB-CB 4.44Å; F233-P259 HydrophobicContact CB-CG 4.47Å; F233-P259 HydrophobicContact CD1-CB 4.02Å; F233-L261 HydrophobicContact CD1-CD2 4.48Å; F233-L261 HydrophobicContact CE1-CD2 4.17Å
234	Q	85.2	Confident	87	Confident	21 Å²	21	41.6 Å²	41.6	10%	0.098	23%	0.229	C	C	.	.			trans	-135.2	136.9	178.9	-171.6	166.9	35	0	0	111	I212 W297	I212-Q234 PolarHBondContact O-N 3.24Å; Q234-W297 HydrophobicContact CB-CH2 4.43Å
235	T	84.1	Confident	86.8	Confident	8 Å²	8	40.6 Å²	40.6	5%	0.049	22%	0.223	C	C	.	.			trans	-92.9	157.1	172.9	57	0	0	0	0	111.7	F233 S237 A263 L264	F233-T235 HydrophobicContact CE1-CG2 3.84Å; F233-T235 HydrophobicContact CZ-CG2 4.35Å; T235-S237 PolarHBondContact O-N 3.29Å; T235-A263 WeakPolarHBondContact OG1-CB 3.49Å; T235-L264 HydrophobicContact CG2-CD1 4.04Å; T235-L264 HydrophobicContact CG2-CD2 4.13Å; T235-L264 HydrophobicContact CG2-CG 4.03Å
236	A	79.4	Confident	86.7	Confident	21 Å²	21	42.6 Å²	42.6	17%	0.174	24%	0.236	C	C	.	.			trans	-53.5	130.9	173.2	0	0	0	0	0	111.9	D214 F215 Q238 F243	D214-A236 WeakPolarHBondContact OD1-CA 3.4Å; D214-A236 VanDerWaalsContact OD1-CB 3.24Å; D214-A236 WeakPolarHBondContact OD1-CB 3.43Å; D214-A236 PolarHBondContact OD1-N 2.93Å; F215-A236 PolarHBondContact O-N 3Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.05Å; A236-F243 HydrophobicContact CB-CZ 4.18Å
237	S	62.3	Low	86.7	Confident	75 Å²	75	45.4 Å²	45.4	52%	0.524	25%	0.245	S	C	.	.	S	Bend	trans	-70.7	-24.5	-171.6	-41	0	0	0	0	114.8	T235 L302	T235-S237 PolarHBondContact O-N 3.29Å; S237-L302 WeakPolarHBondContact OG-CD1 3.48Å; S237-L302 VanDerWaalsContact OG-CD2 3.24Å; S237-L302 WeakPolarHBondContact OG-CD2 3.19Å
238	Q	69.3	Low	86.7	Confident	179 Å²	179	43.9 Å²	43.9	84%	0.836	24%	0.235	S	C	*	.	S	Bend	trans	-140.8	80.5	-178.3	-69.9	-174.9	-7.7	0	0	109.6	A236	A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.05Å
239	P	69.1	Low	86.7	Confident	50 Å²	50	43.4 Å²	43.4	33%	0.325	23%	0.232	S	C	.	.			trans	-70.6	138.1	179.6	32.1	-35.8	0	0	0	110	A241 F243	P239-A241 WeakPolarHBondContact CB-O 3.44Å; P239-A241 PolarHBondContact O-N 3.24Å; P239-F243 HydrophobicContact CB-CD2 4.02Å; P239-F243 HydrophobicContact CB-CE2 3.44Å; P239-F243 VanDerWaalsContact CB-CE2 3.44Å; P239-F243 HydrophobicContact CB-CZ 3.95Å; P239-F243 HydrophobicContact CG-CD2 4.16Å; P239-F243 HydrophobicContact CG-CE2 3.8Å
240	Q	71.9	Confident	86.8	Confident	191 Å²	191	41.7 Å²	41.7	89%	0.893	22%	0.221	S	C	*	.	S	Bend	trans	-66.6	-24	177.4	-63.4	-179.9	-5	0	0	112.2
241	A	79.8	Confident	86.9	Confident	48 Å²	48	45.7 Å²	45.7	40%	0.397	24%	0.236	S	C	.	.	S	Bend	trans	-145.5	160.5	174.3	0	0	0	0	0	110.7	P239 F243	P239-A241 WeakPolarHBondContact CB-O 3.44Å; P239-A241 PolarHBondContact O-N 3.24Å; A241-F243 PolarHBondContact O-N 3.43Å
242	E	84.1	Confident	87.2	Confident	116 Å²	116	49.7 Å²	49.7	54%	0.542	25%	0.254	S	S	.	.			trans	-62	130.2	179.1	-65.4	-179.8	176.4	0	0	112.3	Q244 R266	E242-Q244 PolarHBondContact O-N 2.9Å; E242-Q244 PolarHBondContact O-NE2 3.4Å; E242-R266 IonicContact OE2-NE 3.06Å; E242-R266 IonicContact OE2-NH2 2.98Å; E242-R266 PolarHBondContact OE2-NH2 2.94Å
243	F	89.8	Confident	87.6	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	26%	0.257	C	S	.	.			trans	-62.1	134.1	169.5	-68.2	-80	0	0	0	110.9	F215 Q218 A236 P239 A241 L245 A263 L264	F215-F243 HydrophobicContact CD1-CD1 4Å; F215-F243 AromaticContact CD1-CE1 3.69Å; F215-F243 HydrophobicContact CD1-CE1 3.69Å; F215-F243 HydrophobicContact CD1-CZ 4.29Å; F215-F243 AromaticContact CE1-CD1 3.7Å; F215-F243 HydrophobicContact CE1-CD1 3.7Å; F215-F243 AromaticContact CE1-CE1 3.82Å; F215-F243 HydrophobicContact CE1-CE1 3.82Å; F215-F243 WeakPolarHBondContact O-CE1 3.49Å; F215-F243 WeakPolarHBondContact O-CZ 3.49Å; Q218-F243 HydrophobicContact CG-CD1 4.44Å; Q218-F243 HydrophobicContact CG-CE1 4.31Å; A236-F243 HydrophobicContact CB-CZ 4.18Å; P239-F243 HydrophobicContact CB-CD2 4.02Å; P239-F243 HydrophobicContact CB-CE2 3.44Å; P239-F243 VanDerWaalsContact CB-CE2 3.44Å; P239-F243 HydrophobicContact CB-CZ 3.95Å; P239-F243 HydrophobicContact CG-CD2 4.16Å; P239-F243 HydrophobicContact CG-CE2 3.8Å; A241-F243 PolarHBondContact O-N 3.43Å; F243-L245 VanDerWaalsContact C-N 3.29Å; F243-A263 HydrophobicContact CD2-CB 4.21Å; F243-A263 VanDerWaalsContact CD2-O 3.26Å; F243-A263 WeakPolarHBondContact CD2-O 3.45Å; F243-A263 HydrophobicContact CE2-CB 4.15Å; F243-L264 HydrophobicContact CB-CD2 3.61Å; F243-L264 HydrophobicContact CD1-CD2 4.44Å; F243-L264 HydrophobicContact CD2-CD2 3.97Å; F243-L264 HydrophobicContact CG-CD2 3.77Å
244	Q	93.6	Very high	87.9	Confident	38 Å²	38	54.4 Å²	54.4	18%	0.178	28%	0.275	C	S	.	.			trans	-89.8	9.9	178.9	-59.2	-54.9	-55	0	0	113.3	Q218 L220 R221 E242 T246 R266	Q218-Q244 WeakPolarHBondContact O-CB 3.43Å; Q218-Q244 WeakPolarHBondContact O-CG 3.19Å; Q218-Q244 PolarHBondContact O-N 2.72Å; L220-Q244 CarbonylContact O-C 3.57Å; R221-Q244 HydrophobicContact CG-CB 4.41Å; E242-Q244 PolarHBondContact O-N 2.9Å; E242-Q244 PolarHBondContact O-NE2 3.4Å; Q244-T246 PolarHBondContact O-N 2.04Å; Q244-R266 VanDerWaalsContact OE1-CZ 3.24Å
245	L	95	Very high	88.4	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.271	C	S	.	.			trans	-67	124.3	-173.4	-161.3	74.5	0	0	0	110.9	L220 L223 F243 L248 L264 R266 L267	L220-L245 HydrophobicContact CB-CD1 4.31Å; L220-L245 HydrophobicContact CD2-CD1 4.03Å; L220-L245 HydrophobicContact CG-CD1 4.08Å; L220-L245 WeakPolarHBondContact O-CA 3.18Å; L220-L245 PolarHBondContact O-N 3.1Å; L223-L245 HydrophobicContact CB-CD1 3.81Å; L223-L245 HydrophobicContact CB-CD2 4.46Å; F243-L245 VanDerWaalsContact C-N 3.29Å; L245-L248 HydrophobicContact CD2-CB 4.05Å; L245-L248 HydrophobicContact CD2-CD1 4.32Å; L245-L248 HydrophobicContact CD2-CD2 4.37Å; L245-L248 HydrophobicContact CD2-CG 4.49Å; L245-L264 HydrophobicContact CB-CD2 4.24Å; L245-L264 HydrophobicContact CD2-CD1 3.95Å; L245-L264 HydrophobicContact CD2-CD2 4.44Å; L245-R266 CarbonylContact O-C 3.57Å; L245-R266 VanDerWaalsContact O-C 3.23Å; L245-L267 HydrophobicContact CD2-CD1 4.39Å; L245-L267 HydrophobicContact CG-CD1 4.44Å; L245-L267 WeakPolarHBondContact O-CA 3.29Å; L245-L267 PolarHBondContact O-N 3.38Å
246	T	96.9	Very high	88.7	Confident	45 Å²	45	55.2 Å²	55.2	28%	0.276	28%	0.28	S	S	.	.			trans	-115	-25.6	-178.8	59.7	0	0	0	0	112.7	R221 Q244 I268 Y269	R221-T246 PolarHBondContact O-N 3.13Å; R221-T246 PolarHBondContact O-OG1 3.04Å; Q244-T246 PolarHBondContact O-N 2.04Å; T246-I268 HydrophobicContact CG2-CD1 4.32Å; T246-I268 WeakPolarHBondContact O-CA 3.13Å; T246-I268 PolarHBondContact O-N 3.41Å; T246-Y269 PolarHBondContact O-N 2.99Å
247	W	98.5	Very high	89.1	Confident	64 Å²	64	58 Å²	58	24%	0.242	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.7	-176.7	-170.6	103.9	0	0	0	109.4	R221 V222 L223 D224 D249 Y269	R221-W247 PolarHBondContact O-N 2.8Å; V222-W247 HydrophobicContact CB-CB 4.5Å; V222-W247 HydrophobicContact CG1-CB 4.33Å; V222-W247 HydrophobicContact CG1-CD2 4.01Å; V222-W247 HydrophobicContact CG1-CE3 3.55Å; V222-W247 HydrophobicContact CG1-CG 4.36Å; V222-W247 HydrophobicContact CG1-CZ3 4.1Å; V222-W247 HydrophobicContact CG2-CB 4.18Å; L223-W247 PolarHBondContact N-O 3.43Å; L223-W247 VanDerWaalsContact O-CZ3 3.3Å; L223-W247 WeakPolarHBondContact O-CZ3 3.45Å; D224-W247 HydrophobicContact CB-CH2 4.19Å; D224-W247 HydrophobicContact CB-CZ3 3.78Å; W247-D249 HydrophobicContact CE3-CB 4.14Å; W247-D249 HydrophobicContact CH2-CB 3.1Å; W247-D249 WeakPolarHBondContact CH2-OD2 3.37Å; W247-D249 HydrophobicContact CZ2-CB 3.8Å; W247-D249 HydrophobicContact CZ3-CB 3.29Å; W247-Y269 AromaticContact CD1-CD1 3.25Å; W247-Y269 AromaticContact CD1-CE1 3.98Å; W247-Y269 AromaticContact CD1-CG 3.41Å; W247-Y269 VanDerWaalsContact CD1-CG 3.41Å; W247-Y269 AromaticContact CD2-CD1 3.86Å; W247-Y269 HydrophobicContact CD2-CD1 3.86Å; W247-Y269 HydrophobicContact CD2-CE1 4.22Å; W247-Y269 AromaticContact CE2-CD1 3.48Å; W247-Y269 VanDerWaalsContact CE2-CD1 3.48Å; W247-Y269 AromaticContact CE2-CE1 3.45Å; W247-Y269 VanDerWaalsContact CE2-CE1 3.45Å; W247-Y269 AromaticContact CG-CD1 3.74Å; W247-Y269 HydrophobicContact CG-CD1 3.74Å; W247-Y269 HydrophobicContact CG-CG 4.19Å; W247-Y269 HydrophobicContact CZ2-CD1 4.22Å; W247-Y269 AromaticContact CZ2-CE1 3.73Å; W247-Y269 HydrophobicContact CZ2-CE1 3.73Å; W247-Y269 AromaticContact NE1-CD1 3.04Å; W247-Y269 AromaticContact NE1-CE1 3.26Å; W247-Y269 VanDerWaalsContact NE1-CE1 3.26Å; W247-Y269 AromaticContact NE1-CG 3.47Å; W247-Y269 AromaticContact NE1-CZ 3.88Å
248	L	98.1	Very high	90.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126	177.5	178.8	58.6	0	0	0	109.7	L223 L225 F233 L245 L250 L261 L264 L267 Y269 L270 N271	L223-L248 HydrophobicContact CB-CD1 4.01Å; L223-L248 HydrophobicContact CD2-CD1 3.83Å; L223-L248 HydrophobicContact CG-CD1 3.96Å; L223-L248 WeakPolarHBondContact O-CA 2.98Å; L225-L248 HydrophobicContact CD1-CD1 4.45Å; F233-L248 HydrophobicContact CE1-CD2 4.15Å; F233-L248 HydrophobicContact CZ-CD2 4.13Å; L245-L248 HydrophobicContact CD2-CB 4.05Å; L245-L248 HydrophobicContact CD2-CD1 4.32Å; L245-L248 HydrophobicContact CD2-CD2 4.37Å; L245-L248 HydrophobicContact CD2-CG 4.49Å; L248-L250 HydrophobicContact CD1-CD1 4.33Å; L248-L250 HydrophobicContact CD1-CG 4.18Å; L248-L250 HydrophobicContact CD2-CD1 3.84Å; L248-L250 HydrophobicContact CG-CD1 4Å; L248-L250 HydrophobicContact CG-CG 4.18Å; L248-L261 HydrophobicContact CD2-CD2 4.14Å; L248-L264 HydrophobicContact CD2-CD1 4.42Å; L248-L267 HydrophobicContact CB-CD1 3.81Å; L248-Y269 PolarHBondContact N-O 3.46Å; L248-L270 HydrophobicContact CB-CD1 4.13Å; L248-L270 HydrophobicContact CD2-CD1 4.02Å; L248-L270 HydrophobicContact CG-CD1 4.07Å; L248-L270 WeakPolarHBondContact O-CA 3.33Å; L248-N271 PolarHBondContact O-N 2.88Å; L248-N271 VanDerWaalsContact O-N 3.12Å
249	D	98.8	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120	175.2	-169.2	-8.2	0	0	0	110.4	L223 L225 S226 W247 R251	L223-D249 PolarHBondContact O-N 3.46Å; L223-D249 VanDerWaalsContact O-N 3.07Å; L225-D249 CarbonylContact C-O 3.44Å; L225-D249 WeakPolarHBondContact CA-O 3.47Å; L225-D249 WeakPolarHBondContact CB-O 3.23Å; L225-D249 PolarHBondContact N-O 3.18Å; S226-D249 PolarHBondContact N-O 3.2Å; W247-D249 HydrophobicContact CE3-CB 4.14Å; W247-D249 HydrophobicContact CH2-CB 3.1Å; W247-D249 WeakPolarHBondContact CH2-OD2 3.37Å; W247-D249 HydrophobicContact CZ2-CB 3.8Å; W247-D249 HydrophobicContact CZ3-CB 3.29Å; D249-R251 WeakPolarHBondContact OD1-CB 3.04Å; D249-R251 WeakPolarHBondContact OD1-CG 3.26Å; D249-R251 PolarHBondContact OD1-N 3.27Å; D249-R251 IonicContact OD1-NE 3.24Å; D249-R251 PolarHBondContact OD1-NE 3.34Å; D249-R251 IonicContact OD2-CZ 3.22Å; D249-R251 IonicContact OD2-NE 2.64Å; D249-R251 PolarHBondContact OD2-NE 3.13Å; D249-R251 IonicContact OD2-NH2 2.94Å; D249-R251 PolarHBondContact OD2-NH2 3.02Å
250	L	98.4	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.			trans	-125.8	19.3	-178.7	-78.1	164.8	0	0	0	109.9	L225 I230 F233 L248 N253 L255 P259 N271 L272 N275	L225-L250 HydrophobicContact CB-CD2 3.77Å; L225-L250 HydrophobicContact CD1-CD2 3.85Å; L225-L250 HydrophobicContact CG-CD2 4.48Å; I230-L250 HydrophobicContact CD1-CD2 4.19Å; F233-L250 HydrophobicContact CB-CD1 4.43Å; F233-L250 HydrophobicContact CD1-CD1 4.49Å; F233-L250 HydrophobicContact CD2-CD1 4.35Å; F233-L250 HydrophobicContact CD2-CD2 4.13Å; F233-L250 HydrophobicContact CG-CD1 4.17Å; L248-L250 HydrophobicContact CD1-CD1 4.33Å; L248-L250 HydrophobicContact CD1-CG 4.18Å; L248-L250 HydrophobicContact CD2-CD1 3.84Å; L248-L250 HydrophobicContact CG-CD1 4Å; L248-L250 HydrophobicContact CG-CG 4.18Å; L250-N253 WeakPolarHBondContact O-CB 3.49Å; L250-N253 PolarHBondContact O-ND2 2.9Å; L250-L255 HydrophobicContact CB-CD1 3.95Å; L250-L255 HydrophobicContact CD1-CD1 4.15Å; L250-L255 HydrophobicContact CD2-CD1 4.5Å; L250-L255 HydrophobicContact CG-CD1 4.44Å; L250-P259 HydrophobicContact CD1-CG 4.28Å; L250-N271 CarbonylContact C-O 3.03Å; L250-N271 WeakPolarHBondContact CA-O 3.27Å; L250-N271 PolarHBondContact N-O 3.01Å; L250-L272 HydrophobicContact CB-CD2 3.77Å; L250-L272 HydrophobicContact CD1-CD2 3.86Å; L250-L272 HydrophobicContact CG-CD2 4.48Å; L250-N275 PolarHBondContact O-ND2 2.99Å
251	R	98.6	Very high	92.7	Very high	83 Å²	83	40.3 Å²	40.3	31%	0.313	20%	0.196	S	C	.	.			trans	-64.9	156.7	-179.8	76.7	-176	125.6	143.2	5.7	112.5	S226 C227 D249 N253 N271 S273	S226-R251 CarbonylContact C-O 3.35Å; S226-R251 VanDerWaalsContact CA-O 3.23Å; S226-R251 WeakPolarHBondContact CA-O 3.42Å; C227-R251 PolarHBondContact N-O 3.01Å; D249-R251 WeakPolarHBondContact OD1-CB 3.04Å; D249-R251 WeakPolarHBondContact OD1-CG 3.26Å; D249-R251 PolarHBondContact OD1-N 3.27Å; D249-R251 IonicContact OD1-NE 3.24Å; D249-R251 PolarHBondContact OD1-NE 3.34Å; D249-R251 IonicContact OD2-CZ 3.22Å; D249-R251 IonicContact OD2-NE 2.64Å; D249-R251 PolarHBondContact OD2-NE 3.13Å; D249-R251 IonicContact OD2-NH2 2.94Å; D249-R251 PolarHBondContact OD2-NH2 3.02Å; R251-N253 VanDerWaalsContact C-N 3.33Å; R251-N253 PolarHBondContact O-N 3.17Å; R251-N253 PolarHBondContact O-ND2 2.92Å; R251-N271 PolarHBondContact N-O 3Å; R251-S273 CarbonylContact C-O 3.2Å; R251-S273 WeakPolarHBondContact CA-O 3.44Å; R251-S273 WeakPolarHBondContact CB-O 3.29Å; R251-S273 WeakPolarHBondContact CB-OG 3.14Å
252	E	98.6	Very high	92.8	Very high	96 Å²	96	40.3 Å²	40.3	45%	0.449	20%	0.196	S	C	.	.	S	Bend	trans	54.4	50.5	177.4	-60.9	177.6	-140.6	0	0	111.5	C227 N228 S273 N274	C227-E252 VanDerWaalsContact CA-O 3.23Å; C227-E252 WeakPolarHBondContact CA-O 3.5Å; C227-E252 HydrophobicContact CB-CB 4.49Å; C227-E252 PolarHBondContact N-O 3.05Å; C227-E252 PolarHBondContact SG-OE2 2.98Å; N228-E252 PolarHBondContact N-O 2.89Å; E252-S273 PolarHBondContact N-O 3.01Å; E252-N274 WeakPolarHBondContact CA-O 3.41Å; E252-N274 HydrophobicContact CG-CB 3.85Å; E252-N274 PolarHBondContact N-O 3.31Å
253	N	98.3	Very high	92.8	Very high	12 Å²	12	36 Å²	36	6%	0.064	18%	0.18	C	C	.	.	S	Bend	trans	-120.9	-163.8	174.6	-87.9	-73.7	0	0	0	109.5	L225 N228 S229 I230 L250 R251 L255 N274 N275	L225-N253 PolarHBondContact O-ND2 2.6Å; N228-N253 VanDerWaalsContact CA-OD1 3.29Å; N228-N253 WeakPolarHBondContact CA-OD1 3.23Å; N228-N253 WeakPolarHBondContact CB-OD1 3.4Å; N228-N253 PolarHBondContact N-OD1 2.93Å; N228-N253 PolarHBondContact O-OD1 2.71Å; S229-N253 PolarHBondContact N-OD1 2.99Å; I230-N253 HydrophobicContact CB-CB 4.36Å; I230-N253 VanDerWaalsContact CB-OD1 3.28Å; I230-N253 WeakPolarHBondContact CB-OD1 3.5Å; I230-N253 WeakPolarHBondContact CG1-OD1 3.24Å; I230-N253 PolarHBondContact N-OD1 3.34Å; L250-N253 WeakPolarHBondContact O-CB 3.49Å; L250-N253 PolarHBondContact O-ND2 2.9Å; R251-N253 VanDerWaalsContact C-N 3.33Å; R251-N253 PolarHBondContact O-N 3.17Å; R251-N253 PolarHBondContact O-ND2 2.92Å; N253-L255 HydrophobicContact CB-CG 4.38Å; N253-N274 PolarHBondContact N-O 2.68Å; N253-N275 VanDerWaalsContact CA-OD1 3.3Å; N253-N275 WeakPolarHBondContact CA-OD1 3.34Å; N253-N275 WeakPolarHBondContact CB-OD1 3.33Å; N253-N275 PolarHBondContact N-OD1 2.94Å; N253-N275 PolarHBondContact O-OD1 2.79Å
254	K	96.9	Very high	92.7	Very high	93 Å²	93	35.9 Å²	35.9	40%	0.404	18%	0.179	S	C	.	.			trans	-120.3	28.1	179.3	-64.7	178.9	-179.7	167.9	0	111.8	I230 E231 L256 N275	I230-K254 CarbonylContact O-C 3.43Å; I230-K254 WeakPolarHBondContact O-CA 3.32Å; I230-K254 PolarHBondContact O-N 2.78Å; E231-K254 HydrophobicContact CG-CB 3.91Å; K254-L256 PolarHBondContact O-N 3.01Å; K254-N275 PolarHBondContact N-OD1 3.29Å
255	L	94.8	Very high	92.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.186	C	C	.	.			trans	-61.1	128.1	-176.5	-66.9	173	0	0	0	110.1	I230 F233 L250 N253 P259 L272 N275 L276 I277	I230-L255 HydrophobicContact CG2-CD2 3.98Å; I230-L255 PolarHBondContact O-N 3.05Å; I230-L255 VanDerWaalsContact O-N 3.09Å; F233-L255 HydrophobicContact CB-CD2 4.32Å; L250-L255 HydrophobicContact CB-CD1 3.95Å; L250-L255 HydrophobicContact CD1-CD1 4.15Å; L250-L255 HydrophobicContact CD2-CD1 4.5Å; L250-L255 HydrophobicContact CG-CD1 4.44Å; N253-L255 HydrophobicContact CB-CG 4.38Å; L255-P259 HydrophobicContact CD1-CG 4.4Å; L255-L272 HydrophobicContact CD1-CD2 3.6Å; L255-N275 HydrophobicContact CB-CB 4.13Å; L255-N275 VanDerWaalsContact CB-OD1 3.31Å; L255-N275 WeakPolarHBondContact CB-OD1 3.32Å; L255-N275 WeakPolarHBondContact CG-OD1 3.22Å; L255-N275 PolarHBondContact N-OD1 2.87Å; L255-L276 CarbonylContact O-C 3.44Å; L255-L276 VanDerWaalsContact O-CA 3.29Å; L255-L276 WeakPolarHBondContact O-CA 3.36Å; L255-L276 PolarHBondContact O-N 3.5Å; L255-I277 HydrophobicContact CB-CD1 4.2Å; L255-I277 HydrophobicContact CB-CG1 3.88Å; L255-I277 WeakPolarHBondContact O-CG1 3.36Å; L255-I277 PolarHBondContact O-N 2.74Å; L255-I277 VanDerWaalsContact O-N 3.08Å
256	L	89.9	Confident	92.2	Very high	44 Å²	44	41.1 Å²	41.1	23%	0.23	20%	0.203	C	C	.	.			trans	-94.3	-20.7	179	-60	173.6	0	0	0	112.6	K254 L276 R278 P293	K254-L256 PolarHBondContact O-N 3.01Å; L256-L276 HydrophobicContact CD2-CB 3.89Å; L256-L276 HydrophobicContact CD2-CD1 4.2Å; L256-R278 PolarHBondContact O-N 3.15Å; L256-P293 HydrophobicContact CD1-CG 3.6Å
257	H	88.6	Confident	92	Very high	79 Å²	79	39 Å²	39	37%	0.366	19%	0.191	S	C	.	.	S	Bend	trans	-135.5	152.1	-172.5	-55	-49	0	0	0	110.7
258	F	90.3	Very high	91.9	Very high	42 Å²	42	39.2 Å²	39.2	18%	0.184	20%	0.196	C	C	.	.			trans	-65.5	127.2	170.3	-169.7	-86	0	0	0	109.2	L261 L270 L272 I277 L279 L314 L320 L322 F334	F258-L261 HydrophobicContact CE1-CD1 4.15Å; F258-L261 HydrophobicContact CZ-CD1 4.25Å; F258-L270 HydrophobicContact CE2-CD2 4.41Å; F258-L270 HydrophobicContact CZ-CD2 4.03Å; F258-L272 HydrophobicContact CD2-CD1 3.82Å; F258-L272 HydrophobicContact CE2-CD1 3.57Å; F258-L272 HydrophobicContact CZ-CD1 4.32Å; F258-I277 HydrophobicContact CB-CG2 4.41Å; F258-L279 HydrophobicContact CB-CD2 3.81Å; F258-L279 HydrophobicContact CD2-CD2 4.42Å; F258-L279 HydrophobicContact CG-CD2 4.39Å; F258-L314 HydrophobicContact CE1-CD1 3.87Å; F258-L314 HydrophobicContact CZ-CD1 3.81Å; F258-L320 HydrophobicContact CE2-CD1 4.39Å; F258-L322 HydrophobicContact CD2-CD2 4.1Å; F258-L322 HydrophobicContact CE2-CD1 4.38Å; F258-L322 HydrophobicContact CE2-CD2 4.24Å; F258-F334 HydrophobicContact CD1-CE2 4.17Å; F258-F334 AromaticContact CD2-CE2 3.8Å; F258-F334 HydrophobicContact CD2-CE2 3.8Å; F258-F334 AromaticContact CD2-CZ 3.99Å; F258-F334 HydrophobicContact CD2-CZ 3.99Å; F258-F334 HydrophobicContact CE1-CE2 4.11Å; F258-F334 AromaticContact CE2-CE2 3.71Å; F258-F334 HydrophobicContact CE2-CE2 3.71Å; F258-F334 AromaticContact CE2-CZ 3.67Å; F258-F334 HydrophobicContact CE2-CZ 3.67Å; F258-F334 HydrophobicContact CG-CE2 4.04Å; F258-F334 AromaticContact CZ-CE2 3.88Å; F258-F334 HydrophobicContact CZ-CE2 3.88Å; F258-F334 HydrophobicContact CZ-CZ 4.1Å
259	P	88.5	Confident	91.9	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	21%	0.206	C	C	.	.			trans	-64.6	146.7	-177.2	-21	32.1	0	0	0	112.8	F233 L250 L255 L261 L272	F233-P259 HydrophobicContact CB-CB 4.44Å; F233-P259 HydrophobicContact CB-CG 4.47Å; F233-P259 HydrophobicContact CD1-CB 4.02Å; L250-P259 HydrophobicContact CD1-CG 4.28Å; L255-P259 HydrophobicContact CD1-CG 4.4Å; P259-L261 HydrophobicContact CB-CD2 3.93Å; P259-L261 HydrophobicContact CB-CG 4.11Å; P259-L261 PolarHBondContact O-N 3.41Å; P259-L272 HydrophobicContact CG-CD2 4.11Å
260	D	82.5	Confident	91.9	Very high	72 Å²	72	41.9 Å²	41.9	39%	0.385	21%	0.206	S	C	.	.			trans	-76.6	107.8	168.9	-176.9	7.2	0	0	0	109.6	A262	D260-A262 WeakPolarHBondContact OD1-CB 3.26Å; D260-A262 PolarHBondContact OD1-N 2.92Å; D260-A262 VanDerWaalsContact OD1-N 3.09Å
261	L	86.4	Confident	91.9	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.209	C	C	.	.			trans	-109.7	17.5	-175.7	-57	171	0	0	0	111.8	F233 L248 F258 P259 A263 L264 L267 L270 L314	F233-L261 HydrophobicContact CD1-CD2 4.48Å; F233-L261 HydrophobicContact CE1-CD2 4.17Å; L248-L261 HydrophobicContact CD2-CD2 4.14Å; F258-L261 HydrophobicContact CE1-CD1 4.15Å; F258-L261 HydrophobicContact CZ-CD1 4.25Å; P259-L261 HydrophobicContact CB-CD2 3.93Å; P259-L261 HydrophobicContact CB-CG 4.11Å; P259-L261 PolarHBondContact O-N 3.41Å; L261-A263 PolarHBondContact O-N 3.32Å; L261-L264 HydrophobicContact CD2-CD1 3.65Å; L261-L264 PolarHBondContact O-N 3.36Å; L261-L267 HydrophobicContact CD1-CD2 3.91Å; L261-L270 HydrophobicContact CD1-CD1 4.37Å; L261-L270 HydrophobicContact CD1-CD2 3.32Å; L261-L270 HydrophobicContact CD1-CG 4.48Å; L261-L314 HydrophobicContact CB-CD2 3.77Å; L261-L314 HydrophobicContact CB-CG 4.44Å; L261-L314 HydrophobicContact CD1-CD1 4.49Å; L261-L314 HydrophobicContact CD1-CD2 3.94Å
262	A	81.6	Confident	91.9	Very high	48 Å²	48	38.4 Å²	38.4	40%	0.397	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.2	177.5	0	0	0	0	0	112.6	D260 L264 P313	D260-A262 WeakPolarHBondContact OD1-CB 3.26Å; D260-A262 PolarHBondContact OD1-N 2.92Å; D260-A262 VanDerWaalsContact OD1-N 3.09Å; A262-L264 VanDerWaalsContact C-N 3.26Å; A262-L264 PolarHBondContact O-N 3.03Å; A262-P313 HydrophobicContact CB-CB 4.44Å; A262-P313 HydrophobicContact CB-CG 4.28Å
263	A	84.3	Confident	91.9	Very high	24 Å²	24	34.1 Å²	34.1	20%	0.198	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.4	175.8	0	0	0	0	0	114	T235 F243 L261 P265	T235-A263 WeakPolarHBondContact OG1-CB 3.49Å; F243-A263 HydrophobicContact CD2-CB 4.21Å; F243-A263 VanDerWaalsContact CD2-O 3.26Å; F243-A263 WeakPolarHBondContact CD2-O 3.45Å; F243-A263 HydrophobicContact CE2-CB 4.15Å; L261-A263 PolarHBondContact O-N 3.32Å; A263-P265 WeakPolarHBondContact O-CD 3.32Å
264	L	88.5	Confident	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.			trans	-113	68	-175.8	-54.8	179.3	0	0	0	111.1	T235 F243 L245 L248 L261 A262 R266 L267	T235-L264 HydrophobicContact CG2-CD1 4.04Å; T235-L264 HydrophobicContact CG2-CD2 4.13Å; T235-L264 HydrophobicContact CG2-CG 4.03Å; F243-L264 HydrophobicContact CB-CD2 3.61Å; F243-L264 HydrophobicContact CD1-CD2 4.44Å; F243-L264 HydrophobicContact CD2-CD2 3.97Å; F243-L264 HydrophobicContact CG-CD2 3.77Å; L245-L264 HydrophobicContact CB-CD2 4.24Å; L245-L264 HydrophobicContact CD2-CD1 3.95Å; L245-L264 HydrophobicContact CD2-CD2 4.44Å; L248-L264 HydrophobicContact CD2-CD1 4.42Å; L261-L264 HydrophobicContact CD2-CD1 3.65Å; L261-L264 PolarHBondContact O-N 3.36Å; A262-L264 VanDerWaalsContact C-N 3.26Å; A262-L264 PolarHBondContact O-N 3.03Å; L264-R266 PolarHBondContact O-N 3.19Å; L264-L267 HydrophobicContact CB-CB 4.35Å; L264-L267 WeakPolarHBondContact O-CB 3.38Å; L264-L267 PolarHBondContact O-N 3.04Å
265	P	85.8	Confident	92	Very high	48 Å²	48	32.7 Å²	32.7	31%	0.312	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.9	-171.4	29.1	-37	0	0	0	114	A263 Q316	A263-P265 WeakPolarHBondContact O-CD 3.32Å; P265-Q316 PolarHBondContact O-OE1 3.49Å
266	R	91.3	Very high	92.1	Very high	101 Å²	101	36 Å²	36	38%	0.381	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	6.6	-178	-62.6	-171.5	-179.3	-150.5	-5.4	114	E242 Q244 L245 L264 I268	E242-R266 IonicContact OE2-NE 3.06Å; E242-R266 IonicContact OE2-NH2 2.98Å; E242-R266 PolarHBondContact OE2-NH2 2.94Å; Q244-R266 VanDerWaalsContact OE1-CZ 3.24Å; L245-R266 CarbonylContact O-C 3.57Å; L245-R266 VanDerWaalsContact O-C 3.23Å; L264-R266 PolarHBondContact O-N 3.19Å; R266-I268 PolarHBondContact O-N 3.44Å
267	L	93.9	Very high	92.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.178	C	C	.	.			trans	-67.5	126.2	-176.9	-165.7	69.5	0	0	0	110.8	L245 L248 L261 L264 L270 L314 Q316 L317	L245-L267 HydrophobicContact CD2-CD1 4.39Å; L245-L267 HydrophobicContact CG-CD1 4.44Å; L245-L267 WeakPolarHBondContact O-CA 3.29Å; L245-L267 PolarHBondContact O-N 3.38Å; L248-L267 HydrophobicContact CB-CD1 3.81Å; L261-L267 HydrophobicContact CD1-CD2 3.91Å; L264-L267 HydrophobicContact CB-CB 4.35Å; L264-L267 WeakPolarHBondContact O-CB 3.38Å; L264-L267 PolarHBondContact O-N 3.04Å; L267-L270 HydrophobicContact CD2-CB 4.12Å; L267-L270 HydrophobicContact CD2-CD1 4.37Å; L267-L270 HydrophobicContact CD2-CD2 4.25Å; L267-L270 HydrophobicContact CD2-CG 4.5Å; L267-L314 HydrophobicContact CD2-CD2 4.12Å; L267-Q316 CarbonylContact O-C 3.54Å; L267-L317 HydrophobicContact CB-CD1 4.41Å; L267-L317 HydrophobicContact CD2-CD1 4.08Å; L267-L317 HydrophobicContact CG-CD1 3.93Å; L267-L317 WeakPolarHBondContact O-CA 3.3Å; L267-L317 PolarHBondContact O-N 3.33Å
268	I	96.2	Very high	92.3	Very high	68 Å²	68	36.6 Å²	36.6	35%	0.349	19%	0.185	S	C	.	.			trans	-111.5	-40.8	-176.7	-66.4	172.1	0	0	0	110.6	T246 R266 L318 N319	T246-I268 HydrophobicContact CG2-CD1 4.32Å; T246-I268 WeakPolarHBondContact O-CA 3.13Å; T246-I268 PolarHBondContact O-N 3.41Å; R266-I268 PolarHBondContact O-N 3.44Å; I268-L318 HydrophobicContact CG2-CB 4.01Å; I268-L318 HydrophobicContact CG2-CD1 3.73Å; I268-L318 HydrophobicContact CG2-CG 3.85Å; I268-L318 PolarHBondContact O-N 3.33Å; I268-N319 PolarHBondContact O-N 2.87Å; I268-N319 VanDerWaalsContact O-N 3.08Å
269	Y	98.4	Very high	92.1	Very high	56 Å²	56	35.3 Å²	35.3	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.3	-178.6	178.1	-84.1	0	0	0	110.3	T246 W247 L248 N271 N319	T246-Y269 PolarHBondContact O-N 2.99Å; W247-Y269 AromaticContact CD1-CD1 3.25Å; W247-Y269 AromaticContact CD1-CE1 3.98Å; W247-Y269 AromaticContact CD1-CG 3.41Å; W247-Y269 VanDerWaalsContact CD1-CG 3.41Å; W247-Y269 AromaticContact CD2-CD1 3.86Å; W247-Y269 HydrophobicContact CD2-CD1 3.86Å; W247-Y269 HydrophobicContact CD2-CE1 4.22Å; W247-Y269 AromaticContact CE2-CD1 3.48Å; W247-Y269 VanDerWaalsContact CE2-CD1 3.48Å; W247-Y269 AromaticContact CE2-CE1 3.45Å; W247-Y269 VanDerWaalsContact CE2-CE1 3.45Å; W247-Y269 AromaticContact CG-CD1 3.74Å; W247-Y269 HydrophobicContact CG-CD1 3.74Å; W247-Y269 HydrophobicContact CG-CG 4.19Å; W247-Y269 HydrophobicContact CZ2-CD1 4.22Å; W247-Y269 AromaticContact CZ2-CE1 3.73Å; W247-Y269 HydrophobicContact CZ2-CE1 3.73Å; W247-Y269 AromaticContact NE1-CD1 3.04Å; W247-Y269 AromaticContact NE1-CE1 3.26Å; W247-Y269 VanDerWaalsContact NE1-CE1 3.26Å; W247-Y269 AromaticContact NE1-CG 3.47Å; W247-Y269 AromaticContact NE1-CZ 3.88Å; L248-Y269 PolarHBondContact N-O 3.46Å; Y269-N271 HydrophobicContact CE1-CB 3.7Å; Y269-N271 PolarHBondContact OH-ND2 3.41Å; Y269-N319 HydrophobicContact CD2-CB 3.89Å; Y269-N319 HydrophobicContact CE2-CB 4.48Å
270	L	98.3	Very high	91.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	120.2	174.9	179.4	58.8	0	0	0	110.4	L248 F258 L261 L267 L272 L317 N319 L320 D321	L248-L270 HydrophobicContact CB-CD1 4.13Å; L248-L270 HydrophobicContact CD2-CD1 4.02Å; L248-L270 HydrophobicContact CG-CD1 4.07Å; L248-L270 WeakPolarHBondContact O-CA 3.33Å; F258-L270 HydrophobicContact CE2-CD2 4.41Å; F258-L270 HydrophobicContact CZ-CD2 4.03Å; L261-L270 HydrophobicContact CD1-CD1 4.37Å; L261-L270 HydrophobicContact CD1-CD2 3.32Å; L261-L270 HydrophobicContact CD1-CG 4.48Å; L267-L270 HydrophobicContact CD2-CB 4.12Å; L267-L270 HydrophobicContact CD2-CD1 4.37Å; L267-L270 HydrophobicContact CD2-CD2 4.25Å; L267-L270 HydrophobicContact CD2-CG 4.5Å; L270-L272 HydrophobicContact CD1-CD1 4.34Å; L270-L272 HydrophobicContact CD1-CD2 4.29Å; L270-L272 HydrophobicContact CD1-CG 3.99Å; L270-L272 HydrophobicContact CD2-CD1 3.79Å; L270-L272 HydrophobicContact CD2-CG 4.31Å; L270-L272 HydrophobicContact CG-CD1 3.98Å; L270-L272 HydrophobicContact CG-CG 3.95Å; L270-L317 HydrophobicContact CB-CD1 3.84Å; L270-L317 HydrophobicContact CB-CD2 4.41Å; L270-N319 PolarHBondContact N-O 3.35Å; L270-L320 HydrophobicContact CB-CD1 4.13Å; L270-L320 HydrophobicContact CD2-CD1 3.81Å; L270-L320 HydrophobicContact CG-CD1 3.97Å; L270-L320 WeakPolarHBondContact O-CA 3.5Å; L270-D321 PolarHBondContact O-N 3.49Å
271	N	98.8	Very high	90.2	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.8	172.9	-167.7	-16.9	0	0	0	110.2	L248 L250 R251 Y269 S273	L248-N271 PolarHBondContact O-N 2.88Å; L248-N271 VanDerWaalsContact O-N 3.12Å; L250-N271 CarbonylContact C-O 3.03Å; L250-N271 WeakPolarHBondContact CA-O 3.27Å; L250-N271 PolarHBondContact N-O 3.01Å; R251-N271 PolarHBondContact N-O 3Å; Y269-N271 HydrophobicContact CE1-CB 3.7Å; Y269-N271 PolarHBondContact OH-ND2 3.41Å; N271-S273 VanDerWaalsContact OD1-CB 3.3Å; N271-S273 WeakPolarHBondContact OD1-CB 3.44Å; N271-S273 PolarHBondContact OD1-N 2.85Å; N271-S273 PolarHBondContact OD1-OG 3.24Å
272	L	98.4	Very high	88.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	-120.4	18.1	178.3	-68.6	168.3	0	0	0	111	L250 L255 F258 P259 L270 N275 I277 L320 D321 L322 N325	L250-L272 HydrophobicContact CB-CD2 3.77Å; L250-L272 HydrophobicContact CD1-CD2 3.86Å; L250-L272 HydrophobicContact CG-CD2 4.48Å; L255-L272 HydrophobicContact CD1-CD2 3.6Å; F258-L272 HydrophobicContact CD2-CD1 3.82Å; F258-L272 HydrophobicContact CE2-CD1 3.57Å; F258-L272 HydrophobicContact CZ-CD1 4.32Å; P259-L272 HydrophobicContact CG-CD2 4.11Å; L270-L272 HydrophobicContact CD1-CD1 4.34Å; L270-L272 HydrophobicContact CD1-CD2 4.29Å; L270-L272 HydrophobicContact CD1-CG 3.99Å; L270-L272 HydrophobicContact CD2-CD1 3.79Å; L270-L272 HydrophobicContact CD2-CG 4.31Å; L270-L272 HydrophobicContact CG-CD1 3.98Å; L270-L272 HydrophobicContact CG-CG 3.95Å; L272-N275 PolarHBondContact O-ND2 2.81Å; L272-I277 HydrophobicContact CB-CD1 3.89Å; L272-I277 HydrophobicContact CD1-CD1 4.18Å; L272-I277 HydrophobicContact CD2-CD1 4.16Å; L272-I277 HydrophobicContact CG-CD1 4.32Å; L272-L320 HydrophobicContact CD1-CD1 4.46Å; L272-D321 CarbonylContact C-O 3.5Å; L272-D321 WeakPolarHBondContact CA-O 3.4Å; L272-D321 WeakPolarHBondContact CB-O 3.47Å; L272-D321 PolarHBondContact N-O 3.34Å; L272-L322 HydrophobicContact CB-CD2 3.83Å; L272-L322 HydrophobicContact CD1-CD2 3.71Å; L272-L322 HydrophobicContact CG-CD2 4.43Å; L272-N325 PolarHBondContact O-ND2 3.11Å
273	S	98.7	Very high	86.8	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	26%	0.259	C	S	.	.			trans	-64.5	153.4	-177.3	63.4	0	0	0	0	112.7	R251 E252 N271 N275 D321 S323	R251-S273 CarbonylContact C-O 3.2Å; R251-S273 WeakPolarHBondContact CA-O 3.44Å; R251-S273 WeakPolarHBondContact CB-O 3.29Å; R251-S273 WeakPolarHBondContact CB-OG 3.14Å; E252-S273 PolarHBondContact N-O 3.01Å; N271-S273 VanDerWaalsContact OD1-CB 3.3Å; N271-S273 WeakPolarHBondContact OD1-CB 3.44Å; N271-S273 PolarHBondContact OD1-N 2.85Å; N271-S273 PolarHBondContact OD1-OG 3.24Å; S273-N275 PolarHBondContact O-ND2 2.93Å; S273-D321 PolarHBondContact N-O 3.11Å; S273-S323 CarbonylContact C-O 3.58Å; S273-S323 WeakPolarHBondContact CA-O 3.47Å; S273-S323 WeakPolarHBondContact CB-OG 3.35Å
274	N	98.6	Very high	85.1	Confident	67 Å²	67	51 Å²	51	36%	0.358	29%	0.287	S	S	.	.	S	Bend	trans	56.2	58.8	178.6	-61.9	-89.1	0	0	0	111.9	E252 N253 S323 Y324	E252-N274 WeakPolarHBondContact CA-O 3.41Å; E252-N274 HydrophobicContact CG-CB 3.85Å; E252-N274 PolarHBondContact N-O 3.31Å; N253-N274 PolarHBondContact N-O 2.68Å; N274-S323 PolarHBondContact N-O 3.04Å; N274-Y324 WeakPolarHBondContact CA-O 3.37Å; N274-Y324 PolarHBondContact N-O 3.05Å; N274-Y324 WeakPolarHBondContact OD1-CB 3.1Å
275	N	98.1	Very high	82.7	Confident	8 Å²	8	59 Å²	59	4%	0.043	33%	0.325	C	S	.	.	S	Bend	trans	-131	-170.3	173.4	-83.9	-80.7	0	0	0	109.2	L250 N253 K254 L255 L272 S273 I277 Y324 N325	L250-N275 PolarHBondContact O-ND2 2.99Å; N253-N275 VanDerWaalsContact CA-OD1 3.3Å; N253-N275 WeakPolarHBondContact CA-OD1 3.34Å; N253-N275 WeakPolarHBondContact CB-OD1 3.33Å; N253-N275 PolarHBondContact N-OD1 2.94Å; N253-N275 PolarHBondContact O-OD1 2.79Å; K254-N275 PolarHBondContact N-OD1 3.29Å; L255-N275 HydrophobicContact CB-CB 4.13Å; L255-N275 VanDerWaalsContact CB-OD1 3.31Å; L255-N275 WeakPolarHBondContact CB-OD1 3.32Å; L255-N275 WeakPolarHBondContact CG-OD1 3.22Å; L255-N275 PolarHBondContact N-OD1 2.87Å; L272-N275 PolarHBondContact O-ND2 2.81Å; S273-N275 PolarHBondContact O-ND2 2.93Å; N275-I277 HydrophobicContact CB-CD1 4.1Å; N275-I277 HydrophobicContact CB-CG1 3.95Å; N275-Y324 PolarHBondContact N-O 2.86Å; N275-Y324 VanDerWaalsContact N-O 3.09Å; N275-N325 WeakPolarHBondContact CA-OD1 3.22Å; N275-N325 WeakPolarHBondContact CB-OD1 3.3Å; N275-N325 PolarHBondContact O-OD1 2.92Å
276	L	96.3	Very high	80.5	Confident	71 Å²	71	63.6 Å²	63.6	37%	0.372	35%	0.347	S	S	.	.			trans	-115	29.6	179.9	-58.4	174.5	0	0	0	110.7	L255 L256 R278 N325	L255-L276 CarbonylContact O-C 3.44Å; L255-L276 VanDerWaalsContact O-CA 3.29Å; L255-L276 WeakPolarHBondContact O-CA 3.36Å; L255-L276 PolarHBondContact O-N 3.5Å; L256-L276 HydrophobicContact CD2-CB 3.89Å; L256-L276 HydrophobicContact CD2-CD1 4.2Å; L276-R278 PolarHBondContact O-N 3.26Å; L276-N325 PolarHBondContact N-OD1 2.86Å
277	I	94.6	Very high	78.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.			trans	-69.1	131.6	-168.8	-64	169	0	0	0	110.1	L255 F258 L272 N275 L279 L322 N325 E326 I327	L255-I277 HydrophobicContact CB-CD1 4.2Å; L255-I277 HydrophobicContact CB-CG1 3.88Å; L255-I277 WeakPolarHBondContact O-CG1 3.36Å; L255-I277 PolarHBondContact O-N 2.74Å; L255-I277 VanDerWaalsContact O-N 3.08Å; F258-I277 HydrophobicContact CB-CG2 4.41Å; L272-I277 HydrophobicContact CB-CD1 3.89Å; L272-I277 HydrophobicContact CD1-CD1 4.18Å; L272-I277 HydrophobicContact CD2-CD1 4.16Å; L272-I277 HydrophobicContact CG-CD1 4.32Å; N275-I277 HydrophobicContact CB-CD1 4.1Å; N275-I277 HydrophobicContact CB-CG1 3.95Å; I277-L279 HydrophobicContact CG2-CD2 4.37Å; I277-L322 HydrophobicContact CD1-CD2 4.25Å; I277-N325 HydrophobicContact CB-CB 4.35Å; I277-N325 WeakPolarHBondContact CB-OD1 3.28Å; I277-N325 WeakPolarHBondContact CG1-OD1 3.39Å; I277-N325 PolarHBondContact N-OD1 2.86Å; I277-E326 CarbonylContact O-C 3.46Å; I277-E326 PolarHBondContact O-N 2.66Å; I277-I327 WeakPolarHBondContact O-CG1 3.49Å; I277-I327 PolarHBondContact O-N 2.89Å
278	R	89.8	Confident	75.8	Confident	136 Å²	136	70.5 Å²	70.5	51%	0.513	39%	0.389	S	S	.	.			trans	-117	135.4	165.3	-57.4	-175.2	-175.2	-163.8	0.9	109.5	L256 L276 E326	L256-R278 PolarHBondContact O-N 3.15Å; L276-R278 PolarHBondContact O-N 3.26Å; R278-E326 HydrophobicContact CG-CB 3.96Å; R278-E326 IonicContact CZ-OE2 3.7Å; R278-E326 VanDerWaalsContact CZ-OE2 3.23Å; R278-E326 IonicContact NE-OE2 2.76Å; R278-E326 PolarHBondContact NE-OE2 3.06Å; R278-E326 IonicContact NH2-OE2 3.94Å; R278-E326 PolarHBondContact NH2-OE2 2.98Å
279	L	86	Confident	73.7	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.073	38%	0.376	C	S	.	.			trans	-86.1	142.7	174.3	-63.1	-178	0	0	0	110.4	F258 I277 T281 I327 I330 P331 F334	F258-L279 HydrophobicContact CB-CD2 3.81Å; F258-L279 HydrophobicContact CD2-CD2 4.42Å; F258-L279 HydrophobicContact CG-CD2 4.39Å; I277-L279 HydrophobicContact CG2-CD2 4.37Å; L279-T281 PolarHBondContact O-N 3.33Å; L279-I327 HydrophobicContact CB-CG2 4.37Å; L279-I327 HydrophobicContact CD1-CD1 4.44Å; L279-I327 HydrophobicContact CD1-CG2 3.83Å; L279-I327 HydrophobicContact CG-CD1 4.38Å; L279-I327 HydrophobicContact CG-CG1 4.35Å; L279-I327 HydrophobicContact CG-CG2 3.92Å; L279-I330 HydrophobicContact CD1-CD1 3.72Å; L279-P331 HydrophobicContact CB-CG 4.31Å; L279-F334 HydrophobicContact CD1-CD1 4.33Å; L279-F334 HydrophobicContact CD1-CG 4.41Å; L279-F334 HydrophobicContact CD2-CE2 4.44Å
280	P	74.9	Confident	71.8	Confident	100 Å²	100	66.1 Å²	66.1	65%	0.649	37%	0.372	S	S	*	.			trans	-67	129	-176.9	25.7	-33.1	0	0	0	111.8	P331	P280-P331 VanDerWaalsContact O-CG 3.29Å; P280-P331 WeakPolarHBondContact O-CG 3.07Å
281	T	55.9	Low	70.1	Confident	107 Å²	107	69.4 Å²	69.4	66%	0.656	39%	0.387	S	S	*	.			trans	-105.5	84	178.6	58.2	0	0	0	0	110.6	L279 L329	L279-T281 PolarHBondContact O-N 3.33Å; T281-L329 HydrophobicContact CG2-CB 4.14Å; T281-L329 HydrophobicContact CG2-CD2 4.1Å
282	G	52.8	Low	68.3	Low	54 Å²	54	69 Å²	69	56%	0.557	39%	0.385	S	S	*	.	S	Bend	trans	143.3	168.6	172.8	0	0	0	0	0	114.4
283	P	43	Very low	66.7	Low	100 Å²	100	73.3 Å²	73.3	65%	0.649	41%	0.413	S	S	*	.	S	Bend	trans	-58.6	151.3	166.3	27	-32	0	0	0	108.9	Q285	P283-Q285 PolarHBondContact O-N 3.39Å
284	P	48.5	Very low	64.9	Low	122 Å²	122	77.6 Å²	77.6	79%	0.792	44%	0.443	S	S	*	.			trans	-68.9	71.1	-176.3	29.6	-35.1	0	0	0	110.7
285	Q	39.2	Very low	63.3	Low	168 Å²	168	79.2 Å²	79.2	79%	0.785	45%	0.448	S	S	*	.	S	Bend	trans	-94.6	113.9	166.6	-67.9	-153.2	-11.4	0	0	105.7	P283	P283-Q285 PolarHBondContact O-N 3.39Å
286	D	37.9	Very low	61.6	Low	145 Å²	145	81.9 Å²	81.9	78%	0.775	48%	0.478	S	S	*	.	S	Bend	trans	67.1	80	-165.4	-55.9	-24.8	0	0	0	113	K288	D286-K288 PolarHBondContact O-N 2.87Å
287	S	40.9	Very low	59.9	Low	77 Å²	77	81.6 Å²	81.6	54%	0.538	47%	0.472	S	S	.	.			trans	-58.3	71.5	160.3	42.7	0	0	0	0	110.6	G289	S287-G289 PolarHBondContact O-N 3.43Å
288	K	46.7	Very low	58.3	Low	170 Å²	170	85 Å²	85	74%	0.739	50%	0.496	S	S	*	.			trans	-60.8	125.2	157.6	-72.4	-175.1	179.1	179	0	105.6	D286	D286-K288 PolarHBondContact O-N 2.87Å
289	G	51.6	Low	56.7	Low	7 Å²	7	79.4 Å²	79.4	7%	0.072	48%	0.479	C	S	.	.			trans	-59.2	177	-177.5	0	0	0	0	0	114	S287 H291 A299	S287-G289 PolarHBondContact O-N 3.43Å; G289-H291 PolarHBondContact N-CD2 3.07Å; G289-H291 PolarHBondContact N-NE2 2.8Å; G289-H291 PolarHBondContact O-CD2 3.49Å; G289-H291 PolarHBondContact O-N 2.79Å; G289-A299 CarbonylContact C-O 3.04Å; G289-A299 VanDerWaalsContact C-O 3.31Å; G289-A299 WeakPolarHBondContact CA-O 3.27Å
290	I	58.8	Low	55	Low	26 Å²	26	85.3 Å²	85.3	13%	0.133	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	118	157.9	-53.6	176.9	0	0	0	105.5	A232 W297 S298 A299	A232-I290 HydrophobicContact CB-CG2 3.56Å; I290-W297 HydrophobicContact CB-CZ3 4.04Å; I290-W297 HydrophobicContact CG2-CZ3 3.83Å; I290-W297 WeakPolarHBondContact O-CZ3 3.47Å; I290-S298 WeakPolarHBondContact O-CA 3.45Å; I290-A299 PolarHBondContact N-O 3.41Å; I290-A299 PolarHBondContact O-N 3.46Å
291	H	62.5	Low	53.8	Low	69 Å²	69	83.1 Å²	83.1	32%	0.319	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	-175.4	-70.9	-69.5	0	0	0	109.8	G289 P293 W297 S298	G289-H291 PolarHBondContact N-CD2 3.07Å; G289-H291 PolarHBondContact N-NE2 2.8Å; G289-H291 PolarHBondContact O-CD2 3.49Å; G289-H291 PolarHBondContact O-N 2.79Å; H291-P293 WeakPolarHBondContact O-CD 3.39Å; H291-W297 WeakPolarHBondContact CA-O 3.48Å; H291-S298 WeakPolarHBondContact CE1-CB 3.42Å; H291-S298 WeakPolarHBondContact ND1-CB 3.4Å
292	A	61	Low	53	Low	1 Å²	1	81.5 Å²	81.5	1%	0.008	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	94.3	166	0	0	0	0	0	107.8	E231 A232 S294 E295 G296 W297	E231-A292 HydrophobicContact CB-CB 3.68Å; E231-A292 WeakPolarHBondContact OE2-CA 3.25Å; A232-A292 HydrophobicContact CB-CB 4.26Å; A292-S294 VanDerWaalsContact C-N 3.31Å; A292-S294 PolarHBondContact O-N 3.44Å; A292-E295 HydrophobicContact CB-CB 4.46Å; A292-E295 PolarHBondContact O-N 3.34Å; A292-G296 PolarHBondContact O-N 2.9Å; A292-W297 HydrophobicContact CB-CB 4.2Å; A292-W297 HydrophobicContact CB-CE3 4.4Å; A292-W297 PolarHBondContact N-O 2.93Å; A292-W297 PolarHBondContact O-N 3.37Å
293	P	63.9	Low	52.2	Low	90 Å²	90	84 Å²	84	58%	0.584	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.2	-170.1	25.7	-35.4	0	0	0	113.6	E231 L256 H291 E295	E231-P293 WeakPolarHBondContact OE2-CD 3.26Å; E231-P293 VanDerWaalsContact OE2-N 3.13Å; L256-P293 HydrophobicContact CD1-CG 3.6Å; H291-P293 WeakPolarHBondContact O-CD 3.39Å; P293-E295 VanDerWaalsContact C-N 3.32Å
294	S	61.4	Low	51.7	Low	97 Å²	97	85 Å²	85	68%	0.678	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-29	-179.3	-50.9	0	0	0	0	112.1	E231 A292	E231-S294 WeakPolarHBondContact OE1-CB 3.43Å; E231-S294 PolarHBondContact OE1-OG 3.24Å; E231-S294 PolarHBondContact OE2-N 3.15Å; A292-S294 VanDerWaalsContact C-N 3.31Å; A292-S294 PolarHBondContact O-N 3.44Å
295	E	65.8	Low	51.1	Low	101 Å²	101	84.5 Å²	84.5	47%	0.472	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.7	178	-63.5	-142.6	140.7	0	0	113.7	T210 A292 P293 W297	T210-E295 VanDerWaalsContact CB-CD 3.44Å; T210-E295 WeakPolarHBondContact CB-OE1 3.36Å; T210-E295 PolarHBondContact OG1-OE1 3.32Å; T210-E295 PolarHBondContact OG1-OE2 2.97Å; A292-E295 HydrophobicContact CB-CB 4.46Å; A292-E295 PolarHBondContact O-N 3.34Å; P293-E295 VanDerWaalsContact C-N 3.32Å; E295-W297 PolarHBondContact O-N 2.89Å
296	G	61.4	Low	50.8	Low	64 Å²	64	84.4 Å²	84.4	66%	0.66	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	16.7	-173.1	0	0	0	0	0	113.5	A292	A292-G296 PolarHBondContact O-N 2.9Å
297	W	61.4	Low	50.7	Low	65 Å²	65	80 Å²	80	25%	0.246	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.2	176.9	-178.6	92.5	0	0	0	110.4	A232 Q234 I290 H291 A292 E295 A299	A232-W297 HydrophobicContact CB-CE3 3.99Å; A232-W297 HydrophobicContact CB-CZ3 3.63Å; Q234-W297 HydrophobicContact CB-CH2 4.43Å; I290-W297 HydrophobicContact CB-CZ3 4.04Å; I290-W297 HydrophobicContact CG2-CZ3 3.83Å; I290-W297 WeakPolarHBondContact O-CZ3 3.47Å; H291-W297 WeakPolarHBondContact CA-O 3.48Å; A292-W297 HydrophobicContact CB-CB 4.2Å; A292-W297 HydrophobicContact CB-CE3 4.4Å; A292-W297 PolarHBondContact N-O 2.93Å; A292-W297 PolarHBondContact O-N 3.37Å; E295-W297 PolarHBondContact O-N 2.89Å; W297-A299 HydrophobicContact CH2-CB 3.33Å; W297-A299 HydrophobicContact CZ2-CB 3.53Å; W297-A299 HydrophobicContact CZ3-CB 3.97Å
298	S	60.7	Low	50.5	Low	73 Å²	73	84.4 Å²	84.4	51%	0.51	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125.2	177.3	62.6	0	0	0	0	110.2	I290 H291	I290-S298 WeakPolarHBondContact O-CA 3.45Å; H291-S298 WeakPolarHBondContact CE1-CB 3.42Å; H291-S298 WeakPolarHBondContact ND1-CB 3.4Å
299	A	55.3	Low	50.1	Low	18 Å²	18	79.8 Å²	79.8	15%	0.149	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133	164.7	0	0	0	0	0	109	G289 I290 W297	G289-A299 CarbonylContact C-O 3.04Å; G289-A299 VanDerWaalsContact C-O 3.31Å; G289-A299 WeakPolarHBondContact CA-O 3.27Å; I290-A299 PolarHBondContact N-O 3.41Å; I290-A299 PolarHBondContact O-N 3.46Å; W297-A299 HydrophobicContact CH2-CB 3.33Å; W297-A299 HydrophobicContact CZ2-CB 3.53Å; W297-A299 HydrophobicContact CZ3-CB 3.97Å
300	L	50.4	Low	49.6	Very low	137 Å²	137	85.8 Å²	85.8	72%	0.717	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-52.8	142.3	167.7	-74.9	161.9	0	0	0	108.5	L302	L300-L302 PolarHBondContact O-N 2.86Å
301	P	49.7	Very low	49.3	Very low	54 Å²	54	87.8 Å²	87.8	35%	0.351	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-57.5	123.1	169.1	-9.4	27.4	0	0	0	104.6	S303	P301-S303 PolarHBondContact O-N 2.84Å
302	L	40.2	Very low	49.2	Very low	73 Å²	73	92.2 Å²	92.2	38%	0.382	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-50.5	123.3	177.3	-82	155.9	0	0	0	106.5	S237 L300 T304	S237-L302 WeakPolarHBondContact OG-CD1 3.48Å; S237-L302 VanDerWaalsContact OG-CD2 3.24Å; S237-L302 WeakPolarHBondContact OG-CD2 3.19Å; L300-L302 PolarHBondContact O-N 2.86Å; L302-T304 PolarHBondContact O-N 3.4Å
303	S	35	Very low	49.5	Very low	107 Å²	107	94.3 Å²	94.3	75%	0.748	59%	0.586	S	S	*	*			trans	-45.6	132.6	177.3	-50.7	0	0	0	0	107.3	P301 P305	P301-S303 PolarHBondContact O-N 2.84Å; S303-P305 VanDerWaalsContact O-N 3.12Å
304	T	33.5	Very low	50.3	Low	122 Å²	122	90.6 Å²	90.6	75%	0.748	56%	0.561	S	S	*	*			trans	-38.9	126.6	169.5	41.1	0	0	0	0	107.8	L302 N306	L302-T304 PolarHBondContact O-N 3.4Å; T304-N306 PolarHBondContact O-N 3.35Å
305	P	35.2	Very low	51.4	Low	110 Å²	110	87.8 Å²	87.8	71%	0.714	54%	0.541	S	S	*	.			trans	-50	107.7	177	-25.7	31.6	0	0	0	107.7	S303 G307	S303-P305 VanDerWaalsContact O-N 3.12Å; P305-G307 PolarHBondContact O-N 2.86Å
306	N	32.5	Very low	52.6	Low	166 Å²	166	87.6 Å²	87.6	89%	0.888	54%	0.54	S	S	*	.			trans	-70.5	99.9	-176	-165.6	26.9	0	0	0	106	T304	T304-N306 PolarHBondContact O-N 3.35Å
307	G	37.7	Very low	54.2	Low	54 Å²	54	84.5 Å²	84.5	56%	0.557	51%	0.509	S	S	*	.	S	Bend	trans	79.4	121.1	172.5	0	0	0	0	0	115.1	P305	P305-G307 PolarHBondContact O-N 2.86Å
308	N	34.8	Very low	55.9	Low	169 Å²	169	84.8 Å²	84.8	90%	0.904	52%	0.515	S	S	*	.			trans	83.8	47.3	156.8	-52.7	-14.7	0	0	0	119.1
309	A	39.1	Very low	57.7	Low	73 Å²	73	83.7 Å²	83.7	60%	0.603	50%	0.503	S	S	*	.			trans	-121.5	105.3	157.6	0	0	0	0	0	110.9	A311	A309-A311 PolarHBondContact O-N 3.32Å
310	S	41.3	Very low	59.7	Low	132 Å²	132	82.8 Å²	82.8	92%	0.923	50%	0.496	S	S	*	.			trans	-63.1	11.6	171	-27.3	0	0	0	0	114.1
311	A	51.7	Low	62	Low	68 Å²	68	77.7 Å²	77.7	56%	0.562	47%	0.469	S	S	*	.			trans	-90.4	111.2	-174.7	0	0	0	0	0	109	A309 P313	A309-A311 PolarHBondContact O-N 3.32Å; A311-P313 WeakPolarHBondContact O-CD 3.44Å
312	R	60.8	Low	64.3	Low	163 Å²	163	75.1 Å²	75.1	62%	0.615	45%	0.452	S	S	*	.			trans	-72.3	111.6	164.4	-67	-177.5	-178.1	-169.7	0.1	107.1	L314 S315	R312-L314 PolarHBondContact O-N 2.87Å; R312-S315 WeakPolarHBondContact O-CB 3.49Å; R312-S315 PolarHBondContact O-N 3.47Å; R312-S315 PolarHBondContact O-OG 3.45Å
313	P	68.9	Low	67.1	Low	45 Å²	45	71.9 Å²	71.9	29%	0.292	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	141.3	176.8	-23.3	34.1	0	0	0	109.9	A262 A311 S315	A262-P313 HydrophobicContact CB-CB 4.44Å; A262-P313 HydrophobicContact CB-CG 4.28Å; A311-P313 WeakPolarHBondContact O-CD 3.44Å; P313-S315 PolarHBondContact O-N 2.97Å; P313-S315 VanDerWaalsContact O-N 3.07Å
314	L	79.1	Confident	70.1	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.063	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	15.3	174.3	-54.9	175.6	0	0	0	116.7	F258 L261 L267 R312 Q316 L317 L338	F258-L314 HydrophobicContact CE1-CD1 3.87Å; F258-L314 HydrophobicContact CZ-CD1 3.81Å; L261-L314 HydrophobicContact CB-CD2 3.77Å; L261-L314 HydrophobicContact CB-CG 4.44Å; L261-L314 HydrophobicContact CD1-CD1 4.49Å; L261-L314 HydrophobicContact CD1-CD2 3.94Å; L267-L314 HydrophobicContact CD2-CD2 4.12Å; R312-L314 PolarHBondContact O-N 2.87Å; L314-Q316 PolarHBondContact O-N 2.87Å; L314-Q316 VanDerWaalsContact O-N 3.12Å; L314-L317 HydrophobicContact CB-CB 4.23Å; L314-L317 HydrophobicContact CD2-CD2 4.46Å; L314-L317 VanDerWaalsContact O-CB 3.23Å; L314-L317 WeakPolarHBondContact O-CB 3.41Å; L314-L317 PolarHBondContact O-N 3.35Å; L314-L338 HydrophobicContact CB-CD2 3.88Å; L314-L338 HydrophobicContact CD1-CD2 4.14Å
315	S	85.6	Confident	73.2	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	179.5	52.5	0	0	0	0	114.7	R312 P313 S340	R312-S315 WeakPolarHBondContact O-CB 3.49Å; R312-S315 PolarHBondContact O-N 3.47Å; R312-S315 PolarHBondContact O-OG 3.45Å; P313-S315 PolarHBondContact O-N 2.97Å; P313-S315 VanDerWaalsContact O-N 3.07Å; S315-S340 WeakPolarHBondContact O-CB 3.07Å; S315-S340 PolarHBondContact O-OG 2.98Å
316	Q	90.7	Very high	76.1	Confident	97 Å²	97	64.6 Å²	64.6	45%	0.453	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5	174.7	-61.8	-167.2	-0.7	0	0	113.9	P265 L267 L314 L318	P265-Q316 PolarHBondContact O-OE1 3.49Å; L267-Q316 CarbonylContact O-C 3.54Å; L314-Q316 PolarHBondContact O-N 2.87Å; L314-Q316 VanDerWaalsContact O-N 3.12Å; Q316-L318 PolarHBondContact O-N 3.32Å
317	L	94.5	Very high	79.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.326	C	S	.	.			trans	-66	127.6	-175.9	-163.6	72.3	0	0	0	109.9	L267 L270 L314 L320 L338 S340 L341	L267-L317 HydrophobicContact CB-CD1 4.41Å; L267-L317 HydrophobicContact CD2-CD1 4.08Å; L267-L317 HydrophobicContact CG-CD1 3.93Å; L267-L317 WeakPolarHBondContact O-CA 3.3Å; L267-L317 PolarHBondContact O-N 3.33Å; L270-L317 HydrophobicContact CB-CD1 3.84Å; L270-L317 HydrophobicContact CB-CD2 4.41Å; L314-L317 HydrophobicContact CB-CB 4.23Å; L314-L317 HydrophobicContact CD2-CD2 4.46Å; L314-L317 VanDerWaalsContact O-CB 3.23Å; L314-L317 WeakPolarHBondContact O-CB 3.41Å; L314-L317 PolarHBondContact O-N 3.35Å; L317-L320 HydrophobicContact CD2-CB 3.91Å; L317-L320 HydrophobicContact CD2-CD1 4.27Å; L317-L320 HydrophobicContact CD2-CD2 4.21Å; L317-L320 HydrophobicContact CD2-CG 4.37Å; L317-L338 HydrophobicContact CD2-CD2 3.96Å; L317-S340 CarbonylContact O-C 3.57Å; L317-S340 VanDerWaalsContact O-C 3.32Å; L317-L341 HydrophobicContact CB-CD1 4.45Å; L317-L341 HydrophobicContact CD2-CD1 4.16Å; L317-L341 HydrophobicContact CG-CD1 4.13Å; L317-L341 WeakPolarHBondContact O-CA 3.43Å; L317-L341 PolarHBondContact O-N 3.39Å
318	L	96.8	Very high	81.7	Confident	71 Å²	71	59.7 Å²	59.7	37%	0.372	33%	0.325	S	S	.	.			trans	-105.8	-35.5	179.9	-62.6	-174.7	0	0	0	112.1	I268 Q316 S340 C342 F343	I268-L318 HydrophobicContact CG2-CB 4.01Å; I268-L318 HydrophobicContact CG2-CD1 3.73Å; I268-L318 HydrophobicContact CG2-CG 3.85Å; I268-L318 PolarHBondContact O-N 3.33Å; Q316-L318 PolarHBondContact O-N 3.32Å; L318-S340 WeakPolarHBondContact CD2-O 3.19Å; L318-C342 WeakPolarHBondContact O-CA 3.34Å; L318-C342 PolarHBondContact O-N 2.81Å; L318-F343 PolarHBondContact O-N 3.47Å
319	N	98.4	Very high	84.3	Confident	49 Å²	49	54.8 Å²	54.8	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.9	-177.8	-168.4	-13.1	0	0	0	110.6	I268 Y269 L270 F343	I268-N319 PolarHBondContact O-N 2.87Å; I268-N319 VanDerWaalsContact O-N 3.08Å; Y269-N319 HydrophobicContact CD2-CB 3.89Å; Y269-N319 HydrophobicContact CE2-CB 4.48Å; L270-N319 PolarHBondContact N-O 3.35Å; N319-F343 HydrophobicContact CB-CB 4.42Å
320	L	98.2	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.7	176.7	178.9	54.3	0	0	0	109.8	F258 L270 L272 L317 L322 F334 L338 L341 F343 L344 N345	F258-L320 HydrophobicContact CE2-CD1 4.39Å; L270-L320 HydrophobicContact CB-CD1 4.13Å; L270-L320 HydrophobicContact CD2-CD1 3.81Å; L270-L320 HydrophobicContact CG-CD1 3.97Å; L270-L320 WeakPolarHBondContact O-CA 3.5Å; L272-L320 HydrophobicContact CD1-CD1 4.46Å; L317-L320 HydrophobicContact CD2-CB 3.91Å; L317-L320 HydrophobicContact CD2-CD1 4.27Å; L317-L320 HydrophobicContact CD2-CD2 4.21Å; L317-L320 HydrophobicContact CD2-CG 4.37Å; L320-L322 HydrophobicContact CD1-CD1 4.24Å; L320-L322 HydrophobicContact CD1-CG 4Å; L320-L322 HydrophobicContact CD2-CD1 3.83Å; L320-L322 HydrophobicContact CD2-CG 4.46Å; L320-L322 HydrophobicContact CG-CD1 3.99Å; L320-L322 HydrophobicContact CG-CG 4.09Å; L320-F334 HydrophobicContact CD2-CE1 4.36Å; L320-F334 HydrophobicContact CD2-CZ 4.08Å; L320-L338 HydrophobicContact CD2-CD1 3.97Å; L320-L338 HydrophobicContact CD2-CD2 4.44Å; L320-L341 HydrophobicContact CB-CD1 3.74Å; L320-L341 HydrophobicContact CB-CD2 4.37Å; L320-F343 PolarHBondContact N-O 2.89Å; L320-L344 HydrophobicContact CB-CD1 4.13Å; L320-L344 HydrophobicContact CD2-CD1 3.93Å; L320-L344 HydrophobicContact CG-CD1 3.97Å; L320-L344 WeakPolarHBondContact O-CA 3.3Å; L320-N345 PolarHBondContact O-N 3.32Å
321	D	98.8	Very high	88.9	Confident	29 Å²	29	47 Å²	47	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.7	170.6	-159.4	-34.5	0	0	0	110.5	L270 L272 S273 S323 N345	L270-D321 PolarHBondContact O-N 3.49Å; L272-D321 CarbonylContact C-O 3.5Å; L272-D321 WeakPolarHBondContact CA-O 3.4Å; L272-D321 WeakPolarHBondContact CB-O 3.47Å; L272-D321 PolarHBondContact N-O 3.34Å; S273-D321 PolarHBondContact N-O 3.11Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.2Å; D321-S323 PolarHBondContact OD1-N 2.89Å; D321-S323 PolarHBondContact OD1-OG 2.89Å; D321-N345 HydrophobicContact CB-CB 4.43Å; D321-N345 PolarHBondContact OD1-ND2 3.27Å; D321-N345 PolarHBondContact OD2-ND2 2.95Å
322	L	98.3	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.			trans	-119.1	18.5	175.5	-78.9	167	0	0	0	111	F258 L272 I277 L320 N325 I327 F334 N345 L346 N349	F258-L322 HydrophobicContact CD2-CD2 4.1Å; F258-L322 HydrophobicContact CE2-CD1 4.38Å; F258-L322 HydrophobicContact CE2-CD2 4.24Å; L272-L322 HydrophobicContact CB-CD2 3.83Å; L272-L322 HydrophobicContact CD1-CD2 3.71Å; L272-L322 HydrophobicContact CG-CD2 4.43Å; I277-L322 HydrophobicContact CD1-CD2 4.25Å; L320-L322 HydrophobicContact CD1-CD1 4.24Å; L320-L322 HydrophobicContact CD1-CG 4Å; L320-L322 HydrophobicContact CD2-CD1 3.83Å; L320-L322 HydrophobicContact CD2-CG 4.46Å; L320-L322 HydrophobicContact CG-CD1 3.99Å; L320-L322 HydrophobicContact CG-CG 4.09Å; L322-N325 PolarHBondContact O-ND2 3.44Å; L322-I327 HydrophobicContact CB-CD1 4.14Å; L322-I327 HydrophobicContact CD1-CD1 4.38Å; L322-I327 HydrophobicContact CD2-CD1 4.28Å; L322-F334 HydrophobicContact CD1-CE1 4.13Å; L322-F334 HydrophobicContact CD1-CZ 3.93Å; L322-N345 CarbonylContact C-O 3.06Å; L322-N345 WeakPolarHBondContact CA-O 3.32Å; L322-N345 PolarHBondContact N-O 3.25Å; L322-L346 HydrophobicContact CB-CD2 3.74Å; L322-L346 HydrophobicContact CD1-CD2 4.03Å; L322-N349 PolarHBondContact O-ND2 3.3Å
323	S	98.8	Very high	91.2	Very high	6 Å²	6	43 Å²	43	4%	0.042	23%	0.225	C	C	.	.			trans	-65.3	157.6	-179.3	60.9	0	0	0	0	112.8	S273 N274 D321 N325 N345 S347	S273-S323 CarbonylContact C-O 3.58Å; S273-S323 WeakPolarHBondContact CA-O 3.47Å; S273-S323 WeakPolarHBondContact CB-OG 3.35Å; N274-S323 PolarHBondContact N-O 3.04Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.2Å; D321-S323 PolarHBondContact OD1-N 2.89Å; D321-S323 PolarHBondContact OD1-OG 2.89Å; S323-N325 PolarHBondContact O-N 2.8Å; S323-N325 PolarHBondContact O-ND2 3.48Å; S323-N325 VanDerWaalsContact O-ND2 3.15Å; S323-N345 PolarHBondContact N-O 2.95Å; S323-N345 PolarHBondContact OG-ND2 2.89Å; S323-S347 CarbonylContact C-O 3.49Å; S323-S347 WeakPolarHBondContact CA-O 3.48Å; S323-S347 WeakPolarHBondContact CB-O 3.37Å; S323-S347 VanDerWaalsContact CB-OG 3.24Å; S323-S347 WeakPolarHBondContact CB-OG 3.44Å
324	Y	98.6	Very high	92	Very high	115 Å²	115	42.3 Å²	42.3	45%	0.451	22%	0.217	S	C	.	.	S	Bend	trans	54.3	56.8	179.2	-63.7	-96.3	0	0	0	112.1	N274 N275 S347 R348	N274-Y324 WeakPolarHBondContact CA-O 3.37Å; N274-Y324 PolarHBondContact N-O 3.05Å; N274-Y324 WeakPolarHBondContact OD1-CB 3.1Å; N275-Y324 PolarHBondContact N-O 2.86Å; N275-Y324 VanDerWaalsContact N-O 3.09Å; Y324-S347 PolarHBondContact N-O 2.96Å; Y324-R348 WeakPolarHBondContact CA-O 3.35Å; Y324-R348 HydrophobicContact CD1-CB 3.81Å; Y324-R348 HydrophobicContact CD1-CG 4.11Å; Y324-R348 HydrophobicContact CD2-CB 4.04Å; Y324-R348 HydrophobicContact CD2-CG 4.28Å; Y324-R348 HydrophobicContact CE1-CB 3.98Å; Y324-R348 HydrophobicContact CE1-CG 3.73Å; Y324-R348 HydrophobicContact CE2-CB 4.17Å; Y324-R348 HydrophobicContact CE2-CG 3.89Å; Y324-R348 HydrophobicContact CG-CB 3.85Å; Y324-R348 HydrophobicContact CG-CG 4.38Å; Y324-R348 PolarHBondContact N-O 3Å
325	N	97.9	Very high	92.3	Very high	8 Å²	8	42 Å²	42	4%	0.043	22%	0.216	C	C	.	.	S	Bend	trans	-130.9	-177.2	175	-84.2	-77.2	0	0	0	110.1	L272 N275 L276 I277 L322 S323 I327 R348 N349	L272-N325 PolarHBondContact O-ND2 3.11Å; N275-N325 WeakPolarHBondContact CA-OD1 3.22Å; N275-N325 WeakPolarHBondContact CB-OD1 3.3Å; N275-N325 PolarHBondContact O-OD1 2.92Å; L276-N325 PolarHBondContact N-OD1 2.86Å; I277-N325 HydrophobicContact CB-CB 4.35Å; I277-N325 WeakPolarHBondContact CB-OD1 3.28Å; I277-N325 WeakPolarHBondContact CG1-OD1 3.39Å; I277-N325 PolarHBondContact N-OD1 2.86Å; L322-N325 PolarHBondContact O-ND2 3.44Å; S323-N325 PolarHBondContact O-N 2.8Å; S323-N325 PolarHBondContact O-ND2 3.48Å; S323-N325 VanDerWaalsContact O-ND2 3.15Å; N325-I327 HydrophobicContact CB-CD1 4.2Å; N325-I327 HydrophobicContact CB-CG1 4.03Å; N325-R348 PolarHBondContact N-O 2.54Å; N325-N349 WeakPolarHBondContact CA-OD1 3.46Å; N325-N349 WeakPolarHBondContact CB-OD1 3.23Å; N325-N349 PolarHBondContact O-OD1 3.28Å
326	E	96.3	Very high	92.2	Very high	63 Å²	63	44 Å²	44	29%	0.294	22%	0.221	S	C	.	.			trans	-104.7	32.6	-179.3	-61	-172.7	171.7	0	0	112.1	I277 R278 E328	I277-E326 CarbonylContact O-C 3.46Å; I277-E326 PolarHBondContact O-N 2.66Å; R278-E326 HydrophobicContact CG-CB 3.96Å; R278-E326 IonicContact CZ-OE2 3.7Å; R278-E326 VanDerWaalsContact CZ-OE2 3.23Å; R278-E326 IonicContact NE-OE2 2.76Å; R278-E326 PolarHBondContact NE-OE2 3.06Å; R278-E326 IonicContact NH2-OE2 3.94Å; R278-E326 PolarHBondContact NH2-OE2 2.98Å; E326-E328 PolarHBondContact O-N 3.02Å
327	I	95.3	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.			trans	-77.5	117.3	-174.1	-53.8	169.9	0	0	0	109.9	I277 L279 L322 N325 I330 L346 N349 C350 L351	I277-I327 WeakPolarHBondContact O-CG1 3.49Å; I277-I327 PolarHBondContact O-N 2.89Å; L279-I327 HydrophobicContact CB-CG2 4.37Å; L279-I327 HydrophobicContact CD1-CD1 4.44Å; L279-I327 HydrophobicContact CD1-CG2 3.83Å; L279-I327 HydrophobicContact CG-CD1 4.38Å; L279-I327 HydrophobicContact CG-CG1 4.35Å; L279-I327 HydrophobicContact CG-CG2 3.92Å; L322-I327 HydrophobicContact CB-CD1 4.14Å; L322-I327 HydrophobicContact CD1-CD1 4.38Å; L322-I327 HydrophobicContact CD2-CD1 4.28Å; N325-I327 HydrophobicContact CB-CD1 4.2Å; N325-I327 HydrophobicContact CB-CG1 4.03Å; I327-I330 HydrophobicContact CG2-CD1 3.65Å; I327-L346 HydrophobicContact CD1-CD2 4.13Å; I327-N349 HydrophobicContact CB-CB 4.35Å; I327-N349 VanDerWaalsContact CB-OD1 3.22Å; I327-N349 WeakPolarHBondContact CB-OD1 3.1Å; I327-N349 VanDerWaalsContact CG1-OD1 3.24Å; I327-N349 WeakPolarHBondContact CG1-OD1 3.48Å; I327-N349 PolarHBondContact N-OD1 3.11Å; I327-N349 VanDerWaalsContact N-OD1 3.08Å; I327-C350 CarbonylContact O-C 2.95Å; I327-C350 WeakPolarHBondContact O-CA 3.3Å; I327-C350 PolarHBondContact O-N 2.92Å; I327-L351 HydrophobicContact CG2-CD2 3.92Å; I327-L351 PolarHBondContact O-N 3.37Å; I327-L351 VanDerWaalsContact O-N 3.16Å
328	E	92.3	Very high	91.4	Very high	116 Å²	116	43.1 Å²	43.1	54%	0.542	22%	0.217	S	C	.	.			trans	-93.3	-30.8	180	-64.2	179	-154.4	0	0	113.4	E326 C350	E326-E328 PolarHBondContact O-N 3.02Å; E328-C350 HydrophobicContact CG-CB 3.88Å
329	L	90.2	Very high	91	Very high	67 Å²	67	41.6 Å²	41.6	35%	0.351	21%	0.211	S	C	.	.			trans	-146.6	142.9	-178.2	-177.6	69.3	0	0	0	110.4	T281	T281-L329 HydrophobicContact CG2-CB 4.14Å; T281-L329 HydrophobicContact CG2-CD2 4.1Å
330	I	90.5	Very high	90.8	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	21%	0.212	C	C	.	.			trans	-97.8	117.1	170	-53	-58.3	0	0	0	109.3	L279 I327 F334 L335 L346 L351 F354	L279-I330 HydrophobicContact CD1-CD1 3.72Å; I327-I330 HydrophobicContact CG2-CD1 3.65Å; I330-F334 HydrophobicContact CG2-CD1 4.06Å; I330-L335 HydrophobicContact CG2-CD1 4.03Å; I330-L335 HydrophobicContact CG2-CD2 3.82Å; I330-L335 HydrophobicContact CG2-CG 3.71Å; I330-L346 HydrophobicContact CD1-CD1 4.12Å; I330-L346 HydrophobicContact CD1-CD2 4.02Å; I330-L346 HydrophobicContact CG1-CD1 4.33Å; I330-L351 HydrophobicContact CD1-CD2 3.93Å; I330-L351 HydrophobicContact CG1-CD1 4.43Å; I330-L351 HydrophobicContact CG1-CD2 3.84Å; I330-F354 HydrophobicContact CG1-CD2 4.22Å; I330-F354 HydrophobicContact CG1-CE2 4.36Å
331	P	85.7	Confident	90.7	Very high	24 Å²	24	41.2 Å²	41.2	16%	0.156	21%	0.212	C	C	.	.			trans	-66	139.2	173.2	-20.6	33.5	0	0	0	111.7	L279 P280 S333 F334	L279-P331 HydrophobicContact CB-CG 4.31Å; P280-P331 VanDerWaalsContact O-CG 3.29Å; P280-P331 WeakPolarHBondContact O-CG 3.07Å; P331-S333 PolarHBondContact O-N 3.44Å; P331-F334 HydrophobicContact CB-CB 4.39Å; P331-F334 VanDerWaalsContact O-CB 3.27Å; P331-F334 WeakPolarHBondContact O-CB 3.49Å; P331-F334 PolarHBondContact O-N 2.82Å
332	D	79.4	Confident	90.6	Very high	79 Å²	79	41 Å²	41	42%	0.422	21%	0.212	S	C	.	.	H	α-helix	trans	-53.8	-41.3	176.5	-74.7	-33.9	0	0	0	111.8	F334 L335 E336	D332-F334 PolarHBondContact O-N 3.41Å; D332-L335 PolarHBondContact O-N 3.45Å; D332-E336 WeakPolarHBondContact O-CG 3.32Å; D332-E336 PolarHBondContact O-N 2.81Å
333	S	80.6	Confident	90.6	Very high	69 Å²	69	45.2 Å²	45.2	48%	0.483	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-27.8	178	58.2	0	0	0	0	113.1	P331 H337	P331-S333 PolarHBondContact O-N 3.44Å; S333-H337 PolarHBondContact O-CE1 3.41Å; S333-H337 PolarHBondContact O-ND1 3.07Å
334	F	85.4	Confident	90.6	Very high	29 Å²	29	45 Å²	45	13%	0.127	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-45.2	179.4	-178.8	-102.6	0	0	0	111.3	F258 L279 L320 L322 I330 P331 D332 E336 L338	F258-F334 HydrophobicContact CD1-CE2 4.17Å; F258-F334 AromaticContact CD2-CE2 3.8Å; F258-F334 HydrophobicContact CD2-CE2 3.8Å; F258-F334 AromaticContact CD2-CZ 3.99Å; F258-F334 HydrophobicContact CD2-CZ 3.99Å; F258-F334 HydrophobicContact CE1-CE2 4.11Å; F258-F334 AromaticContact CE2-CE2 3.71Å; F258-F334 HydrophobicContact CE2-CE2 3.71Å; F258-F334 AromaticContact CE2-CZ 3.67Å; F258-F334 HydrophobicContact CE2-CZ 3.67Å; F258-F334 HydrophobicContact CG-CE2 4.04Å; F258-F334 AromaticContact CZ-CE2 3.88Å; F258-F334 HydrophobicContact CZ-CE2 3.88Å; F258-F334 HydrophobicContact CZ-CZ 4.1Å; L279-F334 HydrophobicContact CD1-CD1 4.33Å; L279-F334 HydrophobicContact CD1-CG 4.41Å; L279-F334 HydrophobicContact CD2-CE2 4.44Å; L320-F334 HydrophobicContact CD2-CE1 4.36Å; L320-F334 HydrophobicContact CD2-CZ 4.08Å; L322-F334 HydrophobicContact CD1-CE1 4.13Å; L322-F334 HydrophobicContact CD1-CZ 3.93Å; I330-F334 HydrophobicContact CG2-CD1 4.06Å; P331-F334 HydrophobicContact CB-CB 4.39Å; P331-F334 VanDerWaalsContact O-CB 3.27Å; P331-F334 WeakPolarHBondContact O-CB 3.49Å; P331-F334 PolarHBondContact O-N 2.82Å; D332-F334 PolarHBondContact O-N 3.41Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 2.76Å; F334-L338 HydrophobicContact CD1-CD1 4.23Å; F334-L338 HydrophobicContact CE1-CD1 3.82Å; F334-L338 HydrophobicContact CZ-CD1 4.24Å
335	L	86.2	Confident	90.6	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-27.2	-178.2	-60.7	-177.9	0	0	0	113	I330 D332 H337 L338 L344 F354 L362	I330-L335 HydrophobicContact CG2-CD1 4.03Å; I330-L335 HydrophobicContact CG2-CD2 3.82Å; I330-L335 HydrophobicContact CG2-CG 3.71Å; D332-L335 PolarHBondContact O-N 3.45Å; L335-H337 PolarHBondContact O-N 2.73Å; L335-L338 PolarHBondContact O-N 3Å; L335-L344 HydrophobicContact CD2-CD2 4.39Å; L335-F354 HydrophobicContact CD1-CE2 4.4Å; L335-F354 HydrophobicContact CD1-CZ 4.24Å; L335-L362 HydrophobicContact CD1-CD1 4.49Å; L335-L362 HydrophobicContact CD2-CD1 4.12Å
336	E	83.4	Confident	90.6	Very high	79 Å²	79	40.6 Å²	40.6	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-25.8	-178.1	-73.9	177.5	-162	0	0	114.2	D332 F334 R358	D332-E336 WeakPolarHBondContact O-CG 3.32Å; D332-E336 PolarHBondContact O-N 2.81Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 2.76Å; E336-R358 WeakPolarHBondContact OE1-CD 3.46Å; E336-R358 IonicContact OE1-CZ 3.16Å; E336-R358 IonicContact OE1-NE 3.29Å; E336-R358 IonicContact OE1-NH1 2.73Å; E336-R358 PolarHBondContact OE1-NH1 3.02Å; E336-R358 IonicContact OE2-NH1 2.76Å; E336-R358 PolarHBondContact OE2-NH1 3.22Å
337	H	81.4	Confident	90.7	Very high	77 Å²	77	38 Å²	38	36%	0.356	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.9	-179.1	-64.5	98.7	0	0	0	112.8	S333 L335 T339	S333-H337 PolarHBondContact O-CE1 3.41Å; S333-H337 PolarHBondContact O-ND1 3.07Å; L335-H337 PolarHBondContact O-N 2.73Å; H337-T339 VanDerWaalsContact C-N 3.33Å; H337-T339 PolarHBondContact O-N 3.04Å; H337-T339 VanDerWaalsContact O-N 3.07Å
338	L	87.3	Confident	90.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.223	C	C	.	.			trans	-90.3	54.8	-168.8	-61.2	172.8	0	0	0	112.6	L314 L317 L320 F334 L335 S340 L341 L362	L314-L338 HydrophobicContact CB-CD2 3.88Å; L314-L338 HydrophobicContact CD1-CD2 4.14Å; L317-L338 HydrophobicContact CD2-CD2 3.96Å; L320-L338 HydrophobicContact CD2-CD1 3.97Å; L320-L338 HydrophobicContact CD2-CD2 4.44Å; F334-L338 HydrophobicContact CD1-CD1 4.23Å; F334-L338 HydrophobicContact CE1-CD1 3.82Å; F334-L338 HydrophobicContact CZ-CD1 4.24Å; L335-L338 PolarHBondContact O-N 3Å; L338-S340 PolarHBondContact O-N 3.29Å; L338-L341 HydrophobicContact CB-CB 4.12Å; L338-L341 HydrophobicContact CB-CD2 4.2Å; L338-L341 HydrophobicContact CD1-CD2 4.12Å; L338-L341 WeakPolarHBondContact O-CB 3.42Å; L338-L341 PolarHBondContact O-N 3.4Å; L338-L362 HydrophobicContact CB-CD2 3.72Å; L338-L362 WeakPolarHBondContact O-CD2 3.47Å
339	T	89.1	Confident	91.2	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.239	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.2	-167.8	56.1	0	0	0	0	115.2	H337 P363	H337-T339 VanDerWaalsContact C-N 3.33Å; H337-T339 PolarHBondContact O-N 3.04Å; H337-T339 VanDerWaalsContact O-N 3.07Å; T339-P363 WeakPolarHBondContact O-CD 2.97Å; T339-P363 WeakPolarHBondContact O-CG 3.17Å
340	S	93.4	Very high	91.5	Very high	41 Å²	41	38.2 Å²	38.2	29%	0.287	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.6	-178.6	-53.6	0	0	0	0	113.2	S315 L317 L318 L338 C342	S315-S340 WeakPolarHBondContact O-CB 3.07Å; S315-S340 PolarHBondContact O-OG 2.98Å; L317-S340 CarbonylContact O-C 3.57Å; L317-S340 VanDerWaalsContact O-C 3.32Å; L318-S340 WeakPolarHBondContact CD2-O 3.19Å; L338-S340 PolarHBondContact O-N 3.29Å; S340-C342 PolarHBondContact O-N 3.42Å
341	L	95.3	Very high	91.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-63.4	128.8	-171.6	-165.3	73.4	0	0	0	111.2	L317 L320 L338 L344 L362 C364 L365	L317-L341 HydrophobicContact CB-CD1 4.45Å; L317-L341 HydrophobicContact CD2-CD1 4.16Å; L317-L341 HydrophobicContact CG-CD1 4.13Å; L317-L341 WeakPolarHBondContact O-CA 3.43Å; L317-L341 PolarHBondContact O-N 3.39Å; L320-L341 HydrophobicContact CB-CD1 3.74Å; L320-L341 HydrophobicContact CB-CD2 4.37Å; L338-L341 HydrophobicContact CB-CB 4.12Å; L338-L341 HydrophobicContact CB-CD2 4.2Å; L338-L341 HydrophobicContact CD1-CD2 4.12Å; L338-L341 WeakPolarHBondContact O-CB 3.42Å; L338-L341 PolarHBondContact O-N 3.4Å; L341-L344 HydrophobicContact CD2-CB 3.78Å; L341-L344 HydrophobicContact CD2-CD1 4.18Å; L341-L344 HydrophobicContact CD2-CD2 4.23Å; L341-L344 HydrophobicContact CD2-CG 4.28Å; L341-L362 HydrophobicContact CD2-CD2 4.42Å; L341-C364 CarbonylContact O-C 3.59Å; L341-L365 HydrophobicContact CD2-CD1 4.15Å; L341-L365 HydrophobicContact CG-CD1 4.22Å; L341-L365 WeakPolarHBondContact O-CA 3.28Å; L341-L365 PolarHBondContact O-N 3.14Å
342	C	97.3	Very high	92.3	Very high	24 Å²	24	44 Å²	44	16%	0.162	22%	0.221	C	C	.	.			trans	-104.9	-31.9	178.4	-68.5	0	0	0	0	112.4	L318 S340 M366 L367	L318-C342 WeakPolarHBondContact O-CA 3.34Å; L318-C342 PolarHBondContact O-N 2.81Å; S340-C342 PolarHBondContact O-N 3.42Å; C342-M366 PolarHBondContact O-N 2.97Å; C342-L367 PolarHBondContact O-N 2.78Å; C342-L367 VanDerWaalsContact O-N 3.14Å
343	F	98.4	Very high	93	Very high	88 Å²	88	42.1 Å²	42.1	39%	0.386	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123	-176.9	-55.6	-87.3	0	0	0	109.7	L318 N319 L320 L367	L318-F343 PolarHBondContact O-N 3.47Å; N319-F343 HydrophobicContact CB-CB 4.42Å; L320-F343 PolarHBondContact N-O 2.89Å; F343-L367 HydrophobicContact CD1-CB 3.8Å; F343-L367 HydrophobicContact CE1-CB 4.28Å
344	L	98.3	Very high	93.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.7	173.8	-178.9	53.9	0	0	0	109.2	L320 L335 L341 L346 L362 L365 L367 L368 D369	L320-L344 HydrophobicContact CB-CD1 4.13Å; L320-L344 HydrophobicContact CD2-CD1 3.93Å; L320-L344 HydrophobicContact CG-CD1 3.97Å; L320-L344 WeakPolarHBondContact O-CA 3.3Å; L335-L344 HydrophobicContact CD2-CD2 4.39Å; L341-L344 HydrophobicContact CD2-CB 3.78Å; L341-L344 HydrophobicContact CD2-CD1 4.18Å; L341-L344 HydrophobicContact CD2-CD2 4.23Å; L341-L344 HydrophobicContact CD2-CG 4.28Å; L344-L346 HydrophobicContact CD1-CD1 4.32Å; L344-L346 HydrophobicContact CD1-CG 4.08Å; L344-L346 HydrophobicContact CD2-CD1 3.89Å; L344-L346 HydrophobicContact CG-CD1 4.01Å; L344-L346 HydrophobicContact CG-CG 4.1Å; L344-L362 HydrophobicContact CD2-CD1 4.46Å; L344-L365 HydrophobicContact CB-CD1 3.74Å; L344-L367 PolarHBondContact N-O 2.92Å; L344-L368 HydrophobicContact CB-CD1 4.04Å; L344-L368 HydrophobicContact CD2-CD1 3.89Å; L344-L368 HydrophobicContact CG-CD1 3.97Å; L344-L368 WeakPolarHBondContact O-CA 3.36Å; L344-D369 PolarHBondContact O-N 2.93Å
345	N	98.8	Very high	94	Very high	29 Å²	29	40 Å²	40	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.8	173.7	-174.1	4	0	0	0	109.9	L320 D321 L322 S323 S347 D369	L320-N345 PolarHBondContact O-N 3.32Å; D321-N345 HydrophobicContact CB-CB 4.43Å; D321-N345 PolarHBondContact OD1-ND2 3.27Å; D321-N345 PolarHBondContact OD2-ND2 2.95Å; L322-N345 CarbonylContact C-O 3.06Å; L322-N345 WeakPolarHBondContact CA-O 3.32Å; L322-N345 PolarHBondContact N-O 3.25Å; S323-N345 PolarHBondContact N-O 2.95Å; S323-N345 PolarHBondContact OG-ND2 2.89Å; N345-S347 VanDerWaalsContact OD1-CB 3.32Å; N345-S347 WeakPolarHBondContact OD1-CB 3.25Å; N345-S347 PolarHBondContact OD1-N 2.89Å; N345-S347 PolarHBondContact OD1-OG 2.88Å; N345-D369 HydrophobicContact CB-CB 4.49Å
346	L	98.5	Very high	94.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	19%	0.194	C	C	.	.			trans	-122.1	18.1	176.6	-75.1	167.3	0	0	0	110.6	L322 I327 I330 L344 N349 L351 F354 D369 L370 N373	L322-L346 HydrophobicContact CB-CD2 3.74Å; L322-L346 HydrophobicContact CD1-CD2 4.03Å; I327-L346 HydrophobicContact CD1-CD2 4.13Å; I330-L346 HydrophobicContact CD1-CD1 4.12Å; I330-L346 HydrophobicContact CD1-CD2 4.02Å; I330-L346 HydrophobicContact CG1-CD1 4.33Å; L344-L346 HydrophobicContact CD1-CD1 4.32Å; L344-L346 HydrophobicContact CD1-CG 4.08Å; L344-L346 HydrophobicContact CD2-CD1 3.89Å; L344-L346 HydrophobicContact CG-CD1 4.01Å; L344-L346 HydrophobicContact CG-CG 4.1Å; L346-N349 PolarHBondContact O-ND2 3.42Å; L346-N349 VanDerWaalsContact O-ND2 3.07Å; L346-L351 HydrophobicContact CB-CD1 4.22Å; L346-L351 HydrophobicContact CD1-CD1 4.4Å; L346-F354 HydrophobicContact CD1-CE2 4.08Å; L346-D369 CarbonylContact C-O 3.57Å; L346-D369 WeakPolarHBondContact CA-O 3.27Å; L346-D369 WeakPolarHBondContact CB-O 3.27Å; L346-D369 PolarHBondContact N-O 3.38Å; L346-L370 HydrophobicContact CB-CD2 3.85Å; L346-L370 HydrophobicContact CD1-CD2 3.88Å; L346-N373 PolarHBondContact O-ND2 3.42Å
347	S	98.8	Very high	94.3	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.063	20%	0.198	C	C	.	.			trans	-61.2	153.9	-179.8	62.3	0	0	0	0	112	S323 Y324 N345 N349 D369 S371	S323-S347 CarbonylContact C-O 3.49Å; S323-S347 WeakPolarHBondContact CA-O 3.48Å; S323-S347 WeakPolarHBondContact CB-O 3.37Å; S323-S347 VanDerWaalsContact CB-OG 3.24Å; S323-S347 WeakPolarHBondContact CB-OG 3.44Å; Y324-S347 PolarHBondContact N-O 2.96Å; N345-S347 VanDerWaalsContact OD1-CB 3.32Å; N345-S347 WeakPolarHBondContact OD1-CB 3.25Å; N345-S347 PolarHBondContact OD1-N 2.89Å; N345-S347 PolarHBondContact OD1-OG 2.88Å; S347-N349 VanDerWaalsContact C-N 3.34Å; S347-N349 PolarHBondContact O-N 2.56Å; S347-N349 PolarHBondContact O-ND2 3.26Å; S347-D369 PolarHBondContact N-O 3.04Å; S347-S371 CarbonylContact C-O 3.46Å; S347-S371 WeakPolarHBondContact CA-O 3.44Å; S347-S371 WeakPolarHBondContact CB-O 3.41Å; S347-S371 VanDerWaalsContact CB-OG 3.29Å; S347-S371 WeakPolarHBondContact CB-OG 3.48Å
348	R	98.5	Very high	94.3	Very high	114 Å²	114	45 Å²	45	43%	0.43	21%	0.207	S	C	.	.	S	Bend	trans	55.7	48	175.8	-61	-82.4	-177.9	-172.2	-1.4	112.4	Y324 N325 S371 H372	Y324-R348 WeakPolarHBondContact CA-O 3.35Å; Y324-R348 HydrophobicContact CD1-CB 3.81Å; Y324-R348 HydrophobicContact CD1-CG 4.11Å; Y324-R348 HydrophobicContact CD2-CB 4.04Å; Y324-R348 HydrophobicContact CD2-CG 4.28Å; Y324-R348 HydrophobicContact CE1-CB 3.98Å; Y324-R348 HydrophobicContact CE1-CG 3.73Å; Y324-R348 HydrophobicContact CE2-CB 4.17Å; Y324-R348 HydrophobicContact CE2-CG 3.89Å; Y324-R348 HydrophobicContact CG-CB 3.85Å; Y324-R348 HydrophobicContact CG-CG 4.38Å; Y324-R348 PolarHBondContact N-O 3Å; N325-R348 PolarHBondContact N-O 2.54Å; R348-S371 PolarHBondContact N-O 3.02Å; R348-H372 VanDerWaalsContact CA-O 3.29Å; R348-H372 WeakPolarHBondContact CA-O 3.27Å; R348-H372 VanDerWaalsContact CD-CB 3.5Å; R348-H372 HydrophobicContact CG-CB 3.94Å; R348-H372 VanDerWaalsContact CZ-CG 3.46Å; R348-H372 PolarHBondContact N-O 2.91Å
349	N	98.3	Very high	94	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.059	24%	0.239	C	C	.	.	S	Bend	trans	-114.4	-171.5	170.7	-86.9	-84	0	0	0	109.9	L322 N325 I327 L346 S347 L351 N373	L322-N349 PolarHBondContact O-ND2 3.3Å; N325-N349 WeakPolarHBondContact CA-OD1 3.46Å; N325-N349 WeakPolarHBondContact CB-OD1 3.23Å; N325-N349 PolarHBondContact O-OD1 3.28Å; I327-N349 HydrophobicContact CB-CB 4.35Å; I327-N349 VanDerWaalsContact CB-OD1 3.22Å; I327-N349 WeakPolarHBondContact CB-OD1 3.1Å; I327-N349 VanDerWaalsContact CG1-OD1 3.24Å; I327-N349 WeakPolarHBondContact CG1-OD1 3.48Å; I327-N349 PolarHBondContact N-OD1 3.11Å; I327-N349 VanDerWaalsContact N-OD1 3.08Å; L346-N349 PolarHBondContact O-ND2 3.42Å; L346-N349 VanDerWaalsContact O-ND2 3.07Å; S347-N349 VanDerWaalsContact C-N 3.34Å; S347-N349 PolarHBondContact O-N 2.56Å; S347-N349 PolarHBondContact O-ND2 3.26Å; N349-L351 HydrophobicContact CB-CG 4.22Å; N349-N373 WeakPolarHBondContact CA-OD1 3.49Å; N349-N373 WeakPolarHBondContact CB-OD1 3.46Å; N349-N373 PolarHBondContact N-OD1 3.35Å; N349-N373 PolarHBondContact O-OD1 3.32Å; N349-N373 VanDerWaalsContact O-OD1 3.06Å
350	C	96.9	Very high	93.6	Very high	62 Å²	62	49.7 Å²	49.7	42%	0.419	25%	0.248	S	C	.	.			trans	-104.1	22.4	179.7	-62.9	0	0	0	0	112.4	I327 E328 R352	I327-C350 CarbonylContact O-C 2.95Å; I327-C350 WeakPolarHBondContact O-CA 3.3Å; I327-C350 PolarHBondContact O-N 2.92Å; E328-C350 HydrophobicContact CG-CB 3.88Å; C350-R352 PolarHBondContact O-N 3.29Å
351	L	96.9	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.			trans	-66.7	130.6	-173.2	-63.6	171.6	0	0	0	111.1	I327 I330 L346 N349 L370 N373 A374 L375	I327-L351 HydrophobicContact CG2-CD2 3.92Å; I327-L351 PolarHBondContact O-N 3.37Å; I327-L351 VanDerWaalsContact O-N 3.16Å; I330-L351 HydrophobicContact CD1-CD2 3.93Å; I330-L351 HydrophobicContact CG1-CD1 4.43Å; I330-L351 HydrophobicContact CG1-CD2 3.84Å; L346-L351 HydrophobicContact CB-CD1 4.22Å; L346-L351 HydrophobicContact CD1-CD1 4.4Å; N349-L351 HydrophobicContact CB-CG 4.22Å; L351-L370 HydrophobicContact CD1-CD2 3.8Å; L351-N373 HydrophobicContact CB-CB 4.17Å; L351-N373 VanDerWaalsContact CB-OD1 3.3Å; L351-N373 WeakPolarHBondContact CB-OD1 3.15Å; L351-N373 WeakPolarHBondContact CG-OD1 3.49Å; L351-N373 PolarHBondContact N-OD1 2.9Å; L351-A374 CarbonylContact O-C 3.19Å; L351-A374 VanDerWaalsContact O-CA 3.3Å; L351-A374 WeakPolarHBondContact O-CA 3.43Å; L351-A374 PolarHBondContact O-N 3.05Å; L351-L375 HydrophobicContact CB-CD2 3.8Å; L351-L375 HydrophobicContact CB-CG 4.45Å; L351-L375 PolarHBondContact O-N 2.7Å; L351-L375 VanDerWaalsContact O-N 3.11Å
352	R	95.4	Very high	93.1	Very high	164 Å²	164	48.7 Å²	48.7	62%	0.619	24%	0.241	S	C	*	.	S	Bend	trans	-101.9	-28	171.7	-64.1	-171.7	-172.5	-174.1	2.6	113.9	C350 A374 L375 E376 T377	C350-R352 PolarHBondContact O-N 3.29Å; R352-A374 WeakPolarHBondContact CA-O 3.44Å; R352-A374 HydrophobicContact CG-CB 4.42Å; R352-L375 CarbonylContact O-C 3.34Å; R352-L375 WeakPolarHBondContact O-CA 3.45Å; R352-E376 PolarHBondContact O-N 2.96Å; R352-T377 PolarHBondContact O-N 2.96Å
353	T	94.4	Very high	92.8	Very high	39 Å²	39	49.9 Å²	49.9	24%	0.239	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.9	177.9	67.4	0	0	0	0	109.3	L375 T377	T353-L375 VanDerWaalsContact C-CD2 3.48Å; T353-T377 WeakPolarHBondContact CG2-OG1 3.48Å
354	F	94.8	Very high	92.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.7	168.8	-177.9	-88.3	0	0	0	109.7	I330 L335 L346 A356 L368 L370 L375 T377 L378 E379 L380	I330-F354 HydrophobicContact CG1-CD2 4.22Å; I330-F354 HydrophobicContact CG1-CE2 4.36Å; L335-F354 HydrophobicContact CD1-CE2 4.4Å; L335-F354 HydrophobicContact CD1-CZ 4.24Å; L346-F354 HydrophobicContact CD1-CE2 4.08Å; F354-A356 HydrophobicContact CE1-CB 4.12Å; F354-L368 HydrophobicContact CE1-CD2 3.83Å; F354-L368 HydrophobicContact CZ-CD1 4.44Å; F354-L368 HydrophobicContact CZ-CD2 3.94Å; F354-L370 HydrophobicContact CB-CD1 4.14Å; F354-L370 HydrophobicContact CD1-CD1 3.81Å; F354-L370 HydrophobicContact CD2-CD1 4.09Å; F354-L370 HydrophobicContact CD2-CD2 3.72Å; F354-L370 HydrophobicContact CE1-CD1 4.23Å; F354-L370 HydrophobicContact CE2-CD1 4.48Å; F354-L370 HydrophobicContact CE2-CD2 4.13Å; F354-L370 HydrophobicContact CG-CD1 3.73Å; F354-L370 HydrophobicContact CG-CD2 4.13Å; F354-L375 HydrophobicContact CB-CD2 4.03Å; F354-T377 PolarHBondContact N-O 2.87Å; F354-L378 HydrophobicContact CB-CD1 3.97Å; F354-L378 HydrophobicContact CD1-CD1 3.83Å; F354-L378 HydrophobicContact CG-CD1 4.35Å; F354-E379 PolarHBondContact O-N 2.98Å; F354-L380 HydrophobicContact CD1-CD2 4.16Å; F354-L380 HydrophobicContact CE1-CD2 4.16Å
355	E	92	Very high	92.5	Very high	50 Å²	50	48.3 Å²	48.3	23%	0.234	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.5	-169.9	-55.8	177.3	144.6	0	0	109.9	R357 E379	E355-R357 VanDerWaalsContact CD-CZ 3.41Å; E355-R357 VanDerWaalsContact CD-NH2 3.35Å; E355-R357 IonicContact OE1-CZ 3.09Å; E355-R357 IonicContact OE1-NH1 3.15Å; E355-R357 PolarHBondContact OE1-NH1 2.89Å; E355-R357 IonicContact OE1-NH2 2.59Å; E355-R357 IonicContact OE2-CZ 3.85Å; E355-R357 IonicContact OE2-NH1 3.77Å; E355-R357 PolarHBondContact OE2-NH1 3.34Å; E355-R357 VanDerWaalsContact OE2-NH1 3.15Å; E355-R357 IonicContact OE2-NH2 2.73Å; E355-R357 PolarHBondContact OE2-NH2 3.18Å; E355-E379 CarbonylContact C-O 3.54Å; E355-E379 WeakPolarHBondContact CA-O 3.5Å; E355-E379 HydrophobicContact CB-CB 4.38Å; E355-E379 HydrophobicContact CG-CB 4.16Å; E355-E379 HydrophobicContact CG-CG 4.44Å
356	A	90.4	Very high	92.4	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	66.6	173.9	0	0	0	0	0	108.7	F354 E379 L380 G381 A384 L385	F354-A356 HydrophobicContact CE1-CB 4.12Å; A356-E379 PolarHBondContact N-O 3.18Å; A356-L380 HydrophobicContact CB-CD2 4.32Å; A356-G381 WeakPolarHBondContact O-CA 3.09Å; A356-G381 PolarHBondContact O-N 3.38Å; A356-A384 VanDerWaalsContact O-CB 3.27Å; A356-A384 WeakPolarHBondContact O-CB 3.34Å; A356-L385 HydrophobicContact CB-CD1 4.43Å; A356-L385 HydrophobicContact CB-CG 4.46Å
357	R	84.9	Confident	92.4	Very high	120 Å²	120	52.3 Å²	52.3	45%	0.453	27%	0.267	S	S	.	.			trans	-76.7	-33.5	-170.7	-70.3	-172.8	-87.7	-113.6	1.1	114	E355 S359 E379	E355-R357 VanDerWaalsContact CD-CZ 3.41Å; E355-R357 VanDerWaalsContact CD-NH2 3.35Å; E355-R357 IonicContact OE1-CZ 3.09Å; E355-R357 IonicContact OE1-NH1 3.15Å; E355-R357 PolarHBondContact OE1-NH1 2.89Å; E355-R357 IonicContact OE1-NH2 2.59Å; E355-R357 IonicContact OE2-CZ 3.85Å; E355-R357 IonicContact OE2-NH1 3.77Å; E355-R357 PolarHBondContact OE2-NH1 3.34Å; E355-R357 VanDerWaalsContact OE2-NH1 3.15Å; E355-R357 IonicContact OE2-NH2 2.73Å; E355-R357 PolarHBondContact OE2-NH2 3.18Å; R357-S359 PolarHBondContact O-N 2.94Å; R357-E379 WeakPolarHBondContact CD-OE2 3.23Å; R357-E379 IonicContact CZ-OE2 3.62Å; R357-E379 IonicContact NE-OE2 2.83Å; R357-E379 IonicContact NH1-OE2 3.71Å; R357-E379 PolarHBondContact NH1-OE2 3.37Å
358	R	82.6	Confident	92.4	Very high	147 Å²	147	51.9 Å²	51.9	56%	0.555	26%	0.264	S	S	*	.	S	Bend	trans	-71.1	128.3	-174.4	-64.6	-172.4	66.8	173.9	-5.1	110.8	E336 G360 S361 A384	E336-R358 WeakPolarHBondContact OE1-CD 3.46Å; E336-R358 IonicContact OE1-CZ 3.16Å; E336-R358 IonicContact OE1-NE 3.29Å; E336-R358 IonicContact OE1-NH1 2.73Å; E336-R358 PolarHBondContact OE1-NH1 3.02Å; E336-R358 IonicContact OE2-NH1 2.76Å; E336-R358 PolarHBondContact OE2-NH1 3.22Å; R358-G360 PolarHBondContact O-N 2.67Å; R358-S361 VanDerWaalsContact O-CB 3.26Å; R358-S361 WeakPolarHBondContact O-CB 3.27Å; R358-S361 PolarHBondContact O-N 3.3Å; R358-A384 WeakPolarHBondContact O-CB 3.21Å
359	S	81.8	Confident	92.4	Very high	96 Å²	96	47.4 Å²	47.4	67%	0.671	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.9	171.8	-173.2	0	0	0	0	110.1	R357 S361	R357-S359 PolarHBondContact O-N 2.94Å; S359-S361 VanDerWaalsContact C-N 3.32Å
360	G	80.8	Confident	92.4	Very high	43 Å²	43	46.9 Å²	46.9	44%	0.443	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	14.4	-174.8	0	0	0	0	0	115.7	R358 P363 R383	R358-G360 PolarHBondContact O-N 2.67Å; G360-P363 WeakPolarHBondContact O-CD 3.49Å; G360-R383 PolarHBondContact N-O 3.05Å
361	S	85.9	Confident	92.5	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	23%	0.228	C	C	.	.	S	Bend	trans	-67.2	131.6	167.1	-171.8	0	0	0	0	110.3	R358 S359 A384	R358-S361 VanDerWaalsContact O-CB 3.26Å; R358-S361 WeakPolarHBondContact O-CB 3.27Å; R358-S361 PolarHBondContact O-N 3.3Å; S359-S361 VanDerWaalsContact C-N 3.32Å; S361-A384 CarbonylContact O-C 3.6Å
362	L	90.4	Very high	92.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	48.8	58	179.7	-51.6	171.7	0	0	0	113	L335 L338 L341 L344 C364 L365 L385	L335-L362 HydrophobicContact CD1-CD1 4.49Å; L335-L362 HydrophobicContact CD2-CD1 4.12Å; L338-L362 HydrophobicContact CB-CD2 3.72Å; L338-L362 WeakPolarHBondContact O-CD2 3.47Å; L341-L362 HydrophobicContact CD2-CD2 4.42Å; L344-L362 HydrophobicContact CD2-CD1 4.46Å; L362-C364 VanDerWaalsContact C-N 3.27Å; L362-C364 PolarHBondContact O-N 3.26Å; L362-L365 HydrophobicContact CB-CB 3.92Å; L362-L365 HydrophobicContact CB-CD2 4.23Å; L362-L365 HydrophobicContact CD1-CD2 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.49Å; L362-L365 PolarHBondContact O-N 2.93Å; L362-L385 HydrophobicContact CB-CD2 3.85Å; L362-L385 HydrophobicContact CD1-CD2 4.11Å; L362-L385 HydrophobicContact CG-CD2 4.49Å
363	P	91.1	Very high	92.8	Very high	50 Å²	50	40.4 Å²	40.4	33%	0.325	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.2	-168.3	28.8	-35.9	0	0	0	113.5	T339 G360 S387	T339-P363 WeakPolarHBondContact O-CD 2.97Å; T339-P363 WeakPolarHBondContact O-CG 3.17Å; G360-P363 WeakPolarHBondContact O-CD 3.49Å; P363-S387 VanDerWaalsContact O-CB 3.22Å; P363-S387 WeakPolarHBondContact O-CB 3.49Å; P363-S387 PolarHBondContact O-OG 3Å
364	C	94.1	Very high	92.9	Very high	55 Å²	55	40.5 Å²	40.5	37%	0.372	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.6	-179	-64.5	0	0	0	0	113.5	L341 L362 M366	L341-C364 CarbonylContact O-C 3.59Å; L362-C364 VanDerWaalsContact C-N 3.27Å; L362-C364 PolarHBondContact O-N 3.26Å; C364-M366 PolarHBondContact O-N 3.35Å
365	L	96.3	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.			trans	-68.3	119.4	-172.9	-167.9	72.5	0	0	0	110.3	L341 L344 L362 L367 L368 L385 S387 L388	L341-L365 HydrophobicContact CD2-CD1 4.15Å; L341-L365 HydrophobicContact CG-CD1 4.22Å; L341-L365 WeakPolarHBondContact O-CA 3.28Å; L341-L365 PolarHBondContact O-N 3.14Å; L344-L365 HydrophobicContact CB-CD1 3.74Å; L362-L365 HydrophobicContact CB-CB 3.92Å; L362-L365 HydrophobicContact CB-CD2 4.23Å; L362-L365 HydrophobicContact CD1-CD2 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.49Å; L362-L365 PolarHBondContact O-N 2.93Å; L365-L367 WeakPolarHBondContact CD1-O 3.45Å; L365-L368 HydrophobicContact CD2-CB 3.9Å; L365-L368 HydrophobicContact CD2-CD1 4.34Å; L365-L368 HydrophobicContact CD2-CD2 4.32Å; L365-L368 HydrophobicContact CD2-CG 4.42Å; L365-L385 HydrophobicContact CD2-CD2 4.02Å; L365-S387 CarbonylContact O-C 3.05Å; L365-L388 HydrophobicContact CD2-CD1 4.17Å; L365-L388 HydrophobicContact CG-CD1 4.17Å; L365-L388 WeakPolarHBondContact O-CA 3.41Å; L365-L388 PolarHBondContact O-N 2.94Å
366	M	97.8	Very high	93.2	Very high	67 Å²	67	43.5 Å²	43.5	33%	0.33	24%	0.237	S	C	.	.			trans	-101	-33.9	-179.2	-66.1	179.7	61.3	0	0	111.7	C342 C364 R389 T390	C342-M366 PolarHBondContact O-N 2.97Å; C364-M366 PolarHBondContact O-N 3.35Å; M366-R389 PolarHBondContact O-N 2.98Å; M366-T390 PolarHBondContact O-N 2.86Å
367	L	98.6	Very high	93.2	Very high	48 Å²	48	46.2 Å²	46.2	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	179.5	-175	152.3	0	0	0	110.2	C342 F343 L344 L365 D369 T390	C342-L367 PolarHBondContact O-N 2.78Å; C342-L367 VanDerWaalsContact O-N 3.14Å; F343-L367 HydrophobicContact CD1-CB 3.8Å; F343-L367 HydrophobicContact CE1-CB 4.28Å; L344-L367 PolarHBondContact N-O 2.92Å; L365-L367 WeakPolarHBondContact CD1-O 3.45Å; L367-D369 HydrophobicContact CD2-CB 4.18Å; L367-T390 WeakPolarHBondContact CA-O 3.3Å; L367-T390 HydrophobicContact CD1-CG2 4.12Å; L367-T390 HydrophobicContact CG-CG2 4.16Å
368	L	98.6	Very high	93.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.9	171.5	179	55.9	0	0	0	108.7	L344 F354 L365 L370 L385 L388 T390 L391 L392	L344-L368 HydrophobicContact CB-CD1 4.04Å; L344-L368 HydrophobicContact CD2-CD1 3.89Å; L344-L368 HydrophobicContact CG-CD1 3.97Å; L344-L368 WeakPolarHBondContact O-CA 3.36Å; F354-L368 HydrophobicContact CE1-CD2 3.83Å; F354-L368 HydrophobicContact CZ-CD1 4.44Å; F354-L368 HydrophobicContact CZ-CD2 3.94Å; L365-L368 HydrophobicContact CD2-CB 3.9Å; L365-L368 HydrophobicContact CD2-CD1 4.34Å; L365-L368 HydrophobicContact CD2-CD2 4.32Å; L365-L368 HydrophobicContact CD2-CG 4.42Å; L368-L370 HydrophobicContact CD1-CD1 4.35Å; L368-L370 HydrophobicContact CD1-CD2 4.45Å; L368-L370 HydrophobicContact CD1-CG 4.05Å; L368-L370 HydrophobicContact CD2-CD1 3.81Å; L368-L370 HydrophobicContact CD2-CG 4.38Å; L368-L370 HydrophobicContact CG-CD1 3.94Å; L368-L370 HydrophobicContact CG-CG 3.97Å; L368-L385 HydrophobicContact CD2-CD1 4.29Å; L368-L388 HydrophobicContact CB-CD1 3.77Å; L368-T390 PolarHBondContact N-O 3.32Å; L368-L391 HydrophobicContact CB-CD1 4.06Å; L368-L391 HydrophobicContact CD2-CD1 3.99Å; L368-L391 HydrophobicContact CG-CD1 4.05Å; L368-L392 PolarHBondContact O-N 3.28Å
369	D	98.9	Very high	94.1	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.6	173.5	-165.7	-18.4	0	0	0	110.4	L344 N345 L346 S347 L367 S371 L392	L344-D369 PolarHBondContact O-N 2.93Å; N345-D369 HydrophobicContact CB-CB 4.49Å; L346-D369 CarbonylContact C-O 3.57Å; L346-D369 WeakPolarHBondContact CA-O 3.27Å; L346-D369 WeakPolarHBondContact CB-O 3.27Å; L346-D369 PolarHBondContact N-O 3.38Å; S347-D369 PolarHBondContact N-O 3.04Å; L367-D369 HydrophobicContact CD2-CB 4.18Å; D369-S371 WeakPolarHBondContact OD1-CB 3.39Å; D369-S371 PolarHBondContact OD1-N 3.39Å; D369-S371 PolarHBondContact OD1-OG 2.91Å; D369-L392 HydrophobicContact CB-CB 4.3Å; D369-L392 HydrophobicContact CB-CD1 4.16Å; D369-L392 WeakPolarHBondContact OD2-CD1 3.37Å
370	L	98.7	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.			trans	-119.6	18.2	176.6	-72.3	168	0	0	0	110.7	L346 L351 F354 L368 N373 L375 L378 L392 L393 N396	L346-L370 HydrophobicContact CB-CD2 3.85Å; L346-L370 HydrophobicContact CD1-CD2 3.88Å; L351-L370 HydrophobicContact CD1-CD2 3.8Å; F354-L370 HydrophobicContact CB-CD1 4.14Å; F354-L370 HydrophobicContact CD1-CD1 3.81Å; F354-L370 HydrophobicContact CD2-CD1 4.09Å; F354-L370 HydrophobicContact CD2-CD2 3.72Å; F354-L370 HydrophobicContact CE1-CD1 4.23Å; F354-L370 HydrophobicContact CE2-CD1 4.48Å; F354-L370 HydrophobicContact CE2-CD2 4.13Å; F354-L370 HydrophobicContact CG-CD1 3.73Å; F354-L370 HydrophobicContact CG-CD2 4.13Å; L368-L370 HydrophobicContact CD1-CD1 4.35Å; L368-L370 HydrophobicContact CD1-CD2 4.45Å; L368-L370 HydrophobicContact CD1-CG 4.05Å; L368-L370 HydrophobicContact CD2-CD1 3.81Å; L368-L370 HydrophobicContact CD2-CG 4.38Å; L368-L370 HydrophobicContact CG-CD1 3.94Å; L368-L370 HydrophobicContact CG-CG 3.97Å; L370-N373 PolarHBondContact O-ND2 3.5Å; L370-N373 VanDerWaalsContact O-ND2 3.13Å; L370-L375 HydrophobicContact CB-CD1 3.91Å; L370-L375 HydrophobicContact CD1-CD1 4.26Å; L370-L375 HydrophobicContact CG-CD1 4.49Å; L370-L378 HydrophobicContact CD1-CD1 4.36Å; L370-L392 CarbonylContact C-O 3.05Å; L370-L392 WeakPolarHBondContact CA-O 3.12Å; L370-L392 PolarHBondContact N-O 2.99Å; L370-L393 HydrophobicContact CB-CD2 3.79Å; L370-L393 HydrophobicContact CD1-CD2 4Å; L370-N396 PolarHBondContact O-ND2 3.34Å
371	S	98.8	Very high	94.8	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.028	18%	0.182	C	C	.	.			trans	-67.1	154.6	-175	64.2	0	0	0	0	113.1	S347 R348 D369 N373 L392 Q394	S347-S371 CarbonylContact C-O 3.46Å; S347-S371 WeakPolarHBondContact CA-O 3.44Å; S347-S371 WeakPolarHBondContact CB-O 3.41Å; S347-S371 VanDerWaalsContact CB-OG 3.29Å; S347-S371 WeakPolarHBondContact CB-OG 3.48Å; R348-S371 PolarHBondContact N-O 3.02Å; D369-S371 WeakPolarHBondContact OD1-CB 3.39Å; D369-S371 PolarHBondContact OD1-N 3.39Å; D369-S371 PolarHBondContact OD1-OG 2.91Å; S371-N373 VanDerWaalsContact C-N 3.3Å; S371-N373 PolarHBondContact O-N 3.38Å; S371-N373 PolarHBondContact O-ND2 2.95Å; S371-L392 PolarHBondContact N-O 3.48Å; S371-Q394 CarbonylContact C-O 3.5Å; S371-Q394 VanDerWaalsContact CA-O 3.26Å; S371-Q394 WeakPolarHBondContact CA-O 3.49Å; S371-Q394 WeakPolarHBondContact CB-O 3.36Å; S371-Q394 PolarHBondContact OG-NE2 3.1Å
372	H	98.6	Very high	94.6	Very high	71 Å²	71	34.5 Å²	34.5	33%	0.329	20%	0.201	S	C	.	.	S	Bend	trans	53.9	44.5	176.4	-56.3	-67.5	0	0	0	113.4	R348 Q394 G395	R348-H372 VanDerWaalsContact CA-O 3.29Å; R348-H372 WeakPolarHBondContact CA-O 3.27Å; R348-H372 VanDerWaalsContact CD-CB 3.5Å; R348-H372 HydrophobicContact CG-CB 3.94Å; R348-H372 VanDerWaalsContact CZ-CG 3.46Å; R348-H372 PolarHBondContact N-O 2.91Å; H372-Q394 PolarHBondContact N-O 2.98Å; H372-G395 VanDerWaalsContact CA-O 3.27Å; H372-G395 WeakPolarHBondContact CA-O 3.43Å
373	N	98.5	Very high	94.2	Very high	14 Å²	14	44.2 Å²	44.2	8%	0.075	24%	0.238	C	C	.	.	S	Bend	trans	-107.8	-165.9	170	-84.8	-86.6	0	0	0	109.2	L346 N349 L351 L370 S371 L375 N396	L346-N373 PolarHBondContact O-ND2 3.42Å; N349-N373 WeakPolarHBondContact CA-OD1 3.49Å; N349-N373 WeakPolarHBondContact CB-OD1 3.46Å; N349-N373 PolarHBondContact N-OD1 3.35Å; N349-N373 PolarHBondContact O-OD1 3.32Å; N349-N373 VanDerWaalsContact O-OD1 3.06Å; L351-N373 HydrophobicContact CB-CB 4.17Å; L351-N373 VanDerWaalsContact CB-OD1 3.3Å; L351-N373 WeakPolarHBondContact CB-OD1 3.15Å; L351-N373 WeakPolarHBondContact CG-OD1 3.49Å; L351-N373 PolarHBondContact N-OD1 2.9Å; L370-N373 PolarHBondContact O-ND2 3.5Å; L370-N373 VanDerWaalsContact O-ND2 3.13Å; S371-N373 VanDerWaalsContact C-N 3.3Å; S371-N373 PolarHBondContact O-N 3.38Å; S371-N373 PolarHBondContact O-ND2 2.95Å; N373-L375 HydrophobicContact CB-CG 4.12Å; N373-N396 VanDerWaalsContact CA-OD1 3.3Å; N373-N396 WeakPolarHBondContact CA-OD1 3.1Å; N373-N396 WeakPolarHBondContact CB-OD1 3.24Å; N373-N396 PolarHBondContact N-OD1 3.26Å; N373-N396 PolarHBondContact O-OD1 3.42Å
374	A	97.3	Very high	93.9	Very high	42 Å²	42	41.9 Å²	41.9	35%	0.347	22%	0.223	S	C	.	.			trans	-111.9	33.6	173.2	0	0	0	0	0	111.3	L351 R352 E376	L351-A374 CarbonylContact O-C 3.19Å; L351-A374 VanDerWaalsContact O-CA 3.3Å; L351-A374 WeakPolarHBondContact O-CA 3.43Å; L351-A374 PolarHBondContact O-N 3.05Å; R352-A374 WeakPolarHBondContact CA-O 3.44Å; R352-A374 HydrophobicContact CG-CB 4.42Å; A374-E376 PolarHBondContact O-N 2.97Å
375	L	97.7	Very high	93.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.			trans	-64.1	120.9	-172.4	-68.6	174.7	0	0	0	111	L351 R352 T353 F354 L370 N373 L393 N396 A397 L398	L351-L375 HydrophobicContact CB-CD2 3.8Å; L351-L375 HydrophobicContact CB-CG 4.45Å; L351-L375 PolarHBondContact O-N 2.7Å; L351-L375 VanDerWaalsContact O-N 3.11Å; R352-L375 CarbonylContact O-C 3.34Å; R352-L375 WeakPolarHBondContact O-CA 3.45Å; T353-L375 VanDerWaalsContact C-CD2 3.48Å; F354-L375 HydrophobicContact CB-CD2 4.03Å; L370-L375 HydrophobicContact CB-CD1 3.91Å; L370-L375 HydrophobicContact CD1-CD1 4.26Å; L370-L375 HydrophobicContact CG-CD1 4.49Å; N373-L375 HydrophobicContact CB-CG 4.12Å; L375-L393 HydrophobicContact CD1-CD2 3.98Å; L375-N396 HydrophobicContact CB-CB 4.08Å; L375-N396 VanDerWaalsContact CB-OD1 3.28Å; L375-N396 WeakPolarHBondContact CB-OD1 3.18Å; L375-N396 WeakPolarHBondContact CG-OD1 3.45Å; L375-N396 PolarHBondContact N-OD1 2.85Å; L375-A397 CarbonylContact O-C 3.47Å; L375-A397 VanDerWaalsContact O-CA 3.28Å; L375-A397 WeakPolarHBondContact O-CA 3.22Å; L375-A397 PolarHBondContact O-N 3.45Å; L375-L398 HydrophobicContact CB-CD2 3.86Å; L375-L398 HydrophobicContact CB-CG 4.41Å; L375-L398 WeakPolarHBondContact O-CD2 3.3Å; L375-L398 PolarHBondContact O-N 3.46Å; L375-L398 VanDerWaalsContact O-N 3.08Å
376	E	94.7	Very high	93.3	Very high	115 Å²	115	41 Å²	41	54%	0.537	22%	0.221	S	C	.	.			trans	-99.6	-37.8	172.8	-66.4	176.7	-164.2	0	0	110.6	R352 A374 A397	R352-E376 PolarHBondContact O-N 2.96Å; A374-E376 PolarHBondContact O-N 2.97Å; E376-A397 HydrophobicContact CG-CB 4.3Å
377	T	92.3	Very high	93.1	Very high	58 Å²	58	40.1 Å²	40.1	36%	0.356	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.4	179	68.9	0	0	0	0	112	R352 T353 F354	R352-T377 PolarHBondContact O-N 2.96Å; T353-T377 WeakPolarHBondContact CG2-OG1 3.48Å; F354-T377 PolarHBondContact N-O 2.87Å
378	L	94.3	Very high	93.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	116.5	178.6	178.9	69.3	0	0	0	109	F354 L370 L380 L393 L398 L401 T405 F406	F354-L378 HydrophobicContact CB-CD1 3.97Å; F354-L378 HydrophobicContact CD1-CD1 3.83Å; F354-L378 HydrophobicContact CG-CD1 4.35Å; L370-L378 HydrophobicContact CD1-CD1 4.36Å; L378-L380 HydrophobicContact CD1-CD2 3.9Å; L378-L380 HydrophobicContact CD1-CG 4.2Å; L378-L380 HydrophobicContact CD2-CD1 4.15Å; L378-L380 HydrophobicContact CD2-CG 4.34Å; L378-L380 HydrophobicContact CG-CD1 4.36Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.02Å; L378-L393 HydrophobicContact CD2-CD1 3.68Å; L378-L393 HydrophobicContact CD2-CD2 4.2Å; L378-L398 HydrophobicContact CB-CD2 4.27Å; L378-L401 HydrophobicContact CB-CD2 3.86Å; L378-T405 HydrophobicContact CD2-CG2 4.25Å; L378-F406 HydrophobicContact CD2-CE1 3.93Å; L378-F406 HydrophobicContact CD2-CZ 4.25Å
379	E	91.5	Very high	93.1	Very high	83 Å²	83	43.1 Å²	43.1	39%	0.388	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105.2	178.2	-63.5	-164.5	164	0	0	111.2	F354 E355 A356 R357	F354-E379 PolarHBondContact O-N 2.98Å; E355-E379 CarbonylContact C-O 3.54Å; E355-E379 WeakPolarHBondContact CA-O 3.5Å; E355-E379 HydrophobicContact CB-CB 4.38Å; E355-E379 HydrophobicContact CG-CB 4.16Å; E355-E379 HydrophobicContact CG-CG 4.44Å; A356-E379 PolarHBondContact N-O 3.18Å; R357-E379 WeakPolarHBondContact CD-OE2 3.23Å; R357-E379 IonicContact CZ-OE2 3.62Å; R357-E379 IonicContact NE-OE2 2.83Å; R357-E379 IonicContact NH1-OE2 3.71Å; R357-E379 PolarHBondContact NH1-OE2 3.37Å
380	L	91.4	Very high	93.1	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.2	176.8	-55.3	-176.7	0	0	0	109.4	F354 A356 L378 L385 L391 L409	F354-L380 HydrophobicContact CD1-CD2 4.16Å; F354-L380 HydrophobicContact CE1-CD2 4.16Å; A356-L380 HydrophobicContact CB-CD2 4.32Å; L378-L380 HydrophobicContact CD1-CD2 3.9Å; L378-L380 HydrophobicContact CD1-CG 4.2Å; L378-L380 HydrophobicContact CD2-CD1 4.15Å; L378-L380 HydrophobicContact CD2-CG 4.34Å; L378-L380 HydrophobicContact CG-CD1 4.36Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.02Å; L380-L385 HydrophobicContact CD1-CD1 4.43Å; L380-L385 HydrophobicContact CD2-CD1 3.78Å; L380-L391 HydrophobicContact CD1-CD2 4.07Å; L380-L409 HydrophobicContact CD1-CD1 3.86Å; L380-L409 HydrophobicContact CD1-CD2 4.28Å; L380-L409 HydrophobicContact CD1-CG 4.44Å
381	G	84.6	Confident	93.1	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	23%	0.234	C	C	.	.			trans	-61.4	143	179.3	0	0	0	0	0	111.9	A356 R383 A384	A356-G381 WeakPolarHBondContact O-CA 3.09Å; A356-G381 PolarHBondContact O-N 3.38Å; G381-R383 PolarHBondContact O-N 2.8Å; G381-A384 WeakPolarHBondContact O-CB 3.29Å; G381-A384 PolarHBondContact O-N 3.05Å
382	A	82.3	Confident	93.1	Very high	61 Å²	61	44.7 Å²	44.7	50%	0.504	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	126.4	174.4	0	0	0	0	0	110.1	A384	A382-A384 PolarHBondContact O-N 3.25Å
383	R	81.6	Confident	93.1	Very high	208 Å²	208	41.3 Å²	41.3	79%	0.785	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	20.1	-176.5	-48.2	179.8	179.2	-175.9	-0.6	115.1	G360 G381	G360-R383 PolarHBondContact N-O 3.05Å; G381-R383 PolarHBondContact O-N 2.8Å
384	A	85.9	Confident	93.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	23%	0.226	C	C	.	.	S	Bend	trans	-69.2	-70.5	167.6	0	0	0	0	0	109.5	A356 R358 S361 G381 A382 G386	A356-A384 VanDerWaalsContact O-CB 3.27Å; A356-A384 WeakPolarHBondContact O-CB 3.34Å; R358-A384 WeakPolarHBondContact O-CB 3.21Å; S361-A384 CarbonylContact O-C 3.6Å; G381-A384 WeakPolarHBondContact O-CB 3.29Å; G381-A384 PolarHBondContact O-N 3.05Å; A382-A384 PolarHBondContact O-N 3.25Å; A384-G386 VanDerWaalsContact C-N 3.33Å; A384-G386 PolarHBondContact O-N 2.85Å
385	L	91.4	Very high	93.1	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	22%	0.223	C	C	.	.	S	Bend	trans	-89.7	59	-172.8	-55.2	173.1	0	0	0	112.2	A356 L362 L365 L368 L380 S387 L388 L409	A356-L385 HydrophobicContact CB-CD1 4.43Å; A356-L385 HydrophobicContact CB-CG 4.46Å; L362-L385 HydrophobicContact CB-CD2 3.85Å; L362-L385 HydrophobicContact CD1-CD2 4.11Å; L362-L385 HydrophobicContact CG-CD2 4.49Å; L365-L385 HydrophobicContact CD2-CD2 4.02Å; L368-L385 HydrophobicContact CD2-CD1 4.29Å; L380-L385 HydrophobicContact CD1-CD1 4.43Å; L380-L385 HydrophobicContact CD2-CD1 3.78Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 3.39Å; L385-L388 HydrophobicContact CB-CB 3.98Å; L385-L388 HydrophobicContact CB-CD2 4.25Å; L385-L388 HydrophobicContact CD1-CD2 4.03Å; L385-L388 WeakPolarHBondContact O-CB 3.33Å; L385-L388 PolarHBondContact O-N 3.01Å; L385-L409 HydrophobicContact CB-CD2 3.89Å; L385-L409 HydrophobicContact CD1-CD2 4.44Å
386	G	85.9	Confident	93.2	Very high	32 Å²	32	42 Å²	42	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.9	-169	0	0	0	0	0	115.7	A384 S411	A384-G386 VanDerWaalsContact C-N 3.33Å; A384-G386 PolarHBondContact O-N 2.85Å; G386-S411 WeakPolarHBondContact O-CB 3.42Å; G386-S411 PolarHBondContact O-OG 3.49Å
387	S	94.8	Very high	93.3	Very high	49 Å²	49	38.4 Å²	38.4	34%	0.343	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	1.9	-178.4	-56.3	0	0	0	0	114	P363 L365 L385 R389	P363-S387 VanDerWaalsContact O-CB 3.22Å; P363-S387 WeakPolarHBondContact O-CB 3.49Å; P363-S387 PolarHBondContact O-OG 3Å; L365-S387 CarbonylContact O-C 3.05Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 3.39Å; S387-R389 PolarHBondContact O-N 2.84Å
388	L	97.3	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.			trans	-67.3	124	-172.6	-170.9	72.5	0	0	0	110.8	L365 L368 L385 L391 L409 S411 L412	L365-L388 HydrophobicContact CD2-CD1 4.17Å; L365-L388 HydrophobicContact CG-CD1 4.17Å; L365-L388 WeakPolarHBondContact O-CA 3.41Å; L365-L388 PolarHBondContact O-N 2.94Å; L368-L388 HydrophobicContact CB-CD1 3.77Å; L385-L388 HydrophobicContact CB-CB 3.98Å; L385-L388 HydrophobicContact CB-CD2 4.25Å; L385-L388 HydrophobicContact CD1-CD2 4.03Å; L385-L388 WeakPolarHBondContact O-CB 3.33Å; L385-L388 PolarHBondContact O-N 3.01Å; L388-L391 HydrophobicContact CD2-CB 4.16Å; L388-L391 HydrophobicContact CD2-CD1 4.4Å; L388-L391 HydrophobicContact CD2-CD2 4.43Å; L388-L409 HydrophobicContact CD2-CD1 4.15Å; L388-L409 HydrophobicContact CD2-CD2 4.33Å; L388-S411 CarbonylContact O-C 3.43Å; L388-S411 VanDerWaalsContact O-O 3.13Å; L388-L412 VanDerWaalsContact O-CA 3.31Å; L388-L412 WeakPolarHBondContact O-CA 3.46Å; L388-L412 PolarHBondContact O-N 3.21Å; L388-L412 VanDerWaalsContact O-N 3.15Å
389	R	98.2	Very high	93.3	Very high	112 Å²	112	42.8 Å²	42.8	42%	0.423	23%	0.227	S	C	.	.			trans	-109.1	-36.1	179.7	-61	-172.9	-178.5	-154.8	0.2	112.2	M366 S387 Q413 R414	M366-R389 PolarHBondContact O-N 2.98Å; S387-R389 PolarHBondContact O-N 2.84Å; R389-Q413 WeakPolarHBondContact O-CA 3.34Å; R389-Q413 PolarHBondContact O-N 3Å; R389-R414 PolarHBondContact O-N 3.32Å
390	T	98.8	Very high	93	Very high	33 Å²	33	43.4 Å²	43.4	20%	0.202	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.3	-176.8	-58.3	0	0	0	0	109.8	M366 L367 L368 L392 R414	M366-T390 PolarHBondContact O-N 2.86Å; L367-T390 WeakPolarHBondContact CA-O 3.3Å; L367-T390 HydrophobicContact CD1-CG2 4.12Å; L367-T390 HydrophobicContact CG-CG2 4.16Å; L368-T390 PolarHBondContact N-O 3.32Å; T390-L392 HydrophobicContact CG2-CD1 4.48Å; T390-L392 HydrophobicContact CG2-CD2 3.82Å; T390-L392 HydrophobicContact CG2-CG 3.95Å; T390-R414 WeakPolarHBondContact CA-O 3.37Å; T390-R414 HydrophobicContact CG2-CB 4.31Å; T390-R414 HydrophobicContact CG2-CG 4.47Å
391	L	98.7	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.9	173.9	-178.3	55.9	0	0	0	109.4	L368 L380 L388 L393 F406 L409 L412 R414 L415 N416	L368-L391 HydrophobicContact CB-CD1 4.06Å; L368-L391 HydrophobicContact CD2-CD1 3.99Å; L368-L391 HydrophobicContact CG-CD1 4.05Å; L380-L391 HydrophobicContact CD1-CD2 4.07Å; L388-L391 HydrophobicContact CD2-CB 4.16Å; L388-L391 HydrophobicContact CD2-CD1 4.4Å; L388-L391 HydrophobicContact CD2-CD2 4.43Å; L391-L393 HydrophobicContact CD1-CD1 4.32Å; L391-L393 HydrophobicContact CD1-CD2 4.43Å; L391-L393 HydrophobicContact CD1-CG 4.13Å; L391-L393 HydrophobicContact CD2-CD1 3.82Å; L391-L393 HydrophobicContact CG-CD1 3.8Å; L391-L393 HydrophobicContact CG-CG 3.98Å; L391-F406 HydrophobicContact CD2-CD1 4Å; L391-F406 HydrophobicContact CD2-CE1 3.8Å; L391-L409 HydrophobicContact CD2-CD1 4.06Å; L391-L412 HydrophobicContact CB-CD1 3.83Å; L391-R414 PolarHBondContact N-O 3.26Å; L391-L415 HydrophobicContact CB-CD1 4.04Å; L391-L415 HydrophobicContact CD2-CD1 4Å; L391-L415 HydrophobicContact CG-CD1 4.03Å; L391-L415 WeakPolarHBondContact O-CA 3.34Å; L391-N416 PolarHBondContact O-N 3.04Å
392	L	98.9	Very high	93.1	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.5	-179.8	-54.1	179.2	0	0	0	108.9	L368 D369 L370 S371 T390 N416	L368-L392 PolarHBondContact O-N 3.28Å; D369-L392 HydrophobicContact CB-CB 4.3Å; D369-L392 HydrophobicContact CB-CD1 4.16Å; D369-L392 WeakPolarHBondContact OD2-CD1 3.37Å; L370-L392 CarbonylContact C-O 3.05Å; L370-L392 WeakPolarHBondContact CA-O 3.12Å; L370-L392 PolarHBondContact N-O 2.99Å; S371-L392 PolarHBondContact N-O 3.48Å; T390-L392 HydrophobicContact CG2-CD1 4.48Å; T390-L392 HydrophobicContact CG2-CD2 3.82Å; T390-L392 HydrophobicContact CG2-CG 3.95Å; L392-N416 HydrophobicContact CD2-CB 3.9Å
393	L	98.8	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.			trans	-130.8	12	-175.9	-70.3	165.9	0	0	0	111.6	L370 L375 L378 L391 N396 L398 F406 L415 N416 L417 N420	L370-L393 HydrophobicContact CB-CD2 3.79Å; L370-L393 HydrophobicContact CD1-CD2 4Å; L375-L393 HydrophobicContact CD1-CD2 3.98Å; L378-L393 HydrophobicContact CD2-CD1 3.68Å; L378-L393 HydrophobicContact CD2-CD2 4.2Å; L391-L393 HydrophobicContact CD1-CD1 4.32Å; L391-L393 HydrophobicContact CD1-CD2 4.43Å; L391-L393 HydrophobicContact CD1-CG 4.13Å; L391-L393 HydrophobicContact CD2-CD1 3.82Å; L391-L393 HydrophobicContact CG-CD1 3.8Å; L391-L393 HydrophobicContact CG-CG 3.98Å; L393-N396 PolarHBondContact O-ND2 3.47Å; L393-L398 HydrophobicContact CB-CD1 4.14Å; L393-L398 HydrophobicContact CD1-CD1 4.18Å; L393-L398 HydrophobicContact CD2-CD1 4.29Å; L393-L398 HydrophobicContact CG-CD1 4.45Å; L393-F406 HydrophobicContact CD1-CE1 3.81Å; L393-F406 HydrophobicContact CD1-CZ 4Å; L393-L415 HydrophobicContact CD1-CD1 4.23Å; L393-N416 CarbonylContact C-O 3.53Å; L393-N416 WeakPolarHBondContact CA-O 3.39Å; L393-N416 WeakPolarHBondContact CB-O 3.37Å; L393-N416 PolarHBondContact N-O 2.92Å; L393-L417 HydrophobicContact CB-CD2 3.92Å; L393-L417 HydrophobicContact CD1-CD2 3.8Å; L393-N420 PolarHBondContact O-ND2 2.88Å
394	Q	98.6	Very high	93.7	Very high	28 Å²	28	42.7 Å²	42.7	13%	0.131	23%	0.228	C	C	.	.			trans	-63.6	146.8	-176.3	67.8	-80.3	5.8	0	0	112.8	S371 H372 N416 Q418	S371-Q394 CarbonylContact C-O 3.5Å; S371-Q394 VanDerWaalsContact CA-O 3.26Å; S371-Q394 WeakPolarHBondContact CA-O 3.49Å; S371-Q394 WeakPolarHBondContact CB-O 3.36Å; S371-Q394 PolarHBondContact OG-NE2 3.1Å; H372-Q394 PolarHBondContact N-O 2.98Å; Q394-N416 PolarHBondContact N-O 2.95Å; Q394-N416 PolarHBondContact OE1-ND2 2.86Å; Q394-Q418 CarbonylContact C-O 3.45Å; Q394-Q418 WeakPolarHBondContact CA-O 3.49Å; Q394-Q418 HydrophobicContact CB-CB 3.81Å; Q394-Q418 WeakPolarHBondContact CB-O 3.49Å
395	G	98.4	Very high	93.9	Very high	27 Å²	27	42.9 Å²	42.9	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	67.2	43.4	178.2	0	0	0	0	0	113.2	H372 Q418 G419	H372-G395 VanDerWaalsContact CA-O 3.27Å; H372-G395 WeakPolarHBondContact CA-O 3.43Å; G395-Q418 PolarHBondContact N-O 2.99Å; G395-G419 WeakPolarHBondContact CA-O 3.26Å
396	N	98.6	Very high	94	Very high	14 Å²	14	42.8 Å²	42.8	8%	0.075	23%	0.229	C	C	.	.	S	Bend	trans	-115.5	-173.9	174	-83.6	-71.5	0	0	0	110.1	L370 N373 L375 L393 L398 G419 N420	L370-N396 PolarHBondContact O-ND2 3.34Å; N373-N396 VanDerWaalsContact CA-OD1 3.3Å; N373-N396 WeakPolarHBondContact CA-OD1 3.1Å; N373-N396 WeakPolarHBondContact CB-OD1 3.24Å; N373-N396 PolarHBondContact N-OD1 3.26Å; N373-N396 PolarHBondContact O-OD1 3.42Å; L375-N396 HydrophobicContact CB-CB 4.08Å; L375-N396 VanDerWaalsContact CB-OD1 3.28Å; L375-N396 WeakPolarHBondContact CB-OD1 3.18Å; L375-N396 WeakPolarHBondContact CG-OD1 3.45Å; L375-N396 PolarHBondContact N-OD1 2.85Å; L393-N396 PolarHBondContact O-ND2 3.47Å; N396-L398 HydrophobicContact CB-CD1 4.46Å; N396-L398 HydrophobicContact CB-CG 4.11Å; N396-G419 PolarHBondContact N-O 3.35Å; N396-G419 VanDerWaalsContact O-O 3.08Å; N396-N420 WeakPolarHBondContact CA-OD1 3.49Å; N396-N420 WeakPolarHBondContact CB-OD1 3.28Å; N396-N420 PolarHBondContact O-OD1 3.25Å
397	A	97	Very high	94.1	Very high	41 Å²	41	43.2 Å²	43.2	34%	0.339	23%	0.229	S	C	.	.			trans	-110	26.7	179.1	0	0	0	0	0	112.4	L375 E376 R399	L375-A397 CarbonylContact O-C 3.47Å; L375-A397 VanDerWaalsContact O-CA 3.28Å; L375-A397 WeakPolarHBondContact O-CA 3.22Å; L375-A397 PolarHBondContact O-N 3.45Å; E376-A397 HydrophobicContact CG-CB 4.3Å; A397-R399 PolarHBondContact O-N 3.02Å
398	L	96.2	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.			trans	-67.9	128.8	-174.9	-59	171	0	0	0	110.2	L375 L378 L393 N396 L401 L417 N420 R421 V422	L375-L398 HydrophobicContact CB-CD2 3.86Å; L375-L398 HydrophobicContact CB-CG 4.41Å; L375-L398 WeakPolarHBondContact O-CD2 3.3Å; L375-L398 PolarHBondContact O-N 3.46Å; L375-L398 VanDerWaalsContact O-N 3.08Å; L378-L398 HydrophobicContact CB-CD2 4.27Å; L393-L398 HydrophobicContact CB-CD1 4.14Å; L393-L398 HydrophobicContact CD1-CD1 4.18Å; L393-L398 HydrophobicContact CD2-CD1 4.29Å; L393-L398 HydrophobicContact CG-CD1 4.45Å; N396-L398 HydrophobicContact CB-CD1 4.46Å; N396-L398 HydrophobicContact CB-CG 4.11Å; L398-L401 HydrophobicContact CB-CD1 4.47Å; L398-L401 HydrophobicContact CD1-CD1 4.42Å; L398-L401 HydrophobicContact CD2-CD2 4.27Å; L398-L417 HydrophobicContact CD1-CD2 4.14Å; L398-N420 HydrophobicContact CB-CB 4.3Å; L398-N420 VanDerWaalsContact CB-OD1 3.28Å; L398-N420 WeakPolarHBondContact CB-OD1 3.43Å; L398-N420 WeakPolarHBondContact CG-OD1 3.49Å; L398-N420 PolarHBondContact N-OD1 3.13Å; L398-N420 VanDerWaalsContact N-OD1 3.12Å; L398-R421 CarbonylContact O-C 3.02Å; L398-R421 WeakPolarHBondContact O-CA 3.43Å; L398-R421 PolarHBondContact O-N 2.9Å; L398-V422 HydrophobicContact CB-CG2 4.13Å
399	R	90.2	Very high	93.4	Very high	151 Å²	151	44.3 Å²	44.3	57%	0.57	23%	0.232	S	C	*	.			trans	-130	-72.1	179.3	-174.3	-173.7	-177.1	153.5	6	111.6	A397 R421	A397-R399 PolarHBondContact O-N 3.02Å; R399-R421 HydrophobicContact CB-CB 4.24Å; R399-R421 HydrophobicContact CG-CB 4.25Å
400	D	85.1	Confident	92.9	Very high	97 Å²	97	42.7 Å²	42.7	52%	0.519	24%	0.242	S	C	.	.			trans	-99	96.1	-175.2	-56.5	-44.6	0	0	0	109	S435	D400-S435 WeakPolarHBondContact OD1-CB 3.47Å
401	L	89.3	Confident	92.8	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	25%	0.247	C	C	.	.			trans	-105.7	150	174.6	-68.7	177.2	0	0	0	110.7	L378 L398 F406 V437	L378-L401 HydrophobicContact CB-CD2 3.86Å; L398-L401 HydrophobicContact CB-CD1 4.47Å; L398-L401 HydrophobicContact CD1-CD1 4.42Å; L398-L401 HydrophobicContact CD2-CD2 4.27Å; L401-F406 HydrophobicContact CD1-CE2 4.04Å; L401-F406 HydrophobicContact CD1-CZ 3.88Å; L401-V437 HydrophobicContact CB-CG2 3.79Å; L401-V437 HydrophobicContact CD1-CG2 4.49Å
402	P	88.8	Confident	92.7	Very high	75 Å²	75	43.2 Å²	43.2	49%	0.487	25%	0.247	S	C	.	.			trans	-52.4	137.4	169	-25.1	32.5	0	0	0	111.2	Y404 T405	P402-Y404 PolarHBondContact O-N 2.99Å; P402-T405 WeakPolarHBondContact CB-OG1 3.43Å; P402-T405 WeakPolarHBondContact CD-OG1 3.09Å; P402-T405 WeakPolarHBondContact O-CB 3.31Å; P402-T405 PolarHBondContact O-N 3.29Å; P402-T405 PolarHBondContact O-OG1 2.84Å
403	P	87.5	Confident	92.7	Very high	47 Å²	47	46 Å²	46	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35	-172.3	-29.3	33.6	0	0	0	114.1	A438	P403-A438 VanDerWaalsContact O-CB 3.26Å; P403-A438 WeakPolarHBondContact O-CB 3.34Å; P403-A438 PolarHBondContact O-N 2.95Å
404	Y	89.3	Confident	92.7	Very high	156 Å²	156	52 Å²	52	61%	0.612	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	18	-174.3	-52.4	-68	0	0	0	113.9	P402 F406 A407 N408 A438	P402-Y404 PolarHBondContact O-N 2.99Å; Y404-F406 VanDerWaalsContact C-N 3.28Å; Y404-F406 PolarHBondContact O-N 3.04Å; Y404-A407 HydrophobicContact CD1-CB 4.42Å; Y404-A407 PolarHBondContact O-N 3.12Å; Y404-N408 PolarHBondContact O-N 2.6Å; Y404-N408 PolarHBondContact O-ND2 2.74Å; Y404-A438 HydrophobicContact CD1-CB 4.41Å; Y404-A438 HydrophobicContact CE1-CB 4.42Å
405	T	90.3	Very high	92.7	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.037	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-47.1	-178.8	-60.6	0	0	0	0	112.2	L378 P402	L378-T405 HydrophobicContact CD2-CG2 4.25Å; P402-T405 WeakPolarHBondContact CB-OG1 3.43Å; P402-T405 WeakPolarHBondContact CD-OG1 3.09Å; P402-T405 WeakPolarHBondContact O-CB 3.31Å; P402-T405 PolarHBondContact O-N 3.29Å; P402-T405 PolarHBondContact O-OG1 2.84Å
406	F	93.2	Very high	92.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-23.5	-177.8	-53.5	-63.2	0	0	0	113.8	L378 L391 L393 L401 Y404 N408 L409 L412 L415 L417 V437 F439 I442	L378-F406 HydrophobicContact CD2-CE1 3.93Å; L378-F406 HydrophobicContact CD2-CZ 4.25Å; L391-F406 HydrophobicContact CD2-CD1 4Å; L391-F406 HydrophobicContact CD2-CE1 3.8Å; L393-F406 HydrophobicContact CD1-CE1 3.81Å; L393-F406 HydrophobicContact CD1-CZ 4Å; L401-F406 HydrophobicContact CD1-CE2 4.04Å; L401-F406 HydrophobicContact CD1-CZ 3.88Å; Y404-F406 VanDerWaalsContact C-N 3.28Å; Y404-F406 PolarHBondContact O-N 3.04Å; F406-N408 PolarHBondContact O-N 3.26Å; F406-L409 HydrophobicContact CD1-CD1 4.3Å; F406-L409 WeakPolarHBondContact O-CB 3.38Å; F406-L409 PolarHBondContact O-N 3Å; F406-L409 VanDerWaalsContact O-N 3.08Å; F406-L412 HydrophobicContact CB-CD2 4.34Å; F406-L415 HydrophobicContact CB-CD2 4.3Å; F406-L415 HydrophobicContact CD1-CD1 4.16Å; F406-L415 HydrophobicContact CD1-CD2 3.99Å; F406-L415 HydrophobicContact CD2-CD2 3.91Å; F406-L415 HydrophobicContact CE1-CD1 3.99Å; F406-L415 HydrophobicContact CE1-CD2 4.32Å; F406-L415 HydrophobicContact CE2-CD2 4.23Å; F406-L415 HydrophobicContact CG-CD2 3.78Å; F406-L415 HydrophobicContact CZ-CD1 4.44Å; F406-L415 HydrophobicContact CZ-CD2 4.43Å; F406-L417 HydrophobicContact CE2-CD1 4.05Å; F406-L417 HydrophobicContact CE2-CD2 4.49Å; F406-L417 HydrophobicContact CZ-CD1 4.33Å; F406-L417 HydrophobicContact CZ-CD2 4.02Å; F406-V437 HydrophobicContact CD2-CG1 3.73Å; F406-V437 HydrophobicContact CE2-CG1 3.8Å; F406-F439 AromaticContact CD2-CE1 3.99Å; F406-F439 HydrophobicContact CD2-CE1 3.99Å; F406-F439 HydrophobicContact CE2-CE1 4.32Å; F406-I442 HydrophobicContact CB-CD1 4.07Å
407	A	88.3	Confident	92.7	Very high	41 Å²	41	49.6 Å²	49.6	34%	0.339	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.2	177.3	0	0	0	0	0	112.8	Y404 L409 I442	Y404-A407 HydrophobicContact CD1-CB 4.42Å; Y404-A407 PolarHBondContact O-N 3.12Å; A407-L409 PolarHBondContact O-N 3.04Å; A407-I442 HydrophobicContact CB-CG1 4.36Å
408	N	85.6	Confident	92.8	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.374	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.8	175.3	-71.6	-25.2	0	0	0	114	Y404 F406 A410	Y404-N408 PolarHBondContact O-N 2.6Å; Y404-N408 PolarHBondContact O-ND2 2.74Å; F406-N408 PolarHBondContact O-N 3.26Å; N408-A410 PolarHBondContact O-N 2.78Å
409	L	92.1	Very high	92.8	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.276	C	S	.	.			trans	-93.1	90.5	-175.9	-58.9	172.9	0	0	0	110.6	L380 L385 L388 L391 F406 A407 S411 L412	L380-L409 HydrophobicContact CD1-CD1 3.86Å; L380-L409 HydrophobicContact CD1-CD2 4.28Å; L380-L409 HydrophobicContact CD1-CG 4.44Å; L385-L409 HydrophobicContact CB-CD2 3.89Å; L385-L409 HydrophobicContact CD1-CD2 4.44Å; L388-L409 HydrophobicContact CD2-CD1 4.15Å; L388-L409 HydrophobicContact CD2-CD2 4.33Å; L391-L409 HydrophobicContact CD2-CD1 4.06Å; F406-L409 HydrophobicContact CD1-CD1 4.3Å; F406-L409 WeakPolarHBondContact O-CB 3.38Å; F406-L409 PolarHBondContact O-N 3Å; F406-L409 VanDerWaalsContact O-N 3.08Å; A407-L409 PolarHBondContact O-N 3.04Å; L409-S411 PolarHBondContact O-N 3.46Å; L409-S411 VanDerWaalsContact O-N 3.11Å; L409-L412 HydrophobicContact CB-CB 3.85Å; L409-L412 HydrophobicContact CB-CD2 4.41Å; L409-L412 HydrophobicContact CD1-CD1 4.29Å; L409-L412 HydrophobicContact CD1-CD2 3.95Å; L409-L412 PolarHBondContact O-N 3.09Å
410	A	88.3	Confident	93.2	Very high	77 Å²	77	45.7 Å²	45.7	64%	0.636	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.6	-171	0	0	0	0	0	114.6	N408 S444	N408-A410 PolarHBondContact O-N 2.78Å; A410-S444 VanDerWaalsContact O-CB 3.26Å; A410-S444 WeakPolarHBondContact O-CB 3.17Å; A410-S444 PolarHBondContact O-OG 2.85Å
411	S	95.1	Very high	93.7	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	8.2	-172.7	-54.8	0	0	0	0	114.4	G386 L388 L409 Q413	G386-S411 WeakPolarHBondContact O-CB 3.42Å; G386-S411 PolarHBondContact O-OG 3.49Å; L388-S411 CarbonylContact O-C 3.43Å; L388-S411 VanDerWaalsContact O-O 3.13Å; L409-S411 PolarHBondContact O-N 3.46Å; L409-S411 VanDerWaalsContact O-N 3.11Å; S411-Q413 PolarHBondContact O-N 3.32Å
412	L	97.1	Very high	93.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.			trans	-66	124.1	-172.6	-172.2	69.1	0	0	0	111.2	L388 L391 F406 L409 L415 S444 L445	L388-L412 VanDerWaalsContact O-CA 3.31Å; L388-L412 WeakPolarHBondContact O-CA 3.46Å; L388-L412 PolarHBondContact O-N 3.21Å; L388-L412 VanDerWaalsContact O-N 3.15Å; L391-L412 HydrophobicContact CB-CD1 3.83Å; F406-L412 HydrophobicContact CB-CD2 4.34Å; L409-L412 HydrophobicContact CB-CB 3.85Å; L409-L412 HydrophobicContact CB-CD2 4.41Å; L409-L412 HydrophobicContact CD1-CD1 4.29Å; L409-L412 HydrophobicContact CD1-CD2 3.95Å; L409-L412 PolarHBondContact O-N 3.09Å; L412-L415 HydrophobicContact CD2-CB 4.27Å; L412-L415 HydrophobicContact CD2-CD2 4.33Å; L412-S444 CarbonylContact O-C 3.09Å; L412-S444 VanDerWaalsContact O-CB 3.28Å; L412-S444 WeakPolarHBondContact O-CB 3.44Å; L412-S444 VanDerWaalsContact O-O 3.06Å; L412-S444 PolarHBondContact O-OG 3.01Å; L412-L445 HydrophobicContact CD2-CD1 3.98Å; L412-L445 HydrophobicContact CG-CD1 3.91Å; L412-L445 VanDerWaalsContact O-CA 3.25Å; L412-L445 WeakPolarHBondContact O-CA 3.24Å; L412-L445 PolarHBondContact O-N 2.7Å; L412-L445 VanDerWaalsContact O-N 3.1Å
413	Q	98.3	Very high	94.1	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	24%	0.239	S	C	.	.			trans	-113.2	-36.8	-178.6	-68.5	-179.7	-7.3	0	0	112.3	R389 S411 R446 S447	R389-Q413 WeakPolarHBondContact O-CA 3.34Å; R389-Q413 PolarHBondContact O-N 3Å; S411-Q413 PolarHBondContact O-N 3.32Å; Q413-R446 WeakPolarHBondContact O-CA 3.17Å; Q413-R446 PolarHBondContact O-N 2.93Å; Q413-S447 PolarHBondContact O-N 2.86Å
414	R	98.8	Very high	94.4	Very high	124 Å²	124	43.3 Å²	43.3	47%	0.468	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.1	-178.8	-175.9	168.6	-171.2	172.7	2.6	110.9	R389 T390 L391 S447	R389-R414 PolarHBondContact O-N 3.32Å; T390-R414 WeakPolarHBondContact CA-O 3.37Å; T390-R414 HydrophobicContact CG2-CB 4.31Å; T390-R414 HydrophobicContact CG2-CG 4.47Å; L391-R414 PolarHBondContact N-O 3.26Å; R414-S447 WeakPolarHBondContact CA-O 3.4Å
415	L	98.8	Very high	94.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.8	176.5	-179.6	57.6	0	0	0	109.6	L391 L393 F406 L412 L417 F439 L445 S447 L448 S449	L391-L415 HydrophobicContact CB-CD1 4.04Å; L391-L415 HydrophobicContact CD2-CD1 4Å; L391-L415 HydrophobicContact CG-CD1 4.03Å; L391-L415 WeakPolarHBondContact O-CA 3.34Å; L393-L415 HydrophobicContact CD1-CD1 4.23Å; F406-L415 HydrophobicContact CB-CD2 4.3Å; F406-L415 HydrophobicContact CD1-CD1 4.16Å; F406-L415 HydrophobicContact CD1-CD2 3.99Å; F406-L415 HydrophobicContact CD2-CD2 3.91Å; F406-L415 HydrophobicContact CE1-CD1 3.99Å; F406-L415 HydrophobicContact CE1-CD2 4.32Å; F406-L415 HydrophobicContact CE2-CD2 4.23Å; F406-L415 HydrophobicContact CG-CD2 3.78Å; F406-L415 HydrophobicContact CZ-CD1 4.44Å; F406-L415 HydrophobicContact CZ-CD2 4.43Å; L412-L415 HydrophobicContact CD2-CB 4.27Å; L412-L415 HydrophobicContact CD2-CD2 4.33Å; L415-L417 HydrophobicContact CD1-CG 4.19Å; L415-L417 HydrophobicContact CD2-CD1 3.93Å; L415-L417 HydrophobicContact CD2-CG 4.43Å; L415-L417 HydrophobicContact CG-CD1 4.11Å; L415-L417 HydrophobicContact CG-CG 4.08Å; L415-F439 HydrophobicContact CD2-CD1 4.42Å; L415-F439 HydrophobicContact CD2-CE1 3.87Å; L415-L445 HydrophobicContact CB-CD1 3.89Å; L415-S447 PolarHBondContact N-O 3.01Å; L415-L448 HydrophobicContact CB-CD1 4.06Å; L415-L448 HydrophobicContact CD2-CD1 3.97Å; L415-L448 HydrophobicContact CG-CD1 4.03Å; L415-L448 WeakPolarHBondContact O-CA 3.21Å; L415-S449 PolarHBondContact O-N 3.08Å
416	N	98.8	Very high	94.4	Very high	19 Å²	19	36.5 Å²	36.5	10%	0.102	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.4	174.7	-170.2	0.1	0	0	0	110.4	L391 L392 L393 Q394 Q418 S449	L391-N416 PolarHBondContact O-N 3.04Å; L392-N416 HydrophobicContact CD2-CB 3.9Å; L393-N416 CarbonylContact C-O 3.53Å; L393-N416 WeakPolarHBondContact CA-O 3.39Å; L393-N416 WeakPolarHBondContact CB-O 3.37Å; L393-N416 PolarHBondContact N-O 2.92Å; Q394-N416 PolarHBondContact N-O 2.95Å; Q394-N416 PolarHBondContact OE1-ND2 2.86Å; N416-Q418 VanDerWaalsContact OD1-CB 3.29Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.34Å; N416-Q418 PolarHBondContact OD1-N 3.48Å; N416-S449 WeakPolarHBondContact OD1-CB 3.16Å; N416-S449 PolarHBondContact OD1-OG 3.35Å
417	L	98.5	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.			trans	-114.2	16.8	177.6	-70.6	166.2	0	0	0	111.9	L393 L398 F406 L415 G419 N420 V422 F439 S449 L450 N453	L393-L417 HydrophobicContact CB-CD2 3.92Å; L393-L417 HydrophobicContact CD1-CD2 3.8Å; L398-L417 HydrophobicContact CD1-CD2 4.14Å; F406-L417 HydrophobicContact CE2-CD1 4.05Å; F406-L417 HydrophobicContact CE2-CD2 4.49Å; F406-L417 HydrophobicContact CZ-CD1 4.33Å; F406-L417 HydrophobicContact CZ-CD2 4.02Å; L415-L417 HydrophobicContact CD1-CG 4.19Å; L415-L417 HydrophobicContact CD2-CD1 3.93Å; L415-L417 HydrophobicContact CD2-CG 4.43Å; L415-L417 HydrophobicContact CG-CD1 4.11Å; L415-L417 HydrophobicContact CG-CG 4.08Å; L417-G419 PolarHBondContact O-N 2.97Å; L417-N420 WeakPolarHBondContact O-CB 3.31Å; L417-N420 PolarHBondContact O-ND2 2.93Å; L417-V422 HydrophobicContact CD1-CG1 4.45Å; L417-F439 HydrophobicContact CD1-CE1 3.76Å; L417-F439 HydrophobicContact CD1-CZ 3.61Å; L417-S449 WeakPolarHBondContact CA-O 3.3Å; L417-S449 WeakPolarHBondContact CB-O 3.17Å; L417-S449 PolarHBondContact N-O 2.85Å; L417-L450 HydrophobicContact CB-CD2 4.12Å; L417-L450 HydrophobicContact CD1-CD2 3.9Å; L417-N453 PolarHBondContact O-ND2 3.09Å; L417-N453 PolarHBondContact O-OD1 3.29Å
418	Q	98.6	Very high	92.6	Very high	85 Å²	85	40 Å²	40	40%	0.397	22%	0.222	S	C	.	.			trans	-52.3	140.3	-177.8	168.4	-178.9	-17.8	0	0	112.7	Q394 G395 N416 N420 V451	Q394-Q418 CarbonylContact C-O 3.45Å; Q394-Q418 WeakPolarHBondContact CA-O 3.49Å; Q394-Q418 HydrophobicContact CB-CB 3.81Å; Q394-Q418 WeakPolarHBondContact CB-O 3.49Å; G395-Q418 PolarHBondContact N-O 2.99Å; N416-Q418 VanDerWaalsContact OD1-CB 3.29Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.34Å; N416-Q418 PolarHBondContact OD1-N 3.48Å; Q418-N420 PolarHBondContact O-ND2 2.87Å; Q418-V451 CarbonylContact C-O 3.46Å; Q418-V451 WeakPolarHBondContact CA-O 3.18Å; Q418-V451 HydrophobicContact CB-CB 4.05Å; Q418-V451 HydrophobicContact CG-CB 3.83Å; Q418-V451 HydrophobicContact CG-CG1 3.98Å
419	G	97.9	Very high	91.9	Very high	19 Å²	19	44.2 Å²	44.2	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	65.2	43.4	174.3	0	0	0	0	0	112.2	G395 N396 L417 V451 D452	G395-G419 WeakPolarHBondContact CA-O 3.26Å; N396-G419 PolarHBondContact N-O 3.35Å; N396-G419 VanDerWaalsContact O-O 3.08Å; L417-G419 PolarHBondContact O-N 2.97Å; G419-V451 PolarHBondContact N-O 3.3Å; G419-D452 CarbonylContact C-O 3.46Å; G419-D452 WeakPolarHBondContact CA-O 3.39Å; G419-D452 PolarHBondContact N-O 3.03Å; G419-D452 VanDerWaalsContact N-O 3.17Å
420	N	97.8	Very high	90.8	Very high	5 Å²	5	49 Å²	49	3%	0.027	27%	0.267	C	S	.	.	S	Bend	trans	-122.1	-159.1	171.5	-78	-84.4	0	0	0	108.3	L393 N396 L398 L417 Q418 V422 D452 N453	L393-N420 PolarHBondContact O-ND2 2.88Å; N396-N420 WeakPolarHBondContact CA-OD1 3.49Å; N396-N420 WeakPolarHBondContact CB-OD1 3.28Å; N396-N420 PolarHBondContact O-OD1 3.25Å; L398-N420 HydrophobicContact CB-CB 4.3Å; L398-N420 VanDerWaalsContact CB-OD1 3.28Å; L398-N420 WeakPolarHBondContact CB-OD1 3.43Å; L398-N420 WeakPolarHBondContact CG-OD1 3.49Å; L398-N420 PolarHBondContact N-OD1 3.13Å; L398-N420 VanDerWaalsContact N-OD1 3.12Å; L417-N420 WeakPolarHBondContact O-CB 3.31Å; L417-N420 PolarHBondContact O-ND2 2.93Å; Q418-N420 PolarHBondContact O-ND2 2.87Å; N420-V422 HydrophobicContact CB-CG2 4.18Å; N420-D452 PolarHBondContact N-O 3.38Å; N420-N453 WeakPolarHBondContact CB-OD1 3.44Å; N420-N453 WeakPolarHBondContact O-CA 3.46Å
421	R	95	Very high	89.8	Confident	128 Å²	128	51 Å²	51	48%	0.483	27%	0.273	S	S	.	.			trans	-133.7	40.8	175.8	-61.2	-178.9	-179.7	150.7	3.3	110.9	L398 R399 E454	L398-R421 CarbonylContact O-C 3.02Å; L398-R421 WeakPolarHBondContact O-CA 3.43Å; L398-R421 PolarHBondContact O-N 2.9Å; R399-R421 HydrophobicContact CB-CB 4.24Å; R399-R421 HydrophobicContact CG-CB 4.25Å; R421-E454 IonicContact NE-OE1 3.93Å
422	V	94	Very high	88.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.			trans	-87.9	128.5	-174.5	176.1	0	0	0	0	110.6	L398 L417 N420 V437 F439 N453	L398-V422 HydrophobicContact CB-CG2 4.13Å; L417-V422 HydrophobicContact CD1-CG1 4.45Å; N420-V422 HydrophobicContact CB-CG2 4.18Å; V422-V437 HydrophobicContact CG1-CB 3.81Å; V422-V437 HydrophobicContact CG1-CG1 4.46Å; V422-V437 HydrophobicContact CG1-CG2 3.6Å; V422-F439 HydrophobicContact CG1-CE2 4.21Å; V422-F439 HydrophobicContact CG1-CZ 3.99Å; V422-N453 WeakPolarHBondContact CB-OD1 3.47Å; V422-N453 PolarHBondContact N-OD1 2.88Å
423	S	92.1	Very high	87.3	Confident	46 Å²	46	53 Å²	53	32%	0.322	29%	0.289	S	S	.	.			trans	-107.3	122.2	176.5	-70.8	0	0	0	0	111.9	C436 V437	S423-C436 WeakPolarHBondContact O-CA 3.44Å; S423-V437 PolarHBondContact O-N 3.38Å
424	P	93.9	Very high	85.8	Confident	1 Å²	1	54 Å²	54	1%	0.006	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-61.9	140.8	173.7	-25.4	35.7	0	0	0	113.6	V437 F439 L450 I455 L458 R459 A462	P424-V437 CarbonylContact C-O 3.59Å; P424-V437 WeakPolarHBondContact CA-O 3.47Å; P424-F439 HydrophobicContact CB-CD2 3.94Å; P424-F439 HydrophobicContact CB-CE2 4.18Å; P424-F439 HydrophobicContact CG-CD2 4.14Å; P424-F439 HydrophobicContact CG-CE2 4.02Å; P424-L450 HydrophobicContact CG-CD1 3.82Å; P424-I455 HydrophobicContact CG-CD1 4.28Å; P424-L458 HydrophobicContact CB-CD1 4.13Å; P424-L458 HydrophobicContact CG-CD1 3.99Å; P424-R459 PolarHBondContact O-NH1 2.83Å; P424-A462 HydrophobicContact CB-CB 4.24Å
425	C	92.3	Very high	84.9	Confident	13 Å²	13	50.3 Å²	50.3	9%	0.088	31%	0.305	C	S	.	.			trans	-70.6	161	166.1	-61.7	0	0	0	0	111.7	C436 V437 A438 A462	C425-C436 WeakPolarHBondContact CA-SG 3.42Å; C425-C436 HydrophobicContact CB-CB 3.92Å; C425-C436 WeakPolarHBondContact CB-SG 3.36Å; C425-C436 WeakPolarHBondContact SG-CB 3.33Å; C425-C436 PolarHBondContact SG-O 3.43Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.28Å; C425-V437 PolarHBondContact N-O 2.8Å; C425-V437 PolarHBondContact SG-N 2.73Å; C425-A438 HydrophobicContact CB-CB 4.45Å; C425-A462 WeakPolarHBondContact O-CA 3.01Å; C425-A462 WeakPolarHBondContact O-CB 3.26Å
426	G	87.6	Confident	84.5	Confident	5 Å²	5	50.6 Å²	50.6	5%	0.052	31%	0.307	C	S	.	.			trans	-77.7	177.9	163	0	0	0	0	0	112.1	E430	G426-E430 WeakPolarHBondContact CA-O 3.36Å
427	G	75.1	Confident	84.2	Confident	10 Å²	10	49.7 Å²	49.7	10%	0.103	30%	0.303	C	S	.	.			trans	-67.6	-179.3	172.8	0	0	0	0	0	113	N429 E430 A460	G427-N429 PolarHBondContact O-N 3.46Å; G427-E430 CarbonylContact O-C 3.44Å; G427-E430 PolarHBondContact O-N 3.38Å; G427-A460 PolarHBondContact N-O 3.35Å
428	P	69.9	Low	83.9	Confident	106 Å²	106	50.1 Å²	50.1	69%	0.688	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.3	-175.8	-24.5	32.8	0	0	0	115.2
429	N	69.9	Low	83.7	Confident	158 Å²	158	46.1 Å²	46.1	85%	0.845	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.4	-177.3	-60.7	-27.7	0	0	0	113.6	G427	G427-N429 PolarHBondContact O-N 3.46Å
430	E	69.4	Low	83.4	Confident	103 Å²	103	46.7 Å²	46.7	48%	0.481	29%	0.288	S	S	.	.	S	Bend	trans	-133.1	77.5	176.3	-72.4	-165.4	166.1	0	0	109.8	G426 G427 G432	G426-E430 WeakPolarHBondContact CA-O 3.36Å; G427-E430 CarbonylContact O-C 3.44Å; G427-E430 PolarHBondContact O-N 3.38Å; E430-G432 PolarHBondContact O-N 3.17Å; E430-G432 VanDerWaalsContact O-N 3.14Å
431	P	67.1	Low	83.1	Confident	118 Å²	118	48.8 Å²	48.8	77%	0.766	31%	0.311	S	S	*	.			trans	-59.6	122.7	175.6	24.5	-31.6	0	0	0	109.1
432	G	67.4	Low	83	Confident	22 Å²	22	43 Å²	43	23%	0.227	29%	0.289	C	S	.	.			trans	-68.6	177.2	178	0	0	0	0	0	112.5	E430	E430-G432 PolarHBondContact O-N 3.17Å; E430-G432 VanDerWaalsContact O-N 3.14Å
433	P	73	Confident	83.1	Confident	66 Å²	66	46 Å²	46	43%	0.429	32%	0.315	S	S	.	.			trans	-54.3	158	169.8	-18	29.2	0	0	0	111.1	S435 C436	P433-S435 PolarHBondContact O-N 2.99Å; P433-C436 PolarHBondContact O-N 2.82Å; P433-C436 PolarHBondContact O-SG 3.33Å; P433-C436 VanDerWaalsContact O-SG 3.32Å
434	A	65.1	Low	83.3	Confident	105 Å²	105	45 Å²	45	87%	0.868	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-17	-178.6	0	0	0	0	0	114.8
435	S	80.3	Confident	83.5	Confident	47 Å²	47	45 Å²	45	33%	0.329	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	179.1	50	0	0	0	0	115.5	D400 P433	D400-S435 WeakPolarHBondContact OD1-CB 3.47Å; P433-S435 PolarHBondContact O-N 2.99Å
436	C	89.9	Confident	83.8	Confident	7 Å²	7	49 Å²	49	5%	0.047	32%	0.321	C	S	.	.			trans	-78.3	152.3	-178	76.1	0	0	0	0	112.7	S423 C425 P433	S423-C436 WeakPolarHBondContact O-CA 3.44Å; C425-C436 WeakPolarHBondContact CA-SG 3.42Å; C425-C436 HydrophobicContact CB-CB 3.92Å; C425-C436 WeakPolarHBondContact CB-SG 3.36Å; C425-C436 WeakPolarHBondContact SG-CB 3.33Å; C425-C436 PolarHBondContact SG-O 3.43Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.28Å; P433-C436 PolarHBondContact O-N 2.82Å; P433-C436 PolarHBondContact O-SG 3.33Å; P433-C436 VanDerWaalsContact O-SG 3.32Å
437	V	92.6	Very high	84.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-105.3	126.8	176.1	-179	0	0	0	0	110.4	L401 F406 V422 S423 P424 C425 F439	L401-V437 HydrophobicContact CB-CG2 3.79Å; L401-V437 HydrophobicContact CD1-CG2 4.49Å; F406-V437 HydrophobicContact CD2-CG1 3.73Å; F406-V437 HydrophobicContact CE2-CG1 3.8Å; V422-V437 HydrophobicContact CG1-CB 3.81Å; V422-V437 HydrophobicContact CG1-CG1 4.46Å; V422-V437 HydrophobicContact CG1-CG2 3.6Å; S423-V437 PolarHBondContact O-N 3.38Å; P424-V437 CarbonylContact C-O 3.59Å; P424-V437 WeakPolarHBondContact CA-O 3.47Å; C425-V437 PolarHBondContact N-O 2.8Å; C425-V437 PolarHBondContact SG-N 2.73Å; V437-F439 HydrophobicContact CB-CE2 3.98Å; V437-F439 HydrophobicContact CB-CZ 4.1Å; V437-F439 HydrophobicContact CG1-CE1 4.06Å; V437-F439 HydrophobicContact CG1-CE2 3.93Å; V437-F439 HydrophobicContact CG1-CZ 3.65Å; V437-F439 WeakPolarHBondContact O-CD2 3.37Å; V437-F439 PolarHBondContact O-N 2.8Å
438	A	92.6	Very high	85.5	Confident	8 Å²	8	49 Å²	49	7%	0.066	32%	0.319	C	S	.	.			trans	-83.4	117.7	180	0	0	0	0	0	110.3	P403 Y404 C425	P403-A438 VanDerWaalsContact O-CB 3.26Å; P403-A438 WeakPolarHBondContact O-CB 3.34Å; P403-A438 PolarHBondContact O-N 2.95Å; Y404-A438 HydrophobicContact CD1-CB 4.41Å; Y404-A438 HydrophobicContact CE1-CB 4.42Å; C425-A438 HydrophobicContact CB-CB 4.45Å
439	F	94.7	Very high	86.9	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	29%	0.291	C	S	.	.			trans	-102.5	2.3	170.2	-60.8	-75.7	0	0	0	112.4	F406 L415 L417 V422 P424 V437 I442 L448 L450 A462 F463 T466	F406-F439 AromaticContact CD2-CE1 3.99Å; F406-F439 HydrophobicContact CD2-CE1 3.99Å; F406-F439 HydrophobicContact CE2-CE1 4.32Å; L415-F439 HydrophobicContact CD2-CD1 4.42Å; L415-F439 HydrophobicContact CD2-CE1 3.87Å; L417-F439 HydrophobicContact CD1-CE1 3.76Å; L417-F439 HydrophobicContact CD1-CZ 3.61Å; V422-F439 HydrophobicContact CG1-CE2 4.21Å; V422-F439 HydrophobicContact CG1-CZ 3.99Å; P424-F439 HydrophobicContact CB-CD2 3.94Å; P424-F439 HydrophobicContact CB-CE2 4.18Å; P424-F439 HydrophobicContact CG-CD2 4.14Å; P424-F439 HydrophobicContact CG-CE2 4.02Å; V437-F439 HydrophobicContact CB-CE2 3.98Å; V437-F439 HydrophobicContact CB-CZ 4.1Å; V437-F439 HydrophobicContact CG1-CE1 4.06Å; V437-F439 HydrophobicContact CG1-CE2 3.93Å; V437-F439 HydrophobicContact CG1-CZ 3.65Å; V437-F439 WeakPolarHBondContact O-CD2 3.37Å; V437-F439 PolarHBondContact O-N 2.8Å; F439-I442 HydrophobicContact CD1-CD1 4.42Å; F439-L448 HydrophobicContact CB-CD2 4.42Å; F439-L448 HydrophobicContact CD1-CD1 4.29Å; F439-L448 HydrophobicContact CD1-CD2 3.99Å; F439-L448 HydrophobicContact CE1-CD1 4.12Å; F439-L448 HydrophobicContact CE1-CD2 4.47Å; F439-L448 HydrophobicContact CG-CD2 4.14Å; F439-L450 HydrophobicContact CE2-CD1 4.37Å; F439-L450 HydrophobicContact CE2-CD2 4.15Å; F439-L450 HydrophobicContact CZ-CD2 3.91Å; F439-A462 CarbonylContact C-O 3.38Å; F439-F463 HydrophobicContact CB-CD1 3.88Å; F439-F463 HydrophobicContact CB-CE1 4.09Å; F439-F463 HydrophobicContact CG-CE1 4.48Å; F439-T466 WeakPolarHBondContact O-CB 3.42Å; F439-T466 PolarHBondContact O-OG1 2.99Å
440	S	92.6	Very high	88.2	Confident	32 Å²	32	37.2 Å²	37.2	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	146	173.8	54.8	0	0	0	0	111.2	I442 A462 L464	S440-I442 VanDerWaalsContact C-N 3.34Å; S440-I442 PolarHBondContact O-N 2.92Å; S440-A462 PolarHBondContact N-O 3.34Å; S440-L464 CarbonylContact C-O 3.52Å; S440-L464 VanDerWaalsContact CA-O 3.23Å; S440-L464 WeakPolarHBondContact CA-O 3.23Å; S440-L464 VanDerWaalsContact CB-O 3.27Å; S440-L464 WeakPolarHBondContact CB-O 3.29Å
441	G	90.2	Very high	89.6	Confident	49 Å²	49	32.8 Å²	32.8	51%	0.505	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.6	178.3	0	0	0	0	0	116	A443 L464 T466	G441-A443 PolarHBondContact O-N 2.89Å; G441-L464 PolarHBondContact N-O 2.76Å; G441-T466 PolarHBondContact N-OG1 3.17Å
442	I	94.3	Very high	91.1	Very high	5 Å²	5	31 Å²	31	3%	0.026	22%	0.215	C	C	.	.			trans	-89.7	74.3	177.5	-44	176.2	0	0	0	109.2	F406 A407 F439 S440 S444 L445 T466	F406-I442 HydrophobicContact CB-CD1 4.07Å; A407-I442 HydrophobicContact CB-CG1 4.36Å; F439-I442 HydrophobicContact CD1-CD1 4.42Å; S440-I442 VanDerWaalsContact C-N 3.34Å; S440-I442 PolarHBondContact O-N 2.92Å; I442-S444 PolarHBondContact O-N 2.96Å; I442-L445 HydrophobicContact CB-CB 4.16Å; I442-L445 HydrophobicContact CD1-CD2 4.39Å; I442-L445 HydrophobicContact CG2-CB 3.81Å; I442-L445 PolarHBondContact O-N 3.49Å; I442-T466 HydrophobicContact CB-CG2 4.2Å; I442-T466 PolarHBondContact N-OG1 3.41Å; I442-T466 VanDerWaalsContact N-OG1 3.09Å; I442-T466 WeakPolarHBondContact O-CG2 3.39Å
443	A	95.2	Very high	92.5	Very high	65 Å²	65	30 Å²	30	54%	0.537	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	-169.5	0	0	0	0	0	115.3	G441 R446	G441-A443 PolarHBondContact O-N 2.89Å; A443-R446 PolarHBondContact O-NH1 2.92Å
444	S	96.7	Very high	93.6	Very high	25 Å²	25	32.7 Å²	32.7	18%	0.175	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.6	179.2	43.8	0	0	0	0	114.2	A410 L412 I442 R446	A410-S444 VanDerWaalsContact O-CB 3.26Å; A410-S444 WeakPolarHBondContact O-CB 3.17Å; A410-S444 PolarHBondContact O-OG 2.85Å; L412-S444 CarbonylContact O-C 3.09Å; L412-S444 VanDerWaalsContact O-CB 3.28Å; L412-S444 WeakPolarHBondContact O-CB 3.44Å; L412-S444 VanDerWaalsContact O-O 3.06Å; L412-S444 PolarHBondContact O-OG 3.01Å; I442-S444 PolarHBondContact O-N 2.96Å; S444-R446 VanDerWaalsContact C-NH1 3.27Å; S444-R446 PolarHBondContact O-NH1 2.85Å; S444-R446 VanDerWaalsContact O-NH1 3.17Å
445	L	98.2	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.			trans	-70.3	139.3	-172.9	-164.1	65.3	0	0	0	111	L412 L415 I442 L448 T466 L468	L412-L445 HydrophobicContact CD2-CD1 3.98Å; L412-L445 HydrophobicContact CG-CD1 3.91Å; L412-L445 VanDerWaalsContact O-CA 3.25Å; L412-L445 WeakPolarHBondContact O-CA 3.24Å; L412-L445 PolarHBondContact O-N 2.7Å; L412-L445 VanDerWaalsContact O-N 3.1Å; L415-L445 HydrophobicContact CB-CD1 3.89Å; I442-L445 HydrophobicContact CB-CB 4.16Å; I442-L445 HydrophobicContact CD1-CD2 4.39Å; I442-L445 HydrophobicContact CG2-CB 3.81Å; I442-L445 PolarHBondContact O-N 3.49Å; L445-L448 HydrophobicContact CD2-CB 4.33Å; L445-L448 HydrophobicContact CD2-CD2 4.49Å; L445-T466 HydrophobicContact CB-CG2 3.9Å; L445-T466 HydrophobicContact CD2-CG2 4.13Å; L445-L468 HydrophobicContact CB-CD2 4.09Å; L445-L468 HydrophobicContact CD2-CD2 3.82Å; L445-L468 HydrophobicContact CG-CD2 3.66Å
446	R	98.4	Very high	95.6	Very high	97 Å²	97	33 Å²	33	37%	0.366	19%	0.19	S	C	.	.			trans	-127.3	-42.5	-176.9	-62.2	-64.2	176.6	-94	1.3	112.3	Q413 A443 S444 L468 T469 E470	Q413-R446 WeakPolarHBondContact O-CA 3.17Å; Q413-R446 PolarHBondContact O-N 2.93Å; A443-R446 PolarHBondContact O-NH1 2.92Å; S444-R446 VanDerWaalsContact C-NH1 3.27Å; S444-R446 PolarHBondContact O-NH1 2.85Å; S444-R446 VanDerWaalsContact O-NH1 3.17Å; R446-L468 CarbonylContact O-C 3.11Å; R446-L468 WeakPolarHBondContact O-CA 3.4Å; R446-T469 PolarHBondContact O-N 3.48Å; R446-T469 PolarHBondContact O-OG1 3Å; R446-E470 PolarHBondContact O-N 3.01Å
447	S	98.8	Very high	95.8	Very high	15 Å²	15	35.9 Å²	35.9	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124	-179.8	177.2	0	0	0	0	109.8	Q413 R414 L415 E470	Q413-S447 PolarHBondContact O-N 2.86Å; R414-S447 WeakPolarHBondContact CA-O 3.4Å; L415-S447 PolarHBondContact N-O 3.01Å; S447-E470 WeakPolarHBondContact CA-O 3.15Å; S447-E470 WeakPolarHBondContact CB-OE2 3.24Å; S447-E470 PolarHBondContact OG-OE2 2.96Å
448	L	98.8	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.4	178.7	177.5	60.5	0	0	0	110	L415 F439 L445 L450 F463 L468 E470 L471 D472	L415-L448 HydrophobicContact CB-CD1 4.06Å; L415-L448 HydrophobicContact CD2-CD1 3.97Å; L415-L448 HydrophobicContact CG-CD1 4.03Å; L415-L448 WeakPolarHBondContact O-CA 3.21Å; F439-L448 HydrophobicContact CB-CD2 4.42Å; F439-L448 HydrophobicContact CD1-CD1 4.29Å; F439-L448 HydrophobicContact CD1-CD2 3.99Å; F439-L448 HydrophobicContact CE1-CD1 4.12Å; F439-L448 HydrophobicContact CE1-CD2 4.47Å; F439-L448 HydrophobicContact CG-CD2 4.14Å; L445-L448 HydrophobicContact CD2-CB 4.33Å; L445-L448 HydrophobicContact CD2-CD2 4.49Å; L448-L450 HydrophobicContact CD1-CD2 4.43Å; L448-L450 HydrophobicContact CD1-CG 4.23Å; L448-L450 HydrophobicContact CD2-CD1 3.99Å; L448-L450 HydrophobicContact CD2-CG 4.28Å; L448-L450 HydrophobicContact CG-CD1 4.32Å; L448-L450 HydrophobicContact CG-CG 4.09Å; L448-F463 HydrophobicContact CD2-CD1 4.13Å; L448-F463 HydrophobicContact CD2-CE1 3.65Å; L448-L468 HydrophobicContact CB-CD1 4.05Å; L448-L468 HydrophobicContact CB-CD2 3.98Å; L448-L468 HydrophobicContact CD2-CD1 4.12Å; L448-E470 PolarHBondContact N-O 2.98Å; L448-L471 HydrophobicContact CB-CD1 4.26Å; L448-L471 HydrophobicContact CD2-CD1 4.13Å; L448-L471 HydrophobicContact CG-CD1 4.22Å; L448-L471 WeakPolarHBondContact O-CA 3.32Å; L448-D472 PolarHBondContact O-N 3.42Å
449	S	98.7	Very high	96	Very high	15 Å²	15	38 Å²	38	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	169.5	174.9	0	0	0	0	110.5	L415 N416 L417 V451	L415-S449 PolarHBondContact O-N 3.08Å; N416-S449 WeakPolarHBondContact OD1-CB 3.16Å; N416-S449 PolarHBondContact OD1-OG 3.35Å; L417-S449 WeakPolarHBondContact CA-O 3.3Å; L417-S449 WeakPolarHBondContact CB-O 3.17Å; L417-S449 PolarHBondContact N-O 2.85Å; S449-V451 WeakPolarHBondContact OG-CG2 3.44Å
450	L	98.4	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.			trans	-121.8	29.3	174.1	-69.1	172.2	0	0	0	110.1	L417 P424 F439 L448 N453 I455 F463 D472 L473 N476	L417-L450 HydrophobicContact CB-CD2 4.12Å; L417-L450 HydrophobicContact CD1-CD2 3.9Å; P424-L450 HydrophobicContact CG-CD1 3.82Å; F439-L450 HydrophobicContact CE2-CD1 4.37Å; F439-L450 HydrophobicContact CE2-CD2 4.15Å; F439-L450 HydrophobicContact CZ-CD2 3.91Å; L448-L450 HydrophobicContact CD1-CD2 4.43Å; L448-L450 HydrophobicContact CD1-CG 4.23Å; L448-L450 HydrophobicContact CD2-CD1 3.99Å; L448-L450 HydrophobicContact CD2-CG 4.28Å; L448-L450 HydrophobicContact CG-CD1 4.32Å; L448-L450 HydrophobicContact CG-CG 4.09Å; L450-N453 VanDerWaalsContact C-ND2 3.31Å; L450-N453 PolarHBondContact O-ND2 3.3Å; L450-I455 HydrophobicContact CB-CD1 3.99Å; L450-I455 HydrophobicContact CD1-CD1 4.38Å; L450-F463 HydrophobicContact CD1-CE1 4.23Å; L450-F463 HydrophobicContact CD1-CZ 4.22Å; L450-D472 PolarHBondContact N-O 2.95Å; L450-L473 HydrophobicContact CB-CD2 3.91Å; L450-L473 HydrophobicContact CD1-CD2 3.93Å; L450-N476 PolarHBondContact O-ND2 2.87Å
451	V	98.7	Very high	95.9	Very high	11 Å²	11	38.3 Å²	38.3	7%	0.067	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	141.2	179.6	175.4	0	0	0	0	110	Q418 G419 S449 N453 D472 S474	Q418-V451 CarbonylContact C-O 3.46Å; Q418-V451 WeakPolarHBondContact CA-O 3.18Å; Q418-V451 HydrophobicContact CB-CB 4.05Å; Q418-V451 HydrophobicContact CG-CB 3.83Å; Q418-V451 HydrophobicContact CG-CG1 3.98Å; G419-V451 PolarHBondContact N-O 3.3Å; S449-V451 WeakPolarHBondContact OG-CG2 3.44Å; V451-N453 VanDerWaalsContact C-N 3.35Å; V451-N453 PolarHBondContact O-N 3.2Å; V451-N453 PolarHBondContact O-ND2 3.18Å; V451-D472 HydrophobicContact CG2-CB 3.8Å; V451-D472 WeakPolarHBondContact CG2-OD1 3.39Å; V451-D472 WeakPolarHBondContact CG2-OD2 3.23Å; V451-S474 CarbonylContact C-O 3.4Å; V451-S474 WeakPolarHBondContact CA-O 3.1Å; V451-S474 WeakPolarHBondContact CG1-O 3.44Å
452	D	98	Very high	96.1	Very high	80 Å²	80	36 Å²	36	43%	0.428	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	50.6	172.2	-165.8	34.4	0	0	0	112.4	G419 N420 S474 S475	G419-D452 CarbonylContact C-O 3.46Å; G419-D452 WeakPolarHBondContact CA-O 3.39Å; G419-D452 PolarHBondContact N-O 3.03Å; G419-D452 VanDerWaalsContact N-O 3.17Å; N420-D452 PolarHBondContact N-O 3.38Å; D452-S474 PolarHBondContact N-O 3.34Å; D452-S475 VanDerWaalsContact CA-O 3.22Å; D452-S475 WeakPolarHBondContact CA-O 3.33Å; D452-S475 PolarHBondContact N-O 3.19Å
453	N	97.1	Very high	96.1	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	19%	0.191	C	C	.	.	S	Bend	trans	-110.9	8.3	178.7	-89.9	-94.1	0	0	0	113.4	L417 N420 V422 L450 V451 I455 N476	L417-N453 PolarHBondContact O-ND2 3.09Å; L417-N453 PolarHBondContact O-OD1 3.29Å; N420-N453 WeakPolarHBondContact CB-OD1 3.44Å; N420-N453 WeakPolarHBondContact O-CA 3.46Å; V422-N453 WeakPolarHBondContact CB-OD1 3.47Å; V422-N453 PolarHBondContact N-OD1 2.88Å; L450-N453 VanDerWaalsContact C-ND2 3.31Å; L450-N453 PolarHBondContact O-ND2 3.3Å; V451-N453 VanDerWaalsContact C-N 3.35Å; V451-N453 PolarHBondContact O-N 3.2Å; V451-N453 PolarHBondContact O-ND2 3.18Å; N453-I455 HydrophobicContact CB-CD1 3.89Å; N453-I455 HydrophobicContact CB-CG1 3.69Å; N453-I455 PolarHBondContact O-N 2.97Å; N453-N476 PolarHBondContact N-OD1 2.82Å
454	E	95.5	Very high	96.1	Very high	122 Å²	122	34.8 Å²	34.8	57%	0.57	18%	0.176	S	C	*	.			trans	53.8	35.9	-176.2	-57.9	173.9	-168.1	0	0	112.1	R421 E456 N476	R421-E454 IonicContact NE-OE1 3.93Å; E454-E456 PolarHBondContact O-N 3.38Å; E454-N476 PolarHBondContact N-OD1 3.36Å; E454-N476 VanDerWaalsContact N-OD1 3.12Å
455	I	95.1	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.199	C	C	.	.			trans	-74	112.2	-177.2	-56.9	171.8	0	0	0	109.5	P424 L450 N453 L473 N476 L479	P424-I455 HydrophobicContact CG-CD1 4.28Å; L450-I455 HydrophobicContact CB-CD1 3.99Å; L450-I455 HydrophobicContact CD1-CD1 4.38Å; N453-I455 HydrophobicContact CB-CD1 3.89Å; N453-I455 HydrophobicContact CB-CG1 3.69Å; N453-I455 PolarHBondContact O-N 2.97Å; I455-L473 HydrophobicContact CD1-CD2 4.26Å; I455-N476 HydrophobicContact CB-CB 4.31Å; I455-N476 PolarHBondContact N-OD1 3.31Å; I455-L479 HydrophobicContact CB-CD1 4.04Å; I455-L479 HydrophobicContact CG2-CD1 3.6Å; I455-L479 VanDerWaalsContact O-CD1 3.29Å; I455-L479 WeakPolarHBondContact O-CD1 3.14Å
456	E	93.3	Very high	95.9	Very high	158 Å²	158	40.4 Å²	40.4	74%	0.738	20%	0.199	S	C	*	.			trans	-80.7	-40.9	176.6	-63.8	-178.8	177.1	0	0	112.8	E454 E480	E454-E456 PolarHBondContact O-N 3.38Å; E456-E480 PolarHBondContact O-N 2.88Å
457	L	93.8	Very high	95.8	Very high	66 Å²	66	38 Å²	38	35%	0.346	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.4	-175.8	177	67.2	0	0	0	111.1	R459 E480 A482	L457-R459 HydrophobicContact CD2-CG 4.2Å; L457-R459 HydrophobicContact CG-CG 4.3Å; L457-E480 HydrophobicContact CD1-CB 4.03Å; L457-E480 HydrophobicContact CD1-CG 4.14Å; L457-A482 HydrophobicContact CD1-CB 4.39Å
458	L	95.1	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108	169	-173	68.8	0	0	0	109.8	P424 A462 F463 L473 L479 E480 V481 A482 A485 L486	P424-L458 HydrophobicContact CB-CD1 4.13Å; P424-L458 HydrophobicContact CG-CD1 3.99Å; L458-A462 HydrophobicContact CD1-CB 4Å; L458-F463 HydrophobicContact CD1-CE2 4.01Å; L458-F463 HydrophobicContact CD1-CZ 3.94Å; L458-F463 HydrophobicContact CD2-CE2 4.12Å; L458-L473 HydrophobicContact CD2-CD1 3.75Å; L458-L479 HydrophobicContact CB-CD1 4.11Å; L458-E480 PolarHBondContact N-O 3.47Å; L458-V481 HydrophobicContact CD2-CG1 4.48Å; L458-A482 WeakPolarHBondContact O-CB 3.42Å; L458-A482 PolarHBondContact O-N 3.35Å; L458-A485 HydrophobicContact CB-CB 4.43Å; L458-A485 HydrophobicContact CD2-CB 3.86Å; L458-A485 HydrophobicContact CG-CB 3.88Å; L458-L486 HydrophobicContact CD2-CD2 4.21Å
459	R	93.8	Very high	95.8	Very high	53 Å²	53	39.4 Å²	39.4	20%	0.2	21%	0.205	C	C	.	.			trans	-74.2	158.7	-174.6	-66.5	-179.3	-177.9	75.5	9.1	113.1	P424 L457 A462 A485	P424-R459 PolarHBondContact O-NH1 2.83Å; L457-R459 HydrophobicContact CD2-CG 4.2Å; L457-R459 HydrophobicContact CG-CG 4.3Å; R459-A462 PolarHBondContact O-N 3.1Å; R459-A485 WeakPolarHBondContact O-CA 3.42Å
460	A	93	Very high	95.8	Very high	30 Å²	30	42.1 Å²	42.1	25%	0.248	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	135.1	177.1	0	0	0	0	0	111.6	G427 A462 G484	G427-A460 PolarHBondContact N-O 3.35Å; A460-A462 VanDerWaalsContact C-N 3.33Å; A460-A462 PolarHBondContact O-N 3.01Å; A460-G484 WeakPolarHBondContact CA-O 3.38Å
461	G	92.6	Very high	95.8	Very high	9 Å²	9	42.1 Å²	42.1	9%	0.093	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	20.6	177	0	0	0	0	0	115.6	F463 L464 G484	G461-F463 PolarHBondContact O-N 3.31Å; G461-F463 VanDerWaalsContact O-N 3.14Å; G461-L464 WeakPolarHBondContact O-CB 3.37Å; G461-L464 PolarHBondContact O-N 3.28Å; G461-G484 PolarHBondContact N-O 3.3Å
462	A	94	Very high	95.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.3	180	0	0	0	0	0	113.9	P424 C425 F439 S440 L458 R459 A460	P424-A462 HydrophobicContact CB-CB 4.24Å; C425-A462 WeakPolarHBondContact O-CA 3.01Å; C425-A462 WeakPolarHBondContact O-CB 3.26Å; F439-A462 CarbonylContact C-O 3.38Å; S440-A462 PolarHBondContact N-O 3.34Å; L458-A462 HydrophobicContact CD1-CB 4Å; R459-A462 PolarHBondContact O-N 3.1Å; A460-A462 VanDerWaalsContact C-N 3.33Å; A460-A462 PolarHBondContact O-N 3.01Å
463	F	95.8	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	20	-177.7	-46.5	-67.9	0	0	0	113.1	F439 L448 L450 L458 G461 H465 T466 L468 L471 L486 L489	F439-F463 HydrophobicContact CB-CD1 3.88Å; F439-F463 HydrophobicContact CB-CE1 4.09Å; F439-F463 HydrophobicContact CG-CE1 4.48Å; L448-F463 HydrophobicContact CD2-CD1 4.13Å; L448-F463 HydrophobicContact CD2-CE1 3.65Å; L450-F463 HydrophobicContact CD1-CE1 4.23Å; L450-F463 HydrophobicContact CD1-CZ 4.22Å; L458-F463 HydrophobicContact CD1-CE2 4.01Å; L458-F463 HydrophobicContact CD1-CZ 3.94Å; L458-F463 HydrophobicContact CD2-CE2 4.12Å; G461-F463 PolarHBondContact O-N 3.31Å; G461-F463 VanDerWaalsContact O-N 3.14Å; F463-H465 PolarHBondContact O-N 3.11Å; F463-T466 WeakPolarHBondContact O-CB 3.11Å; F463-T466 PolarHBondContact O-N 3.48Å; F463-L468 HydrophobicContact CD1-CD1 4.08Å; F463-L468 HydrophobicContact CG-CD1 4.3Å; F463-L471 HydrophobicContact CD2-CD2 4.15Å; F463-L471 HydrophobicContact CE1-CD1 4.32Å; F463-L471 HydrophobicContact CE2-CD2 3.72Å; F463-L471 HydrophobicContact CZ-CD1 4.04Å; F463-L471 HydrophobicContact CZ-CD2 4.1Å; F463-L486 HydrophobicContact CD2-CD2 3.95Å; F463-L486 HydrophobicContact CE2-CD2 3.81Å; F463-L489 HydrophobicContact CB-CD1 3.94Å; F463-L489 HydrophobicContact CB-CD2 3.98Å; F463-L489 HydrophobicContact CB-CG 4.04Å; F463-L489 HydrophobicContact CD2-CD1 3.82Å; F463-L489 HydrophobicContact CG-CD1 4.1Å
464	L	94.3	Very high	95.9	Very high	44 Å²	44	40.2 Å²	40.2	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	133.3	-178.5	-170.9	69	0	0	0	110.5	S440 G441 G461 T466	S440-L464 CarbonylContact C-O 3.52Å; S440-L464 VanDerWaalsContact CA-O 3.23Å; S440-L464 WeakPolarHBondContact CA-O 3.23Å; S440-L464 VanDerWaalsContact CB-O 3.27Å; S440-L464 WeakPolarHBondContact CB-O 3.29Å; G441-L464 PolarHBondContact N-O 2.76Å; G461-L464 WeakPolarHBondContact O-CB 3.37Å; G461-L464 PolarHBondContact O-N 3.28Å; L464-T466 VanDerWaalsContact C-N 3.25Å; L464-T466 PolarHBondContact O-N 2.61Å
465	H	94.3	Very high	96	Very high	142 Å²	142	36.8 Å²	36.8	66%	0.657	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	23.5	-175.7	-52.6	-60.3	0	0	0	115.4	F463	F463-H465 PolarHBondContact O-N 3.11Å
466	T	96.6	Very high	96.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.195	C	C	.	.			trans	-123.7	93.8	175.8	-59.8	0	0	0	0	108.7	F439 G441 I442 L445 F463 L464 L468 L489	F439-T466 WeakPolarHBondContact O-CB 3.42Å; F439-T466 PolarHBondContact O-OG1 2.99Å; G441-T466 PolarHBondContact N-OG1 3.17Å; I442-T466 HydrophobicContact CB-CG2 4.2Å; I442-T466 PolarHBondContact N-OG1 3.41Å; I442-T466 VanDerWaalsContact N-OG1 3.09Å; I442-T466 WeakPolarHBondContact O-CG2 3.39Å; L445-T466 HydrophobicContact CB-CG2 3.9Å; L445-T466 HydrophobicContact CD2-CG2 4.13Å; F463-T466 WeakPolarHBondContact O-CB 3.11Å; F463-T466 PolarHBondContact O-N 3.48Å; L464-T466 VanDerWaalsContact C-N 3.25Å; L464-T466 PolarHBondContact O-N 2.61Å; T466-L468 HydrophobicContact CG2-CD2 3.88Å; T466-L468 HydrophobicContact CG2-CG 3.94Å; T466-L468 PolarHBondContact O-N 3.32Å; T466-L489 WeakPolarHBondContact O-CD2 3.29Å
467	P	97.1	Very high	96.3	Very high	46 Å²	46	34 Å²	34	30%	0.299	19%	0.191	S	C	.	.			trans	-78	72.8	-170.8	32	-34.3	0	0	0	111.7	S492	P467-S492 VanDerWaalsContact C-OG 3.28Å; P467-S492 WeakPolarHBondContact CA-OG 3.39Å
468	L	98.5	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.			trans	-66	137.5	177.4	-62	175.3	0	0	0	110.4	L445 R446 L448 F463 T466 L471 L489 S492 L493	L445-L468 HydrophobicContact CB-CD2 4.09Å; L445-L468 HydrophobicContact CD2-CD2 3.82Å; L445-L468 HydrophobicContact CG-CD2 3.66Å; R446-L468 CarbonylContact O-C 3.11Å; R446-L468 WeakPolarHBondContact O-CA 3.4Å; L448-L468 HydrophobicContact CB-CD1 4.05Å; L448-L468 HydrophobicContact CB-CD2 3.98Å; L448-L468 HydrophobicContact CD2-CD1 4.12Å; F463-L468 HydrophobicContact CD1-CD1 4.08Å; F463-L468 HydrophobicContact CG-CD1 4.3Å; T466-L468 HydrophobicContact CG2-CD2 3.88Å; T466-L468 HydrophobicContact CG2-CG 3.94Å; T466-L468 PolarHBondContact O-N 3.32Å; L468-L471 HydrophobicContact CD1-CB 4.34Å; L468-L471 HydrophobicContact CD1-CD1 4.1Å; L468-L489 HydrophobicContact CB-CD2 3.89Å; L468-L489 HydrophobicContact CD1-CD1 4.44Å; L468-L489 HydrophobicContact CD1-CD2 4.29Å; L468-L489 HydrophobicContact CG-CD2 4.11Å; L468-S492 PolarHBondContact N-OG 3.36Å; L468-S492 CarbonylContact O-C 3.31Å; L468-S492 WeakPolarHBondContact O-CB 3.34Å; L468-S492 PolarHBondContact O-OG 3.17Å; L468-L493 HydrophobicContact CB-CD1 4.25Å; L468-L493 VanDerWaalsContact O-CA 3.25Å; L468-L493 WeakPolarHBondContact O-CA 3.4Å; L468-L493 PolarHBondContact O-N 3.43Å
469	T	98.4	Very high	96.5	Very high	47 Å²	47	34 Å²	34	29%	0.288	21%	0.206	S	C	.	.	S	Bend	trans	-94.1	-27.8	168	56.8	0	0	0	0	111.3	R446 E494 V495	R446-T469 PolarHBondContact O-N 3.48Å; R446-T469 PolarHBondContact O-OG1 3Å; T469-E494 WeakPolarHBondContact O-CA 3.36Å; T469-E494 WeakPolarHBondContact O-CB 3.25Å; T469-E494 PolarHBondContact O-N 3.41Å; T469-V495 PolarHBondContact O-N 2.72Å
470	E	98.8	Very high	96.5	Very high	72 Å²	72	37.1 Å²	37.1	34%	0.336	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.4	179.8	177.7	178.3	-146.9	0	0	110	R446 S447 L448 V495	R446-E470 PolarHBondContact O-N 3.01Å; S447-E470 WeakPolarHBondContact CA-O 3.15Å; S447-E470 WeakPolarHBondContact CB-OE2 3.24Å; S447-E470 PolarHBondContact OG-OE2 2.96Å; L448-E470 PolarHBondContact N-O 2.98Å; E470-V495 WeakPolarHBondContact CA-O 3.45Å; E470-V495 HydrophobicContact CB-CB 4.2Å; E470-V495 HydrophobicContact CG-CB 4.05Å; E470-V495 HydrophobicContact CG-CG1 4.16Å
471	L	98.8	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.2	174.7	177.9	60.6	0	0	0	109.6	L448 F463 L468 L473 L486 L489 L493 V495 L496 A497	L448-L471 HydrophobicContact CB-CD1 4.26Å; L448-L471 HydrophobicContact CD2-CD1 4.13Å; L448-L471 HydrophobicContact CG-CD1 4.22Å; L448-L471 WeakPolarHBondContact O-CA 3.32Å; F463-L471 HydrophobicContact CD2-CD2 4.15Å; F463-L471 HydrophobicContact CE1-CD1 4.32Å; F463-L471 HydrophobicContact CE2-CD2 3.72Å; F463-L471 HydrophobicContact CZ-CD1 4.04Å; F463-L471 HydrophobicContact CZ-CD2 4.1Å; L468-L471 HydrophobicContact CD1-CB 4.34Å; L468-L471 HydrophobicContact CD1-CD1 4.1Å; L471-L473 HydrophobicContact CD1-CD1 4.36Å; L471-L473 HydrophobicContact CD1-CG 4.08Å; L471-L473 HydrophobicContact CD2-CD1 3.77Å; L471-L473 HydrophobicContact CD2-CG 4.37Å; L471-L473 HydrophobicContact CG-CD1 3.99Å; L471-L473 HydrophobicContact CG-CG 4.06Å; L471-L486 HydrophobicContact CD2-CD2 3.6Å; L471-L489 HydrophobicContact CD2-CD1 3.94Å; L471-L493 HydrophobicContact CB-CD1 3.82Å; L471-V495 PolarHBondContact N-O 2.88Å; L471-L496 HydrophobicContact CB-CD1 4.3Å; L471-L496 HydrophobicContact CD2-CD1 4.21Å; L471-L496 HydrophobicContact CG-CD1 4.29Å; L471-L496 WeakPolarHBondContact O-CA 3.43Å; L471-A497 PolarHBondContact O-N 3.22Å
472	D	98.8	Very high	96.7	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.2	173.9	-161.9	-14.7	0	0	0	110.5	L448 L450 V451 S474 A497	L448-D472 PolarHBondContact O-N 3.42Å; L450-D472 PolarHBondContact N-O 2.95Å; V451-D472 HydrophobicContact CG2-CB 3.8Å; V451-D472 WeakPolarHBondContact CG2-OD1 3.39Å; V451-D472 WeakPolarHBondContact CG2-OD2 3.23Å; D472-S474 WeakPolarHBondContact OD1-CB 3.33Å; D472-S474 PolarHBondContact OD1-N 3.41Å; D472-S474 PolarHBondContact OD1-OG 3.29Å; D472-A497 HydrophobicContact CB-CB 4.34Å; D472-A497 WeakPolarHBondContact OD1-CB 3.46Å
473	L	98.4	Very high	96.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	25%	0.248	C	C	.	.			trans	-119	18.9	179.5	-75.1	164.3	0	0	0	110.9	L450 I455 L458 L471 N476 L486 A497 L498 N501	L450-L473 HydrophobicContact CB-CD2 3.91Å; L450-L473 HydrophobicContact CD1-CD2 3.93Å; I455-L473 HydrophobicContact CD1-CD2 4.26Å; L458-L473 HydrophobicContact CD2-CD1 3.75Å; L471-L473 HydrophobicContact CD1-CD1 4.36Å; L471-L473 HydrophobicContact CD1-CG 4.08Å; L471-L473 HydrophobicContact CD2-CD1 3.77Å; L471-L473 HydrophobicContact CD2-CG 4.37Å; L471-L473 HydrophobicContact CG-CD1 3.99Å; L471-L473 HydrophobicContact CG-CG 4.06Å; L473-N476 PolarHBondContact O-ND2 2.75Å; L473-L486 HydrophobicContact CD1-CD2 4.49Å; L473-A497 PolarHBondContact N-O 2.9Å; L473-L498 HydrophobicContact CB-CD2 3.69Å; L473-L498 HydrophobicContact CD1-CD2 3.97Å; L473-N501 PolarHBondContact O-ND2 2.91Å; L473-N501 PolarHBondContact O-OD1 3.15Å
474	S	98.6	Very high	96.3	Very high	8 Å²	8	42.9 Å²	42.9	6%	0.056	26%	0.26	C	S	.	.			trans	-66.7	163.1	-176.6	-52.7	0	0	0	0	112.9	V451 D452 D472 N476 A497 Q499	V451-S474 CarbonylContact C-O 3.4Å; V451-S474 WeakPolarHBondContact CA-O 3.1Å; V451-S474 WeakPolarHBondContact CG1-O 3.44Å; D452-S474 PolarHBondContact N-O 3.34Å; D472-S474 WeakPolarHBondContact OD1-CB 3.33Å; D472-S474 PolarHBondContact OD1-N 3.41Å; D472-S474 PolarHBondContact OD1-OG 3.29Å; S474-N476 VanDerWaalsContact C-N 3.28Å; S474-N476 PolarHBondContact O-N 2.61Å; S474-N476 PolarHBondContact O-ND2 3.04Å; S474-A497 WeakPolarHBondContact OG-CB 3.49Å; S474-Q499 CarbonylContact C-O 3.5Å; S474-Q499 WeakPolarHBondContact CA-O 3.46Å; S474-Q499 VanDerWaalsContact CB-O 3.3Å; S474-Q499 WeakPolarHBondContact CB-O 3.46Å; S474-Q499 PolarHBondContact OG-N 3.42Å; S474-Q499 VanDerWaalsContact OG-N 3.11Å
475	S	98.2	Very high	96.3	Very high	49 Å²	49	40.9 Å²	40.9	34%	0.343	25%	0.25	S	C	.	.	S	Bend	trans	54.9	39.5	177.4	-53.4	0	0	0	0	113.6	D452 P477 Q499 N501	D452-S475 VanDerWaalsContact CA-O 3.22Å; D452-S475 WeakPolarHBondContact CA-O 3.33Å; D452-S475 PolarHBondContact N-O 3.19Å; S475-P477 WeakPolarHBondContact O-CD 3.29Å; S475-Q499 PolarHBondContact N-O 3.03Å; S475-N501 PolarHBondContact N-OD1 3.39Å
476	N	97.9	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.22	C	C	.	.			trans	-111.9	82.2	167.4	-70.9	-72.4	0	0	0	108.6	L450 N453 E454 I455 L473 S474 G478 L479 N501	L450-N476 PolarHBondContact O-ND2 2.87Å; N453-N476 PolarHBondContact N-OD1 2.82Å; E454-N476 PolarHBondContact N-OD1 3.36Å; E454-N476 VanDerWaalsContact N-OD1 3.12Å; I455-N476 HydrophobicContact CB-CB 4.31Å; I455-N476 PolarHBondContact N-OD1 3.31Å; L473-N476 PolarHBondContact O-ND2 2.75Å; S474-N476 VanDerWaalsContact C-N 3.28Å; S474-N476 PolarHBondContact O-N 2.61Å; S474-N476 PolarHBondContact O-ND2 3.04Å; N476-G478 PolarHBondContact O-N 2.79Å; N476-L479 HydrophobicContact CB-CB 4.09Å; N476-L479 HydrophobicContact CB-CD2 4.46Å; N476-L479 WeakPolarHBondContact O-CB 3.27Å; N476-L479 PolarHBondContact O-N 2.91Å; N476-L479 VanDerWaalsContact O-N 3.13Å; N476-N501 PolarHBondContact N-OD1 2.81Å; N476-N501 WeakPolarHBondContact O-CA 3.44Å; N476-N501 PolarHBondContact O-OD1 2.97Å
477	P	96.4	Very high	96.2	Very high	101 Å²	101	37.2 Å²	37.2	66%	0.656	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	129	-174	-20.5	33.4	0	0	0	111.5	S475 L479	S475-P477 WeakPolarHBondContact O-CD 3.29Å; P477-L479 VanDerWaalsContact C-N 3.34Å
478	G	95	Very high	96	Very high	61 Å²	61	36.5 Å²	36.5	63%	0.629	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	8.2	-178.3	0	0	0	0	0	114.1	N476 E480 N501	N476-G478 PolarHBondContact O-N 2.79Å; G478-E480 PolarHBondContact O-N 3.35Å; G478-N501 PolarHBondContact N-O 3.06Å
479	L	96.6	Very high	95.9	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	24%	0.238	C	C	.	.			trans	-53.6	121.5	175.9	177.5	67.8	0	0	0	111.6	I455 L458 N476 P477 V481 L498 N501 L503	I455-L479 HydrophobicContact CB-CD1 4.04Å; I455-L479 HydrophobicContact CG2-CD1 3.6Å; I455-L479 VanDerWaalsContact O-CD1 3.29Å; I455-L479 WeakPolarHBondContact O-CD1 3.14Å; L458-L479 HydrophobicContact CB-CD1 4.11Å; N476-L479 HydrophobicContact CB-CB 4.09Å; N476-L479 HydrophobicContact CB-CD2 4.46Å; N476-L479 WeakPolarHBondContact O-CB 3.27Å; N476-L479 PolarHBondContact O-N 2.91Å; N476-L479 VanDerWaalsContact O-N 3.13Å; P477-L479 VanDerWaalsContact C-N 3.34Å; L479-V481 HydrophobicContact CD2-CG2 4.04Å; L479-V481 HydrophobicContact CG-CG2 4.13Å; L479-L498 HydrophobicContact CD2-CD2 4.1Å; L479-N501 HydrophobicContact CB-CB 4.21Å; L479-N501 VanDerWaalsContact CD2-ND2 3.34Å; L479-N501 WeakPolarHBondContact CD2-ND2 3.42Å; L479-L503 WeakPolarHBondContact O-CD2 3.47Å
480	E	95.4	Very high	95.7	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.7	166.5	-170.9	175.5	176.7	0	0	109.6	E456 L457 L458 G478	E456-E480 PolarHBondContact O-N 2.88Å; L457-E480 HydrophobicContact CD1-CB 4.03Å; L457-E480 HydrophobicContact CD1-CG 4.14Å; L458-E480 PolarHBondContact N-O 3.47Å; G478-E480 PolarHBondContact O-N 3.35Å
481	V	95.4	Very high	95.5	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.8	175.7	-177.9	0	0	0	0	108.1	L458 L479 A485 L503 V508	L458-V481 HydrophobicContact CD2-CG1 4.48Å; L479-V481 HydrophobicContact CD2-CG2 4.04Å; L479-V481 HydrophobicContact CG-CG2 4.13Å; V481-A485 HydrophobicContact CG1-CB 3.76Å; V481-L503 HydrophobicContact CG2-CD2 4.32Å; V481-V508 HydrophobicContact CG1-CG2 3.93Å
482	A	93.5	Very high	95.5	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	26%	0.258	C	S	.	.			trans	-65.2	153	177.9	0	0	0	0	0	111.5	L457 L458 G484 A485	L457-A482 HydrophobicContact CD1-CB 4.39Å; L458-A482 WeakPolarHBondContact O-CB 3.42Å; L458-A482 PolarHBondContact O-N 3.35Å; A482-G484 PolarHBondContact O-N 3.42Å; A482-A485 WeakPolarHBondContact O-CB 3.36Å; A482-A485 PolarHBondContact O-N 3.29Å
483	T	91.4	Very high	95.4	Very high	106 Å²	106	36.1 Å²	36.1	65%	0.65	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	124.2	173	-61	0	0	0	0	109.9	Q507	T483-Q507 PolarHBondContact OG1-OE1 3.02Å
484	G	90.6	Very high	95.4	Very high	25 Å²	25	39.4 Å²	39.4	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	17.4	-177.3	0	0	0	0	0	115	A460 G461 A482 L486 T487	A460-G484 WeakPolarHBondContact CA-O 3.38Å; G461-G484 PolarHBondContact N-O 3.3Å; A482-G484 PolarHBondContact O-N 3.42Å; G484-L486 VanDerWaalsContact C-N 3.28Å; G484-L486 PolarHBondContact O-N 3.25Å; G484-T487 VanDerWaalsContact C-OG1 3.29Å; G484-T487 WeakPolarHBondContact CA-OG1 3.22Å; G484-T487 WeakPolarHBondContact O-CB 3.24Å; G484-T487 PolarHBondContact O-N 2.97Å; G484-T487 PolarHBondContact O-OG1 2.89Å
485	A	94.2	Very high	95.4	Very high	1 Å²	1	41 Å²	41	1%	0.008	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40	173	0	0	0	0	0	113.2	L458 R459 V481 A482	L458-A485 HydrophobicContact CB-CB 4.43Å; L458-A485 HydrophobicContact CD2-CB 3.86Å; L458-A485 HydrophobicContact CG-CB 3.88Å; R459-A485 WeakPolarHBondContact O-CA 3.42Å; V481-A485 HydrophobicContact CG1-CB 3.76Å; A482-A485 WeakPolarHBondContact O-CB 3.36Å; A482-A485 PolarHBondContact O-N 3.29Å
486	L	95.6	Very high	95.5	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	14.5	-178.6	-58	179.9	0	0	0	113.3	L458 F463 L471 L473 G484 G488 L489 L496 V508 F513	L458-L486 HydrophobicContact CD2-CD2 4.21Å; F463-L486 HydrophobicContact CD2-CD2 3.95Å; F463-L486 HydrophobicContact CE2-CD2 3.81Å; L471-L486 HydrophobicContact CD2-CD2 3.6Å; L473-L486 HydrophobicContact CD1-CD2 4.49Å; G484-L486 VanDerWaalsContact C-N 3.28Å; G484-L486 PolarHBondContact O-N 3.25Å; L486-G488 PolarHBondContact O-N 3.49Å; L486-L489 HydrophobicContact CB-CD1 4.38Å; L486-L489 HydrophobicContact CD2-CD1 4.05Å; L486-L489 WeakPolarHBondContact O-CB 3.22Å; L486-L489 PolarHBondContact O-N 3.15Å; L486-L496 HydrophobicContact CD1-CD1 4.48Å; L486-L496 HydrophobicContact CD1-CD2 4Å; L486-V508 HydrophobicContact CD1-CG1 3.93Å; L486-V508 HydrophobicContact CD1-CG2 3.83Å; L486-V508 HydrophobicContact CG-CG2 4.43Å; L486-F513 HydrophobicContact CB-CE1 4.44Å; L486-F513 HydrophobicContact CB-CZ 3.84Å; L486-F513 HydrophobicContact CD1-CZ 4.44Å
487	T	92.7	Very high	95.5	Very high	60 Å²	60	39.1 Å²	39.1	37%	0.368	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	133.7	-179.7	-53.5	0	0	0	0	111.2	G484 E490	G484-T487 VanDerWaalsContact C-OG1 3.29Å; G484-T487 WeakPolarHBondContact CA-OG1 3.22Å; G484-T487 WeakPolarHBondContact O-CB 3.24Å; G484-T487 PolarHBondContact O-N 2.97Å; G484-T487 PolarHBondContact O-OG1 2.89Å; T487-E490 WeakPolarHBondContact CA-OE1 2.99Å
488	G	92	Very high	95.6	Very high	31 Å²	31	34.4 Å²	34.4	32%	0.32	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-4.6	-176.3	0	0	0	0	0	114.4	L486 E490	L486-G488 PolarHBondContact O-N 3.49Å; G488-E490 VanDerWaalsContact C-OE2 3.27Å; G488-E490 WeakPolarHBondContact CA-OE2 3.22Å; G488-E490 PolarHBondContact N-OE1 3.02Å; G488-E490 PolarHBondContact N-OE2 2.95Å
489	L	96.8	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.			trans	-100.1	-7.9	177.8	-61.8	-175.7	0	0	0	113.6	F463 T466 L468 L471 L486 A491 S492 L493 F513	F463-L489 HydrophobicContact CB-CD1 3.94Å; F463-L489 HydrophobicContact CB-CD2 3.98Å; F463-L489 HydrophobicContact CB-CG 4.04Å; F463-L489 HydrophobicContact CD2-CD1 3.82Å; F463-L489 HydrophobicContact CG-CD1 4.1Å; T466-L489 WeakPolarHBondContact O-CD2 3.29Å; L468-L489 HydrophobicContact CB-CD2 3.89Å; L468-L489 HydrophobicContact CD1-CD1 4.44Å; L468-L489 HydrophobicContact CD1-CD2 4.29Å; L468-L489 HydrophobicContact CG-CD2 4.11Å; L471-L489 HydrophobicContact CD2-CD1 3.94Å; L486-L489 HydrophobicContact CB-CD1 4.38Å; L486-L489 HydrophobicContact CD2-CD1 4.05Å; L486-L489 WeakPolarHBondContact O-CB 3.22Å; L486-L489 PolarHBondContact O-N 3.15Å; L489-A491 PolarHBondContact O-N 3.5Å; L489-A491 VanDerWaalsContact O-N 3.14Å; L489-S492 PolarHBondContact O-N 3.31Å; L489-S492 VanDerWaalsContact O-N 3.09Å; L489-L493 HydrophobicContact CB-CB 4.26Å; L489-L493 WeakPolarHBondContact O-CB 3.46Å; L489-L493 PolarHBondContact O-N 3.08Å; L489-F513 HydrophobicContact CB-CE1 3.88Å
490	E	94.8	Very high	95.8	Very high	59 Å²	59	34.6 Å²	34.6	28%	0.276	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.8	-171.8	-57.9	86.8	166.9	0	0	112.7	T487 G488 C512 F513 I514	T487-E490 WeakPolarHBondContact CA-OE1 2.99Å; G488-E490 VanDerWaalsContact C-OE2 3.27Å; G488-E490 WeakPolarHBondContact CA-OE2 3.22Å; G488-E490 PolarHBondContact N-OE1 3.02Å; G488-E490 PolarHBondContact N-OE2 2.95Å; E490-C512 HydrophobicContact CG-CB 4.37Å; E490-F513 HydrophobicContact CG-CD2 4.42Å; E490-F513 HydrophobicContact CG-CE2 4.08Å; E490-F513 HydrophobicContact CG-CZ 4.12Å; E490-F513 WeakPolarHBondContact O-CA 3.39Å; E490-I514 PolarHBondContact O-N 2.85Å
491	A	95	Very high	95.9	Very high	75 Å²	75	29 Å²	29	62%	0.62	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-11	-178.3	0	0	0	0	0	114.5	L489 C515	L489-A491 PolarHBondContact O-N 3.5Å; L489-A491 VanDerWaalsContact O-N 3.14Å; A491-C515 PolarHBondContact O-SG 2.94Å
492	S	97.3	Very high	95.9	Very high	21 Å²	21	30 Å²	30	15%	0.147	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-30.1	-172	67.2	0	0	0	0	114.6	P467 L468 L489 E494	P467-S492 VanDerWaalsContact C-OG 3.28Å; P467-S492 WeakPolarHBondContact CA-OG 3.39Å; L468-S492 PolarHBondContact N-OG 3.36Å; L468-S492 CarbonylContact O-C 3.31Å; L468-S492 WeakPolarHBondContact O-CB 3.34Å; L468-S492 PolarHBondContact O-OG 3.17Å; L489-S492 PolarHBondContact O-N 3.31Å; L489-S492 VanDerWaalsContact O-N 3.09Å; S492-E494 PolarHBondContact O-N 3.01Å
493	L	98.3	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	20%	0.197	C	C	.	.			trans	-72.6	124.5	-168.9	-163.6	67.6	0	0	0	111.7	L468 L471 L489 V495 L496 F513 C515 L516	L468-L493 HydrophobicContact CB-CD1 4.25Å; L468-L493 VanDerWaalsContact O-CA 3.25Å; L468-L493 WeakPolarHBondContact O-CA 3.4Å; L468-L493 PolarHBondContact O-N 3.43Å; L471-L493 HydrophobicContact CB-CD1 3.82Å; L489-L493 HydrophobicContact CB-CB 4.26Å; L489-L493 WeakPolarHBondContact O-CB 3.46Å; L489-L493 PolarHBondContact O-N 3.08Å; L493-V495 WeakPolarHBondContact CD1-O 3.49Å; L493-L496 HydrophobicContact CD2-CB 3.95Å; L493-L496 HydrophobicContact CD2-CD1 4.24Å; L493-L496 HydrophobicContact CD2-CD2 4.32Å; L493-L496 HydrophobicContact CD2-CG 4.39Å; L493-F513 HydrophobicContact CB-CD1 4.05Å; L493-F513 HydrophobicContact CB-CE1 4.35Å; L493-F513 HydrophobicContact CD2-CD1 4Å; L493-F513 HydrophobicContact CD2-CE1 3.86Å; L493-C515 CarbonylContact O-C 3.19Å; L493-L516 HydrophobicContact CD2-CD1 4.47Å; L493-L516 HydrophobicContact CG-CD1 4.35Å; L493-L516 VanDerWaalsContact O-CA 3.28Å; L493-L516 WeakPolarHBondContact O-CA 3.14Å; L493-L516 PolarHBondContact O-N 2.93Å; L493-L516 VanDerWaalsContact O-N 3.15Å
494	E	98.4	Very high	96.2	Very high	70 Å²	70	28.6 Å²	28.6	33%	0.327	19%	0.192	S	C	.	.			trans	-107.8	-31.2	177.8	-58.7	-167.6	-161.3	0	0	112.2	T469 S492 C515 K517 R518	T469-E494 WeakPolarHBondContact O-CA 3.36Å; T469-E494 WeakPolarHBondContact O-CB 3.25Å; T469-E494 PolarHBondContact O-N 3.41Å; S492-E494 PolarHBondContact O-N 3.01Å; E494-C515 WeakPolarHBondContact CA-O 3.21Å; E494-K517 WeakPolarHBondContact O-CA 3.5Å; E494-K517 PolarHBondContact O-N 3.01Å; E494-K517 IonicContact OE1-NZ 3.94Å; E494-K517 WeakPolarHBondContact OE2-CE 3.11Å; E494-K517 IonicContact OE2-NZ 2.66Å; E494-K517 PolarHBondContact OE2-NZ 2.99Å; E494-R518 PolarHBondContact O-N 3.05Å
495	V	98.8	Very high	96.3	Very high	40 Å²	40	30.6 Å²	30.6	24%	0.242	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123	-178.2	-178.2	0	0	0	0	109.5	T469 E470 L471 L493 R518	T469-V495 PolarHBondContact O-N 2.72Å; E470-V495 WeakPolarHBondContact CA-O 3.45Å; E470-V495 HydrophobicContact CB-CB 4.2Å; E470-V495 HydrophobicContact CG-CB 4.05Å; E470-V495 HydrophobicContact CG-CG1 4.16Å; L471-V495 PolarHBondContact N-O 2.88Å; L493-V495 WeakPolarHBondContact CD1-O 3.49Å; V495-R518 WeakPolarHBondContact CA-O 3.34Å; V495-R518 HydrophobicContact CG1-CB 4.33Å; V495-R518 HydrophobicContact CG2-CB 4.24Å; V495-R518 HydrophobicContact CG2-CG 4.47Å
496	L	98.6	Very high	96.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.8	173.5	179.7	58.6	0	0	0	110.1	L471 L486 L493 L498 L510 L516 R518 L519 N520	L471-L496 HydrophobicContact CB-CD1 4.3Å; L471-L496 HydrophobicContact CD2-CD1 4.21Å; L471-L496 HydrophobicContact CG-CD1 4.29Å; L471-L496 WeakPolarHBondContact O-CA 3.43Å; L486-L496 HydrophobicContact CD1-CD1 4.48Å; L486-L496 HydrophobicContact CD1-CD2 4Å; L493-L496 HydrophobicContact CD2-CB 3.95Å; L493-L496 HydrophobicContact CD2-CD1 4.24Å; L493-L496 HydrophobicContact CD2-CD2 4.32Å; L493-L496 HydrophobicContact CD2-CG 4.39Å; L496-L498 HydrophobicContact CD1-CD1 4.39Å; L496-L498 HydrophobicContact CD1-CG 4.29Å; L496-L498 HydrophobicContact CD2-CD1 4.09Å; L496-L498 HydrophobicContact CG-CD1 4.21Å; L496-L498 HydrophobicContact CG-CG 4.41Å; L496-L510 HydrophobicContact CD2-CD2 4.36Å; L496-L516 HydrophobicContact CB-CD1 3.92Å; L496-R518 PolarHBondContact N-O 3.14Å; L496-L519 HydrophobicContact CB-CD1 4.01Å; L496-L519 HydrophobicContact CD2-CD1 3.93Å; L496-L519 HydrophobicContact CG-CD1 4.03Å; L496-L519 WeakPolarHBondContact O-CA 3.46Å; L496-N520 PolarHBondContact O-N 2.81Å
497	A	98.7	Very high	95.7	Very high	10 Å²	10	35 Å²	35	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	174	0	0	0	0	0	111.2	L471 D472 L473 S474 N520	L471-A497 PolarHBondContact O-N 3.22Å; D472-A497 HydrophobicContact CB-CB 4.34Å; D472-A497 WeakPolarHBondContact OD1-CB 3.46Å; L473-A497 PolarHBondContact N-O 2.9Å; S474-A497 WeakPolarHBondContact OG-CB 3.49Å; A497-N520 HydrophobicContact CB-CB 4.11Å
498	L	98.1	Very high	95.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	21%	0.207	C	C	.	.			trans	-136.2	33.7	179.7	-70.8	160.7	0	0	0	109.3	L473 L479 L496 N501 L503 L506 N520 L521 N524	L473-L498 HydrophobicContact CB-CD2 3.69Å; L473-L498 HydrophobicContact CD1-CD2 3.97Å; L479-L498 HydrophobicContact CD2-CD2 4.1Å; L496-L498 HydrophobicContact CD1-CD1 4.39Å; L496-L498 HydrophobicContact CD1-CG 4.29Å; L496-L498 HydrophobicContact CD2-CD1 4.09Å; L496-L498 HydrophobicContact CG-CD1 4.21Å; L496-L498 HydrophobicContact CG-CG 4.41Å; L498-N501 PolarHBondContact O-ND2 3.21Å; L498-L503 HydrophobicContact CB-CD1 4.17Å; L498-L503 HydrophobicContact CD1-CD1 4.47Å; L498-L506 HydrophobicContact CD1-CD1 3.87Å; L498-N520 PolarHBondContact N-O 2.99Å; L498-L521 HydrophobicContact CB-CD2 4.01Å; L498-L521 HydrophobicContact CD1-CD2 3.87Å; L498-N524 PolarHBondContact O-ND2 3.12Å
499	Q	98.3	Very high	95.5	Very high	52 Å²	52	35.9 Å²	35.9	24%	0.243	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	142.5	-175.1	173	178.9	-21	0	0	110.7	S474 S475 N501 N520 A522 E523	S474-Q499 CarbonylContact C-O 3.5Å; S474-Q499 WeakPolarHBondContact CA-O 3.46Å; S474-Q499 VanDerWaalsContact CB-O 3.3Å; S474-Q499 WeakPolarHBondContact CB-O 3.46Å; S474-Q499 PolarHBondContact OG-N 3.42Å; S474-Q499 VanDerWaalsContact OG-N 3.11Å; S475-Q499 PolarHBondContact N-O 3.03Å; Q499-N501 VanDerWaalsContact C-N 3.28Å; Q499-N501 PolarHBondContact O-N 3.36Å; Q499-N501 PolarHBondContact O-OD1 3.14Å; Q499-N520 PolarHBondContact OE1-ND2 3.34Å; Q499-A522 CarbonylContact C-O 3.35Å; Q499-A522 WeakPolarHBondContact CA-O 3.46Å; Q499-A522 HydrophobicContact CG-CB 4.07Å; Q499-A522 WeakPolarHBondContact CG-O 3.2Å; Q499-E523 HydrophobicContact CG-CB 4.21Å; Q499-E523 HydrophobicContact CG-CG 4.43Å; Q499-E523 VanDerWaalsContact NE2-CD 3.34Å; Q499-E523 PolarHBondContact NE2-OE2 3.16Å
500	G	97.8	Very high	95.2	Very high	20 Å²	20	36 Å²	36	21%	0.206	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	16.7	168.2	0	0	0	0	0	115	A522 E523	G500-A522 PolarHBondContact N-O 3.33Å; G500-E523 VanDerWaalsContact CA-O 3.23Å; G500-E523 WeakPolarHBondContact CA-O 3.49Å; G500-E523 PolarHBondContact N-O 3.24Å
501	N	97.9	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-88.3	-14.6	-176.5	-71.2	-9.6	0	0	0	113.2	L473 S475 N476 G478 L479 L498 Q499 L503 N524	L473-N501 PolarHBondContact O-ND2 2.91Å; L473-N501 PolarHBondContact O-OD1 3.15Å; S475-N501 PolarHBondContact N-OD1 3.39Å; N476-N501 PolarHBondContact N-OD1 2.81Å; N476-N501 WeakPolarHBondContact O-CA 3.44Å; N476-N501 PolarHBondContact O-OD1 2.97Å; G478-N501 PolarHBondContact N-O 3.06Å; L479-N501 HydrophobicContact CB-CB 4.21Å; L479-N501 VanDerWaalsContact CD2-ND2 3.34Å; L479-N501 WeakPolarHBondContact CD2-ND2 3.42Å; L498-N501 PolarHBondContact O-ND2 3.21Å; Q499-N501 VanDerWaalsContact C-N 3.28Å; Q499-N501 PolarHBondContact O-N 3.36Å; Q499-N501 PolarHBondContact O-OD1 3.14Å; N501-L503 VanDerWaalsContact C-N 3.33Å; N501-L503 HydrophobicContact CB-CD1 4.29Å; N501-L503 HydrophobicContact CB-CD2 4.37Å; N501-L503 HydrophobicContact CB-CG 3.87Å; N501-N524 PolarHBondContact N-OD1 3.38Å
502	G	96.2	Very high	94.9	Very high	28 Å²	28	34 Å²	34	29%	0.289	20%	0.203	S	C	.	.			trans	72.9	23	-177.8	0	0	0	0	0	114.2	T504 N524	G502-T504 PolarHBondContact O-N 3.22Å; G502-N524 PolarHBondContact N-OD1 2.79Å
503	L	96.4	Very high	94.7	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.047	20%	0.197	C	C	.	.			trans	-60	130.8	-178.6	-61.4	171.4	0	0	0	111.4	L479 V481 L498 N501 L506 N524 R525 L526	L479-L503 WeakPolarHBondContact O-CD2 3.47Å; V481-L503 HydrophobicContact CG2-CD2 4.32Å; L498-L503 HydrophobicContact CB-CD1 4.17Å; L498-L503 HydrophobicContact CD1-CD1 4.47Å; N501-L503 VanDerWaalsContact C-N 3.33Å; N501-L503 HydrophobicContact CB-CD1 4.29Å; N501-L503 HydrophobicContact CB-CD2 4.37Å; N501-L503 HydrophobicContact CB-CG 3.87Å; L503-L506 HydrophobicContact CD1-CD1 4.21Å; L503-N524 HydrophobicContact CB-CB 4.3Å; L503-N524 WeakPolarHBondContact CB-OD1 3.39Å; L503-N524 WeakPolarHBondContact CG-OD1 3.29Å; L503-N524 PolarHBondContact N-OD1 3.18Å; L503-R525 CarbonylContact O-C 3.47Å; L503-R525 VanDerWaalsContact O-CA 3.24Å; L503-R525 WeakPolarHBondContact O-CA 3.43Å; L503-R525 WeakPolarHBondContact O-CB 3.42Å; L503-R525 PolarHBondContact O-N 3.15Å; L503-L526 HydrophobicContact CB-CD2 3.94Å; L503-L526 HydrophobicContact CB-CG 4.35Å; L503-L526 PolarHBondContact O-N 2.88Å
504	T	94.1	Very high	94.4	Very high	90 Å²	90	38.7 Å²	38.7	55%	0.552	23%	0.225	S	C	*	.	S	Bend	trans	-96.2	-29.7	173.9	54.9	0	0	0	0	112.4	G502 R525	G502-T504 PolarHBondContact O-N 3.22Å; T504-R525 HydrophobicContact CG2-CB 4.13Å
505	V	92.3	Very high	94.3	Very high	68 Å²	68	37.4 Å²	37.4	41%	0.412	22%	0.223	S	C	.	.	S	Bend	trans	-140.5	147.5	175.1	63.9	0	0	0	0	108.6
506	L	90.8	Very high	94.2	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.094	21%	0.213	C	C	.	.			trans	-110.4	107.7	175.5	-175.3	65.2	0	0	0	109.4	L498 L503 V508 L510 L521 L526	L498-L506 HydrophobicContact CD1-CD1 3.87Å; L503-L506 HydrophobicContact CD1-CD1 4.21Å; L506-V508 HydrophobicContact CD1-CB 4.4Å; L506-V508 HydrophobicContact CD1-CG2 3.96Å; L506-V508 HydrophobicContact CG-CB 4.13Å; L506-V508 HydrophobicContact CG-CG2 4.21Å; L506-V508 PolarHBondContact O-N 2.76Å; L506-V508 VanDerWaalsContact O-N 3.07Å; L506-L510 HydrophobicContact CD2-CD1 3.61Å; L506-L510 HydrophobicContact CD2-CD2 4.28Å; L506-L510 HydrophobicContact CD2-CG 4.06Å; L506-L521 HydrophobicContact CD2-CD1 4.19Å; L506-L521 HydrophobicContact CD2-CD2 4.05Å; L506-L526 HydrophobicContact CB-CD2 4.28Å
507	Q	87.3	Confident	94.1	Very high	83 Å²	83	39.2 Å²	39.2	39%	0.388	23%	0.228	S	C	.	.			trans	-85.2	50.8	179.1	-61.1	-170.5	8.7	0	0	112.2	T483	T483-Q507 PolarHBondContact OG1-OE1 3.02Å
508	V	89.4	Confident	94.1	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.085	25%	0.25	C	S	.	.	S	Bend	trans	-131.4	128.9	179.8	-178.9	0	0	0	0	108.4	V481 L486 L506 L510 F513	V481-V508 HydrophobicContact CG1-CG2 3.93Å; L486-V508 HydrophobicContact CD1-CG1 3.93Å; L486-V508 HydrophobicContact CD1-CG2 3.83Å; L486-V508 HydrophobicContact CG-CG2 4.43Å; L506-V508 HydrophobicContact CD1-CB 4.4Å; L506-V508 HydrophobicContact CD1-CG2 3.96Å; L506-V508 HydrophobicContact CG-CB 4.13Å; L506-V508 HydrophobicContact CG-CG2 4.21Å; L506-V508 PolarHBondContact O-N 2.76Å; L506-V508 VanDerWaalsContact O-N 3.07Å; V508-L510 HydrophobicContact CB-CD2 4.43Å; V508-L510 HydrophobicContact CG1-CD2 3.95Å; V508-L510 HydrophobicContact CG1-CG 4.38Å; V508-L510 PolarHBondContact O-N 2.97Å; V508-F513 HydrophobicContact CG1-CD2 4.46Å; V508-F513 HydrophobicContact CG1-CE2 3.64Å; V508-F513 HydrophobicContact CG1-CZ 4.09Å
509	D	90.1	Very high	94.1	Very high	95 Å²	95	45.8 Å²	45.8	51%	0.508	25%	0.251	S	S	.	.			trans	-79	70.9	174.8	-166.6	17.7	0	0	0	110.5	P511 C512	D509-P511 VanDerWaalsContact C-N 3.27Å; D509-P511 WeakPolarHBondContact OD1-CD 3.49Å; D509-C512 WeakPolarHBondContact O-CB 3.49Å; D509-C512 PolarHBondContact O-N 2.95Å; D509-C512 PolarHBondContact OD2-SG 2.86Å
510	L	91.1	Very high	94.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-49.7	-36.9	-177.6	-65.9	173.7	0	0	0	114.3	L496 L506 V508 C512 F513 L519 P530 W532	L496-L510 HydrophobicContact CD2-CD2 4.36Å; L506-L510 HydrophobicContact CD2-CD1 3.61Å; L506-L510 HydrophobicContact CD2-CD2 4.28Å; L506-L510 HydrophobicContact CD2-CG 4.06Å; V508-L510 HydrophobicContact CB-CD2 4.43Å; V508-L510 HydrophobicContact CG1-CD2 3.95Å; V508-L510 HydrophobicContact CG1-CG 4.38Å; V508-L510 PolarHBondContact O-N 2.97Å; L510-C512 PolarHBondContact O-N 2.82Å; L510-F513 WeakPolarHBondContact O-CB 3.44Å; L510-F513 PolarHBondContact O-N 3Å; L510-L519 HydrophobicContact CD1-CD2 3.66Å; L510-L519 HydrophobicContact CD2-CD1 4.48Å; L510-L519 HydrophobicContact CD2-CD2 4.19Å; L510-P530 HydrophobicContact CB-CG 4.04Å; L510-P530 HydrophobicContact CD1-CG 4.08Å; L510-P530 HydrophobicContact CG-CG 4.22Å; L510-W532 HydrophobicContact CB-CZ2 3.92Å; L510-W532 HydrophobicContact CD1-CH2 4.23Å; L510-W532 HydrophobicContact CD1-CZ2 3.91Å
511	P	90.7	Very high	94.1	Very high	27 Å²	27	44 Å²	44	18%	0.175	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.1	-25.4	174.8	-27.7	35.5	0	0	0	115.4	D509 F513 P530 A531 W532	D509-P511 VanDerWaalsContact C-N 3.27Å; D509-P511 WeakPolarHBondContact OD1-CD 3.49Å; P511-F513 VanDerWaalsContact C-N 3.25Å; P511-F513 PolarHBondContact O-N 2.96Å; P511-P530 HydrophobicContact CG-CB 4.42Å; P511-A531 WeakPolarHBondContact CG-O 3.48Å; P511-W532 HydrophobicContact CG-CG 4.21Å
512	C	92.1	Very high	94.1	Very high	65 Å²	65	44 Å²	44	44%	0.439	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-73.4	-14.7	176.6	-76.6	0	0	0	0	113.5	E490 D509 L510 I514	E490-C512 HydrophobicContact CG-CB 4.37Å; D509-C512 WeakPolarHBondContact O-CB 3.49Å; D509-C512 PolarHBondContact O-N 2.95Å; D509-C512 PolarHBondContact OD2-SG 2.86Å; L510-C512 PolarHBondContact O-N 2.82Å; C512-I514 PolarHBondContact O-N 2.98Å
513	F	94.1	Very high	94.2	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.031	25%	0.245	C	C	.	.			trans	-84	77.8	-178.4	-71.3	-106.2	0	0	0	111.2	L486 L489 E490 L493 V508 L510 P511 C515 L516	L486-F513 HydrophobicContact CB-CE1 4.44Å; L486-F513 HydrophobicContact CB-CZ 3.84Å; L486-F513 HydrophobicContact CD1-CZ 4.44Å; L489-F513 HydrophobicContact CB-CE1 3.88Å; E490-F513 HydrophobicContact CG-CD2 4.42Å; E490-F513 HydrophobicContact CG-CE2 4.08Å; E490-F513 HydrophobicContact CG-CZ 4.12Å; E490-F513 WeakPolarHBondContact O-CA 3.39Å; L493-F513 HydrophobicContact CB-CD1 4.05Å; L493-F513 HydrophobicContact CB-CE1 4.35Å; L493-F513 HydrophobicContact CD2-CD1 4Å; L493-F513 HydrophobicContact CD2-CE1 3.86Å; V508-F513 HydrophobicContact CG1-CD2 4.46Å; V508-F513 HydrophobicContact CG1-CE2 3.64Å; V508-F513 HydrophobicContact CG1-CZ 4.09Å; L510-F513 WeakPolarHBondContact O-CB 3.44Å; L510-F513 PolarHBondContact O-N 3Å; P511-F513 VanDerWaalsContact C-N 3.25Å; P511-F513 PolarHBondContact O-N 2.96Å; F513-C515 PolarHBondContact O-N 2.79Å; F513-C515 VanDerWaalsContact O-N 3.16Å; F513-L516 HydrophobicContact CB-CB 3.93Å; F513-L516 HydrophobicContact CB-CD2 4.39Å; F513-L516 WeakPolarHBondContact O-CB 3.47Å; F513-L516 PolarHBondContact O-N 3.4Å; F513-L516 VanDerWaalsContact O-N 3.14Å
514	I	91.6	Very high	94.2	Very high	112 Å²	112	47.1 Å²	47.1	57%	0.574	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21	-170.7	58.5	170.7	0	0	0	114.7	E490 C512 S537	E490-I514 PolarHBondContact O-N 2.85Å; C512-I514 PolarHBondContact O-N 2.98Å; I514-S537 PolarHBondContact O-OG 3.06Å
515	C	95.5	Very high	94.4	Very high	43 Å²	43	51 Å²	51	29%	0.291	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-3.8	-179.5	-67.1	0	0	0	0	113.4	A491 L493 E494 F513 K517 S537	A491-C515 PolarHBondContact O-SG 2.94Å; L493-C515 CarbonylContact O-C 3.19Å; E494-C515 WeakPolarHBondContact CA-O 3.21Å; F513-C515 PolarHBondContact O-N 2.79Å; F513-C515 VanDerWaalsContact O-N 3.16Å; C515-K517 PolarHBondContact O-N 3.05Å; C515-S537 VanDerWaalsContact C-OG 3.23Å
516	L	97.1	Very high	94.6	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	23%	0.23	C	C	.	.			trans	-67.8	125.3	-174.2	-169.1	68.4	0	0	0	110.3	L493 L496 F513 L519 S537 L538	L493-L516 HydrophobicContact CD2-CD1 4.47Å; L493-L516 HydrophobicContact CG-CD1 4.35Å; L493-L516 VanDerWaalsContact O-CA 3.28Å; L493-L516 WeakPolarHBondContact O-CA 3.14Å; L493-L516 PolarHBondContact O-N 2.93Å; L493-L516 VanDerWaalsContact O-N 3.15Å; L496-L516 HydrophobicContact CB-CD1 3.92Å; F513-L516 HydrophobicContact CB-CB 3.93Å; F513-L516 HydrophobicContact CB-CD2 4.39Å; F513-L516 WeakPolarHBondContact O-CB 3.47Å; F513-L516 PolarHBondContact O-N 3.4Å; F513-L516 VanDerWaalsContact O-N 3.14Å; L516-L519 HydrophobicContact CD2-CB 4.22Å; L516-L519 HydrophobicContact CD2-CD1 4.47Å; L516-L519 HydrophobicContact CD2-CD2 4.39Å; L516-S537 PolarHBondContact N-OG 3.27Å; L516-S537 CarbonylContact O-C 3.37Å; L516-S537 PolarHBondContact O-OG 3.34Å; L516-L538 HydrophobicContact CD2-CD1 4.1Å; L516-L538 HydrophobicContact CG-CD1 3.93Å; L516-L538 VanDerWaalsContact O-CA 3.26Å; L516-L538 WeakPolarHBondContact O-CA 3.43Å; L516-L538 PolarHBondContact O-N 2.81Å; L516-L538 VanDerWaalsContact O-N 3.17Å
517	K	97.1	Very high	94.7	Very high	73 Å²	73	49.4 Å²	49.4	32%	0.317	24%	0.243	S	C	.	.			trans	-112.9	-34.7	-179.1	-67.1	176	-171.3	158.2	0	111.9	E494 C515 E539 V540	E494-K517 WeakPolarHBondContact O-CA 3.5Å; E494-K517 PolarHBondContact O-N 3.01Å; E494-K517 IonicContact OE1-NZ 3.94Å; E494-K517 WeakPolarHBondContact OE2-CE 3.11Å; E494-K517 IonicContact OE2-NZ 2.66Å; E494-K517 PolarHBondContact OE2-NZ 2.99Å; C515-K517 PolarHBondContact O-N 3.05Å; K517-E539 WeakPolarHBondContact O-CA 3.37Å; K517-E539 PolarHBondContact O-N 2.91Å; K517-V540 PolarHBondContact O-N 3.04Å
518	R	98.4	Very high	94.9	Very high	147 Å²	147	50.7 Å²	50.7	56%	0.555	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.7	-178.7	-55.7	-172.8	-177.8	174.9	2.3	110.7	E494 V495 L496 V540	E494-R518 PolarHBondContact O-N 3.05Å; V495-R518 WeakPolarHBondContact CA-O 3.34Å; V495-R518 HydrophobicContact CG1-CB 4.33Å; V495-R518 HydrophobicContact CG2-CB 4.24Å; V495-R518 HydrophobicContact CG2-CG 4.47Å; L496-R518 PolarHBondContact N-O 3.14Å; R518-V540 WeakPolarHBondContact CA-O 3.22Å; R518-V540 HydrophobicContact CB-CB 4.38Å; R518-V540 HydrophobicContact CG-CB 4.08Å; R518-V540 HydrophobicContact CG-CG2 4.2Å
519	L	98	Very high	95	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.4	177.9	179.2	58	0	0	0	109.6	L496 L510 L516 L521 L538 V540 L541 D542	L496-L519 HydrophobicContact CB-CD1 4.01Å; L496-L519 HydrophobicContact CD2-CD1 3.93Å; L496-L519 HydrophobicContact CG-CD1 4.03Å; L496-L519 WeakPolarHBondContact O-CA 3.46Å; L510-L519 HydrophobicContact CD1-CD2 3.66Å; L510-L519 HydrophobicContact CD2-CD1 4.48Å; L510-L519 HydrophobicContact CD2-CD2 4.19Å; L516-L519 HydrophobicContact CD2-CB 4.22Å; L516-L519 HydrophobicContact CD2-CD1 4.47Å; L516-L519 HydrophobicContact CD2-CD2 4.39Å; L519-L521 HydrophobicContact CD1-CD1 4.4Å; L519-L521 HydrophobicContact CD1-CD2 4.08Å; L519-L521 HydrophobicContact CD1-CG 3.99Å; L519-L521 HydrophobicContact CD2-CD1 3.94Å; L519-L521 HydrophobicContact CD2-CG 4.35Å; L519-L521 HydrophobicContact CG-CD1 4.09Å; L519-L521 HydrophobicContact CG-CG 3.95Å; L519-L538 HydrophobicContact CB-CD1 3.8Å; L519-V540 PolarHBondContact N-O 3.31Å; L519-L541 HydrophobicContact CB-CD1 4.08Å; L519-L541 HydrophobicContact CD2-CD1 3.86Å; L519-L541 HydrophobicContact CG-CD1 4.02Å; L519-D542 PolarHBondContact O-N 2.87Å
520	N	98.3	Very high	95	Very high	34 Å²	34	48 Å²	48	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.8	174.8	-175.8	1.9	0	0	0	110.5	L496 A497 L498 Q499 A522 D542	L496-N520 PolarHBondContact O-N 2.81Å; A497-N520 HydrophobicContact CB-CB 4.11Å; L498-N520 PolarHBondContact N-O 2.99Å; Q499-N520 PolarHBondContact OE1-ND2 3.34Å; N520-A522 VanDerWaalsContact OD1-CB 3.27Å; N520-A522 WeakPolarHBondContact OD1-CB 3.16Å; N520-A522 PolarHBondContact OD1-N 3.2Å; N520-D542 HydrophobicContact CB-CB 4.45Å
521	L	98.1	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.			trans	-120.2	19.3	175.8	-60.6	172.2	0	0	0	111.3	L498 L506 L519 N524 L526 L529 D542 L543 N546	L498-L521 HydrophobicContact CB-CD2 4.01Å; L498-L521 HydrophobicContact CD1-CD2 3.87Å; L506-L521 HydrophobicContact CD2-CD1 4.19Å; L506-L521 HydrophobicContact CD2-CD2 4.05Å; L519-L521 HydrophobicContact CD1-CD1 4.4Å; L519-L521 HydrophobicContact CD1-CD2 4.08Å; L519-L521 HydrophobicContact CD1-CG 3.99Å; L519-L521 HydrophobicContact CD2-CD1 3.94Å; L519-L521 HydrophobicContact CD2-CG 4.35Å; L519-L521 HydrophobicContact CG-CD1 4.09Å; L519-L521 HydrophobicContact CG-CG 3.95Å; L521-N524 PolarHBondContact O-ND2 2.84Å; L521-L526 HydrophobicContact CB-CD1 4.06Å; L521-L526 HydrophobicContact CD1-CD1 4.09Å; L521-L526 HydrophobicContact CD2-CD1 4.38Å; L521-L526 HydrophobicContact CG-CD1 4.42Å; L521-L529 HydrophobicContact CD1-CD2 3.7Å; L521-D542 CarbonylContact C-O 3.09Å; L521-D542 WeakPolarHBondContact CA-O 3.09Å; L521-D542 PolarHBondContact N-O 3.07Å; L521-L543 HydrophobicContact CB-CD2 3.98Å; L521-L543 HydrophobicContact CD1-CD2 3.93Å; L521-L543 HydrophobicContact CG-CD2 4.47Å; L521-N546 PolarHBondContact O-ND2 3.43Å
522	A	97.6	Very high	94.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.247	C	C	.	.			trans	-59.6	157.5	-178.7	0	0	0	0	0	112.3	Q499 G500 N520 N524 D542 R544	Q499-A522 CarbonylContact C-O 3.35Å; Q499-A522 WeakPolarHBondContact CA-O 3.46Å; Q499-A522 HydrophobicContact CG-CB 4.07Å; Q499-A522 WeakPolarHBondContact CG-O 3.2Å; G500-A522 PolarHBondContact N-O 3.33Å; N520-A522 VanDerWaalsContact OD1-CB 3.27Å; N520-A522 WeakPolarHBondContact OD1-CB 3.16Å; N520-A522 PolarHBondContact OD1-N 3.2Å; A522-N524 VanDerWaalsContact C-N 3.34Å; A522-N524 PolarHBondContact O-N 3Å; A522-N524 PolarHBondContact O-ND2 3.46Å; A522-N524 VanDerWaalsContact O-ND2 3.1Å; A522-D542 PolarHBondContact N-O 3.35Å; A522-R544 CarbonylContact C-O 3.51Å; A522-R544 WeakPolarHBondContact CA-O 3.32Å; A522-R544 HydrophobicContact CB-CB 4.14Å
523	E	97.5	Very high	94.4	Very high	92 Å²	92	51.8 Å²	51.8	43%	0.43	26%	0.261	S	S	.	.	S	Bend	trans	57.4	45.1	173.8	-59.3	175.2	172.6	0	0	112.9	Q499 G500 R544 N545	Q499-E523 HydrophobicContact CG-CB 4.21Å; Q499-E523 HydrophobicContact CG-CG 4.43Å; Q499-E523 VanDerWaalsContact NE2-CD 3.34Å; Q499-E523 PolarHBondContact NE2-OE2 3.16Å; G500-E523 VanDerWaalsContact CA-O 3.23Å; G500-E523 WeakPolarHBondContact CA-O 3.49Å; G500-E523 PolarHBondContact N-O 3.24Å; E523-R544 PolarHBondContact N-O 2.95Å; E523-N545 WeakPolarHBondContact CA-O 3.43Å; E523-N545 HydrophobicContact CG-CB 4.04Å; E523-N545 PolarHBondContact N-O 2.92Å
524	N	98.1	Very high	93.8	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.048	29%	0.293	C	S	.	.	S	Bend	trans	-120.3	-171.4	174.3	-77.7	-70.3	0	0	0	110.6	L498 N501 G502 L503 L521 A522 L526 N545 N546	L498-N524 PolarHBondContact O-ND2 3.12Å; N501-N524 PolarHBondContact N-OD1 3.38Å; G502-N524 PolarHBondContact N-OD1 2.79Å; L503-N524 HydrophobicContact CB-CB 4.3Å; L503-N524 WeakPolarHBondContact CB-OD1 3.39Å; L503-N524 WeakPolarHBondContact CG-OD1 3.29Å; L503-N524 PolarHBondContact N-OD1 3.18Å; L521-N524 PolarHBondContact O-ND2 2.84Å; A522-N524 VanDerWaalsContact C-N 3.34Å; A522-N524 PolarHBondContact O-N 3Å; A522-N524 PolarHBondContact O-ND2 3.46Å; A522-N524 VanDerWaalsContact O-ND2 3.1Å; N524-L526 HydrophobicContact CB-CD1 4.25Å; N524-L526 HydrophobicContact CB-CG 4.02Å; N524-N545 PolarHBondContact N-O 3.34Å; N524-N545 VanDerWaalsContact O-O 3.1Å; N524-N546 WeakPolarHBondContact CA-OD1 3.26Å; N524-N546 WeakPolarHBondContact CB-OD1 3.47Å; N524-N546 PolarHBondContact O-OD1 3Å
525	R	97.1	Very high	93.4	Very high	172 Å²	172	57 Å²	57	65%	0.649	30%	0.297	S	S	*	.			trans	-117.9	28.9	176.6	-60.3	178.7	-175.8	166.7	3.1	110.9	L503 T504	L503-R525 CarbonylContact O-C 3.47Å; L503-R525 VanDerWaalsContact O-CA 3.24Å; L503-R525 WeakPolarHBondContact O-CA 3.43Å; L503-R525 WeakPolarHBondContact O-CB 3.42Å; L503-R525 PolarHBondContact O-N 3.15Å; T504-R525 HydrophobicContact CG2-CB 4.13Å
526	L	96.3	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.			trans	-73.6	141.6	-177.4	-60.9	170.8	0	0	0	110.1	L503 L506 L521 N524 N546 S547 F548	L503-L526 HydrophobicContact CB-CD2 3.94Å; L503-L526 HydrophobicContact CB-CG 4.35Å; L503-L526 PolarHBondContact O-N 2.88Å; L506-L526 HydrophobicContact CB-CD2 4.28Å; L521-L526 HydrophobicContact CB-CD1 4.06Å; L521-L526 HydrophobicContact CD1-CD1 4.09Å; L521-L526 HydrophobicContact CD2-CD1 4.38Å; L521-L526 HydrophobicContact CG-CD1 4.42Å; N524-L526 HydrophobicContact CB-CD1 4.25Å; N524-L526 HydrophobicContact CB-CG 4.02Å; L526-N546 WeakPolarHBondContact CB-OD1 3.38Å; L526-N546 PolarHBondContact N-OD1 3.3Å; L526-S547 CarbonylContact O-C 3.44Å; L526-S547 VanDerWaalsContact O-CA 3.23Å; L526-S547 WeakPolarHBondContact O-CA 3.36Å; L526-S547 WeakPolarHBondContact O-CB 3.32Å; L526-S547 PolarHBondContact O-N 3.32Å; L526-F548 HydrophobicContact CB-CE2 3.91Å; L526-F548 HydrophobicContact CB-CZ 3.69Å; L526-F548 PolarHBondContact O-N 3.17Å
527	S	94.2	Very high	92.9	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	30%	0.299	S	S	.	.			trans	-119.8	-16.7	178.5	54.2	0	0	0	0	113.5	F548	S527-F548 WeakPolarHBondContact O-CD1 3.47Å
528	H	91.7	Very high	92.8	Very high	110 Å²	110	54 Å²	54	51%	0.509	29%	0.285	S	S	.	.			trans	-150.2	158.5	-178.7	58.6	-79.3	0	0	0	110.1
529	L	90.9	Very high	92.6	Very high	18 Å²	18	50 Å²	50	9%	0.094	27%	0.272	C	S	.	.			trans	-126.9	157.6	174.8	-70.8	174.1	0	0	0	109.6	L521 W532 L543 F548 M556	L521-L529 HydrophobicContact CD1-CD2 3.7Å; L529-W532 HydrophobicContact CB-CH2 4.21Å; L529-W532 HydrophobicContact CB-CZ3 4.07Å; L529-W532 HydrophobicContact CD1-CH2 3.94Å; L529-W532 HydrophobicContact CD1-CZ3 4.12Å; L529-L543 HydrophobicContact CD1-CD1 3.98Å; L529-L543 HydrophobicContact CD1-CD2 3.87Å; L529-F548 HydrophobicContact CD1-CE1 4.25Å; L529-F548 HydrophobicContact CD1-CZ 4.02Å; L529-F548 HydrophobicContact CD2-CZ 4.14Å; L529-F548 HydrophobicContact CG-CE1 3.83Å; L529-F548 HydrophobicContact CG-CZ 3.74Å; L529-M556 HydrophobicContact CD1-CE 4.04Å
530	P	89.5	Confident	92.5	Very high	36 Å²	36	51 Å²	51	23%	0.234	28%	0.279	C	S	.	.			trans	-59.3	153.7	170	26.4	-35.2	0	0	0	111.4	L510 P511	L510-P530 HydrophobicContact CB-CG 4.04Å; L510-P530 HydrophobicContact CD1-CG 4.08Å; L510-P530 HydrophobicContact CG-CG 4.22Å; P511-P530 HydrophobicContact CG-CB 4.42Å
531	A	90	Very high	92.4	Very high	47 Å²	47	49.5 Å²	49.5	39%	0.388	27%	0.27	S	S	.	.			trans	-84.4	122.1	-177	0	0	0	0	0	112.1	P511 T533 A555	P511-A531 WeakPolarHBondContact CG-O 3.48Å; A531-T533 HydrophobicContact CB-CG2 4.49Å; A531-T533 PolarHBondContact O-N 3.21Å; A531-A555 HydrophobicContact CB-CB 4.27Å
532	W	89.9	Confident	92.3	Very high	6 Å²	6	50 Å²	50	2%	0.023	27%	0.273	C	S	.	.			trans	-80.8	93.6	168.5	-68.5	-84.1	0	0	0	110	L510 P511 L529 A555 M556 G558 L559	L510-W532 HydrophobicContact CB-CZ2 3.92Å; L510-W532 HydrophobicContact CD1-CH2 4.23Å; L510-W532 HydrophobicContact CD1-CZ2 3.91Å; P511-W532 HydrophobicContact CG-CG 4.21Å; L529-W532 HydrophobicContact CB-CH2 4.21Å; L529-W532 HydrophobicContact CB-CZ3 4.07Å; L529-W532 HydrophobicContact CD1-CH2 3.94Å; L529-W532 HydrophobicContact CD1-CZ3 4.12Å; W532-A555 PolarHBondContact N-O 2.9Å; W532-M556 HydrophobicContact CE3-SD 4.03Å; W532-M556 HydrophobicContact CZ3-CE 4.19Å; W532-M556 HydrophobicContact CZ3-SD 3.74Å; W532-G558 WeakPolarHBondContact O-CA 3.43Å; W532-G558 PolarHBondContact O-N 2.91Å; W532-L559 HydrophobicContact CB-CD2 4.37Å; W532-L559 HydrophobicContact CB-CG 4.26Å; W532-L559 HydrophobicContact CD2-CD1 3.96Å; W532-L559 HydrophobicContact CD2-CD2 3.85Å; W532-L559 HydrophobicContact CD2-CG 3.97Å; W532-L559 HydrophobicContact CE3-CD1 3.58Å; W532-L559 HydrophobicContact CE3-CD2 4.34Å; W532-L559 HydrophobicContact CE3-CG 4.03Å; W532-L559 HydrophobicContact CG-CD2 3.84Å; W532-L559 HydrophobicContact CG-CG 4.08Å; W532-L559 HydrophobicContact CH2-CD1 4.38Å; W532-L559 HydrophobicContact CZ3-CD1 3.82Å
533	T	81.6	Confident	92.2	Very high	119 Å²	119	50 Å²	50	73%	0.73	27%	0.273	S	S	*	.			trans	-84.8	-15.5	177.8	55.4	0	0	0	0	113.5	A531	A531-T533 HydrophobicContact CB-CG2 4.49Å; A531-T533 PolarHBondContact O-N 3.21Å
534	Q	82.4	Confident	92.1	Very high	150 Å²	150	49.9 Å²	49.9	70%	0.701	27%	0.268	S	S	*	.	S	Bend	trans	-122.1	156	178.8	-60.8	-176.5	14.4	0	0	110.3	V536 G558	Q534-V536 PolarHBondContact O-N 2.96Å; Q534-G558 VanDerWaalsContact O-CA 3.31Å; Q534-G558 WeakPolarHBondContact O-CA 3.03Å
535	A	82.4	Confident	91.9	Very high	80 Å²	80	53.3 Å²	53.3	66%	0.661	29%	0.287	S	S	*	.			trans	-66.3	129.9	176.4	0	0	0	0	0	110.8	G558	A535-G558 WeakPolarHBondContact CA-O 3.23Å
536	V	89.9	Confident	91.9	Very high	18 Å²	18	45.6 Å²	45.6	11%	0.109	26%	0.258	C	S	.	.			trans	-124.6	168.6	178.5	-65.2	0	0	0	0	110.9	Q534 L538 G558 L559 S562	Q534-V536 PolarHBondContact O-N 2.96Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 HydrophobicContact CG2-CB 4.19Å; V536-L538 PolarHBondContact O-N 3.4Å; V536-G558 PolarHBondContact N-O 3.13Å; V536-L559 HydrophobicContact CG2-CD2 3.41Å; V536-L559 VanDerWaalsContact CG2-CD2 3.41Å; V536-S562 WeakPolarHBondContact O-CB 3.39Å; V536-S562 PolarHBondContact O-OG 3.43Å
537	S	92.8	Very high	91.9	Very high	37 Å²	37	48.2 Å²	48.2	26%	0.259	28%	0.277	S	S	.	.			trans	-85.2	11.8	-176.8	61.7	0	0	0	0	115.6	I514 C515 L516 E539	I514-S537 PolarHBondContact O-OG 3.06Å; C515-S537 VanDerWaalsContact C-OG 3.23Å; L516-S537 PolarHBondContact N-OG 3.27Å; L516-S537 CarbonylContact O-C 3.37Å; L516-S537 PolarHBondContact O-OG 3.34Å; S537-E539 PolarHBondContact O-N 2.98Å
538	L	94.8	Very high	91.9	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.26	C	S	.	.			trans	-69.2	120.8	-171.1	-168.7	73.2	0	0	0	111.2	L516 L519 V536 L541 L559 S562 L563	L516-L538 HydrophobicContact CD2-CD1 4.1Å; L516-L538 HydrophobicContact CG-CD1 3.93Å; L516-L538 VanDerWaalsContact O-CA 3.26Å; L516-L538 WeakPolarHBondContact O-CA 3.43Å; L516-L538 PolarHBondContact O-N 2.81Å; L516-L538 VanDerWaalsContact O-N 3.17Å; L519-L538 HydrophobicContact CB-CD1 3.8Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 HydrophobicContact CG2-CB 4.19Å; V536-L538 PolarHBondContact O-N 3.4Å; L538-L541 HydrophobicContact CD2-CB 4.12Å; L538-L541 HydrophobicContact CD2-CD1 4.33Å; L538-L541 HydrophobicContact CD2-CD2 4.43Å; L538-L559 HydrophobicContact CB-CD2 3.99Å; L538-L559 HydrophobicContact CD2-CD2 3.87Å; L538-S562 CarbonylContact O-C 3.32Å; L538-S562 WeakPolarHBondContact O-CB 3.35Å; L538-S562 PolarHBondContact O-OG 3.28Å; L538-L563 WeakPolarHBondContact O-CA 2.93Å; L538-L563 PolarHBondContact O-N 3.32Å
539	E	94.5	Very high	91.8	Very high	63 Å²	63	43.1 Å²	43.1	29%	0.294	25%	0.253	S	S	.	.			trans	-103.1	-36	-177.7	-61	-177.5	-171.1	0	0	112.5	K517 S537 R564 R565	K517-E539 WeakPolarHBondContact O-CA 3.37Å; K517-E539 PolarHBondContact O-N 2.91Å; S537-E539 PolarHBondContact O-N 2.98Å; E539-R564 HydrophobicContact CB-CG 4.46Å; E539-R564 WeakPolarHBondContact O-CA 3.47Å; E539-R564 PolarHBondContact O-N 2.93Å; E539-R565 PolarHBondContact O-N 3.04Å
540	V	95.9	Very high	91.7	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.2	-176.9	-176	0	0	0	0	109.7	K517 R518 L519 R565 Y567	K517-V540 PolarHBondContact O-N 3.04Å; R518-V540 WeakPolarHBondContact CA-O 3.22Å; R518-V540 HydrophobicContact CB-CB 4.38Å; R518-V540 HydrophobicContact CG-CB 4.08Å; R518-V540 HydrophobicContact CG-CG2 4.2Å; L519-V540 PolarHBondContact N-O 3.31Å; V540-R565 WeakPolarHBondContact CA-O 3.36Å; V540-R565 HydrophobicContact CG1-CB 4.39Å; V540-R565 HydrophobicContact CG2-CB 4.4Å; V540-Y567 HydrophobicContact CG1-CD2 4.44Å; V540-Y567 HydrophobicContact CG1-CE2 3.95Å
541	L	95.6	Very high	91.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.5	174.8	-180	55.8	0	0	0	109.8	L519 L538 L543 L559 L563 R565 L566 Y567	L519-L541 HydrophobicContact CB-CD1 4.08Å; L519-L541 HydrophobicContact CD2-CD1 3.86Å; L519-L541 HydrophobicContact CG-CD1 4.02Å; L538-L541 HydrophobicContact CD2-CB 4.12Å; L538-L541 HydrophobicContact CD2-CD1 4.33Å; L538-L541 HydrophobicContact CD2-CD2 4.43Å; L541-L543 HydrophobicContact CD1-CD2 3.87Å; L541-L543 HydrophobicContact CD1-CG 4.12Å; L541-L543 HydrophobicContact CD2-CD1 4.07Å; L541-L543 HydrophobicContact CD2-CG 4.39Å; L541-L543 HydrophobicContact CG-CD1 4.16Å; L541-L543 HydrophobicContact CG-CD2 4.25Å; L541-L543 HydrophobicContact CG-CG 3.94Å; L541-L559 HydrophobicContact CD2-CD1 4.24Å; L541-L563 HydrophobicContact CB-CD1 3.82Å; L541-R565 PolarHBondContact N-O 3.06Å; L541-L566 HydrophobicContact CB-CD1 3.95Å; L541-L566 HydrophobicContact CD2-CD1 3.91Å; L541-L566 HydrophobicContact CG-CD1 3.91Å; L541-L566 WeakPolarHBondContact O-CA 3.37Å; L541-Y567 PolarHBondContact O-N 3.08Å
542	D	96	Very high	91.4	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.059	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.8	177	-167.5	-13.1	0	0	0	111.2	L519 N520 L521 A522 R544 Y567	L519-D542 PolarHBondContact O-N 2.87Å; N520-D542 HydrophobicContact CB-CB 4.45Å; L521-D542 CarbonylContact C-O 3.09Å; L521-D542 WeakPolarHBondContact CA-O 3.09Å; L521-D542 PolarHBondContact N-O 3.07Å; A522-D542 PolarHBondContact N-O 3.35Å; D542-R544 WeakPolarHBondContact OD1-CB 3.14Å; D542-R544 VanDerWaalsContact OD1-CG 3.27Å; D542-R544 WeakPolarHBondContact OD1-CG 3.05Å; D542-R544 IonicContact OD1-CZ 3.06Å; D542-R544 PolarHBondContact OD1-N 3.02Å; D542-R544 IonicContact OD1-NE 2.68Å; D542-R544 PolarHBondContact OD1-NE 3.07Å; D542-R544 IonicContact OD2-CZ 3.16Å; D542-R544 VanDerWaalsContact OD2-CZ 3.24Å; D542-R544 IonicContact OD2-NE 3.66Å; D542-R544 PolarHBondContact OD2-NE 3.38Å; D542-R544 IonicContact OD2-NH2 3.58Å; D542-R544 PolarHBondContact OD2-NH2 3.48Å; D542-Y567 HydrophobicContact CB-CD2 4.08Å; D542-Y567 WeakPolarHBondContact OD1-CB 3.05Å
543	L	95.8	Very high	91	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.271	C	S	.	.			trans	-121.8	19.4	-179.4	-58.2	178.5	0	0	0	111.6	L521 L529 L541 N546 F548 L551 Y567 L568 N571	L521-L543 HydrophobicContact CB-CD2 3.98Å; L521-L543 HydrophobicContact CD1-CD2 3.93Å; L521-L543 HydrophobicContact CG-CD2 4.47Å; L529-L543 HydrophobicContact CD1-CD1 3.98Å; L529-L543 HydrophobicContact CD1-CD2 3.87Å; L541-L543 HydrophobicContact CD1-CD2 3.87Å; L541-L543 HydrophobicContact CD1-CG 4.12Å; L541-L543 HydrophobicContact CD2-CD1 4.07Å; L541-L543 HydrophobicContact CD2-CG 4.39Å; L541-L543 HydrophobicContact CG-CD1 4.16Å; L541-L543 HydrophobicContact CG-CD2 4.25Å; L541-L543 HydrophobicContact CG-CG 3.94Å; L543-N546 PolarHBondContact O-ND2 2.85Å; L543-F548 HydrophobicContact CB-CD2 4.2Å; L543-F548 HydrophobicContact CB-CE2 4.05Å; L543-F548 HydrophobicContact CD1-CD2 4.4Å; L543-F548 HydrophobicContact CD1-CE2 4.14Å; L543-F548 HydrophobicContact CD1-CZ 4.38Å; L543-F548 HydrophobicContact CD2-CE2 3.91Å; L543-F548 HydrophobicContact CD2-CZ 4.18Å; L543-F548 HydrophobicContact CG-CE2 4.25Å; L543-L551 HydrophobicContact CD1-CD2 4.13Å; L543-Y567 WeakPolarHBondContact CA-O 3.25Å; L543-Y567 WeakPolarHBondContact CB-O 3.31Å; L543-Y567 PolarHBondContact N-O 3.19Å; L543-L568 HydrophobicContact CB-CD2 3.96Å; L543-L568 HydrophobicContact CD1-CD2 3.95Å; L543-N571 PolarHBondContact O-ND2 3.31Å
544	R	94.8	Very high	91.2	Very high	90 Å²	90	45.2 Å²	45.2	34%	0.34	27%	0.27	S	S	.	.			trans	-56.9	150.6	-177.6	-72	176.1	-67	165.2	4.7	112.1	A522 E523 D542 N546 Q569	A522-R544 CarbonylContact C-O 3.51Å; A522-R544 WeakPolarHBondContact CA-O 3.32Å; A522-R544 HydrophobicContact CB-CB 4.14Å; E523-R544 PolarHBondContact N-O 2.95Å; D542-R544 WeakPolarHBondContact OD1-CB 3.14Å; D542-R544 VanDerWaalsContact OD1-CG 3.27Å; D542-R544 WeakPolarHBondContact OD1-CG 3.05Å; D542-R544 IonicContact OD1-CZ 3.06Å; D542-R544 PolarHBondContact OD1-N 3.02Å; D542-R544 IonicContact OD1-NE 2.68Å; D542-R544 PolarHBondContact OD1-NE 3.07Å; D542-R544 IonicContact OD2-CZ 3.16Å; D542-R544 VanDerWaalsContact OD2-CZ 3.24Å; D542-R544 IonicContact OD2-NE 3.66Å; D542-R544 PolarHBondContact OD2-NE 3.38Å; D542-R544 IonicContact OD2-NH2 3.58Å; D542-R544 PolarHBondContact OD2-NH2 3.48Å; R544-N546 PolarHBondContact O-N 3.13Å; R544-N546 PolarHBondContact O-ND2 3.39Å; R544-Q569 CarbonylContact C-O 3.58Å; R544-Q569 WeakPolarHBondContact CA-O 3.46Å; R544-Q569 HydrophobicContact CG-CB 4.19Å; R544-Q569 VanDerWaalsContact CG-OE1 3.29Å
545	N	95.1	Very high	91.3	Very high	82 Å²	82	38.6 Å²	38.6	44%	0.439	24%	0.241	S	C	.	.	S	Bend	trans	50.6	59.6	174.4	-59.3	-24.4	0	0	0	112.6	E523 N524 Q569	E523-N545 WeakPolarHBondContact CA-O 3.43Å; E523-N545 HydrophobicContact CG-CB 4.04Å; E523-N545 PolarHBondContact N-O 2.92Å; N524-N545 PolarHBondContact N-O 3.34Å; N524-N545 VanDerWaalsContact O-O 3.1Å; N545-Q569 PolarHBondContact N-O 2.96Å
546	N	96.9	Very high	91.5	Very high	9 Å²	9	35 Å²	35	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-128.8	-167.5	178.9	-92.6	-82.7	0	0	0	111	L521 N524 L526 L543 R544 F548 N571 P572	L521-N546 PolarHBondContact O-ND2 3.43Å; N524-N546 WeakPolarHBondContact CA-OD1 3.26Å; N524-N546 WeakPolarHBondContact CB-OD1 3.47Å; N524-N546 PolarHBondContact O-OD1 3Å; L526-N546 WeakPolarHBondContact CB-OD1 3.38Å; L526-N546 PolarHBondContact N-OD1 3.3Å; L543-N546 PolarHBondContact O-ND2 2.85Å; R544-N546 PolarHBondContact O-N 3.13Å; R544-N546 PolarHBondContact O-ND2 3.39Å; N546-F548 HydrophobicContact CB-CD2 3.53Å; N546-F548 HydrophobicContact CB-CE2 3.72Å; N546-N571 VanDerWaalsContact CA-OD1 3.29Å; N546-N571 WeakPolarHBondContact CA-OD1 3.22Å; N546-N571 WeakPolarHBondContact CB-OD1 3.48Å; N546-N571 PolarHBondContact N-OD1 3.02Å; N546-N571 PolarHBondContact O-OD1 2.99Å; N546-P572 WeakPolarHBondContact O-CD 3.39Å
547	S	96	Very high	91.3	Very high	55 Å²	55	35.6 Å²	35.6	39%	0.385	22%	0.22	S	C	.	.			trans	-112.6	27.7	179.1	-62	0	0	0	0	112.8	L526 S549 N571	L526-S547 CarbonylContact O-C 3.44Å; L526-S547 VanDerWaalsContact O-CA 3.23Å; L526-S547 WeakPolarHBondContact O-CA 3.36Å; L526-S547 WeakPolarHBondContact O-CB 3.32Å; L526-S547 PolarHBondContact O-N 3.32Å; S547-S549 PolarHBondContact O-N 2.93Å; S547-N571 PolarHBondContact N-OD1 2.91Å
548	F	92.9	Very high	90.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	21%	0.212	C	C	.	.			trans	-71.9	122.5	178.5	-69.3	-77.8	0	0	0	111.3	L526 S527 L529 L543 N546 L551 N571 P572	L526-F548 HydrophobicContact CB-CE2 3.91Å; L526-F548 HydrophobicContact CB-CZ 3.69Å; L526-F548 PolarHBondContact O-N 3.17Å; S527-F548 WeakPolarHBondContact O-CD1 3.47Å; L529-F548 HydrophobicContact CD1-CE1 4.25Å; L529-F548 HydrophobicContact CD1-CZ 4.02Å; L529-F548 HydrophobicContact CD2-CZ 4.14Å; L529-F548 HydrophobicContact CG-CE1 3.83Å; L529-F548 HydrophobicContact CG-CZ 3.74Å; L543-F548 HydrophobicContact CB-CD2 4.2Å; L543-F548 HydrophobicContact CB-CE2 4.05Å; L543-F548 HydrophobicContact CD1-CD2 4.4Å; L543-F548 HydrophobicContact CD1-CE2 4.14Å; L543-F548 HydrophobicContact CD1-CZ 4.38Å; L543-F548 HydrophobicContact CD2-CE2 3.91Å; L543-F548 HydrophobicContact CD2-CZ 4.18Å; L543-F548 HydrophobicContact CG-CE2 4.25Å; N546-F548 HydrophobicContact CB-CD2 3.53Å; N546-F548 HydrophobicContact CB-CE2 3.72Å; F548-L551 HydrophobicContact CB-CD1 4.01Å; F548-L551 HydrophobicContact CG-CD1 4.48Å; F548-N571 HydrophobicContact CB-CB 4.36Å; F548-N571 WeakPolarHBondContact CB-OD1 3.49Å; F548-N571 WeakPolarHBondContact CD2-OD1 3.28Å; F548-N571 PolarHBondContact N-OD1 2.86Å; F548-P572 CarbonylContact O-C 3.18Å; F548-P572 WeakPolarHBondContact O-CD 3.3Å
549	S	90.3	Very high	90.5	Very high	53 Å²	53	34 Å²	34	37%	0.371	21%	0.211	S	C	.	.			trans	-100.9	-36.6	170.6	55.3	0	0	0	0	112.2	S547 P572 S574 N578	S547-S549 PolarHBondContact O-N 2.93Å; S549-P572 WeakPolarHBondContact CA-O 3.38Å; S549-S574 PolarHBondContact O-N 3.37Å; S549-N578 PolarHBondContact O-ND2 3.19Å; S549-N578 VanDerWaalsContact O-ND2 3.07Å
550	L	88.9	Confident	90	Very high	82 Å²	82	34.9 Å²	34.9	43%	0.429	22%	0.215	S	C	.	.			trans	-132.5	133.5	-175.6	-63.3	168.6	0	0	0	110.6	P552 G577 N578	L550-P552 WeakPolarHBondContact O-CD 3.09Å; L550-G577 VanDerWaalsContact CD2-CA 3.44Å; L550-N578 VanDerWaalsContact CA-OD1 3.27Å; L550-N578 WeakPolarHBondContact CA-OD1 3.17Å
551	L	88	Confident	89.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	24%	0.244	C	C	.	.			trans	-117.3	82.8	167.4	-77.1	85.4	0	0	0	107.9	L543 F548 M556 L568 L573 N578	L543-L551 HydrophobicContact CD1-CD2 4.13Å; F548-L551 HydrophobicContact CB-CD1 4.01Å; F548-L551 HydrophobicContact CG-CD1 4.48Å; L551-M556 HydrophobicContact CB-CE 4.27Å; L551-M556 HydrophobicContact CB-CG 4.38Å; L551-M556 HydrophobicContact CD2-CE 3.71Å; L551-M556 HydrophobicContact CG-CE 3.92Å; L551-L568 HydrophobicContact CD1-CD2 3.99Å; L551-L568 HydrophobicContact CD2-CD1 4.19Å; L551-L568 HydrophobicContact CD2-CD2 3.89Å; L551-L573 HydrophobicContact CD1-CD2 3.87Å; L551-N578 PolarHBondContact N-OD1 3.14Å
552	P	85.6	Confident	89.3	Confident	55 Å²	55	40.8 Å²	40.8	36%	0.357	25%	0.252	S	S	.	.			trans	-70.9	142.3	-174.9	29.6	-34.4	0	0	0	110.7	L550 S554 A555 M556	L550-P552 WeakPolarHBondContact O-CD 3.09Å; P552-S554 PolarHBondContact O-N 2.82Å; P552-S554 VanDerWaalsContact O-N 3.13Å; P552-A555 HydrophobicContact CG-CB 4Å; P552-A555 PolarHBondContact O-N 3.48Å; P552-M556 PolarHBondContact O-N 2.77Å; P552-M556 VanDerWaalsContact O-N 3.14Å
553	G	81.9	Confident	89	Confident	32 Å²	32	40.6 Å²	40.6	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-25.4	175.2	0	0	0	0	0	113.3	A555 M556 G557	G553-A555 PolarHBondContact O-N 3.34Å; G553-M556 PolarHBondContact O-N 2.93Å; G553-G557 WeakPolarHBondContact O-CA 3.2Å; G553-G557 PolarHBondContact O-N 3.49Å
554	S	84.6	Confident	88.7	Confident	100 Å²	100	48.3 Å²	48.3	70%	0.699	28%	0.28	S	S	*	.	H	α-helix	trans	-62.9	-26.6	173.1	61	0	0	0	0	113.6	P552	P552-S554 PolarHBondContact O-N 2.82Å; P552-S554 VanDerWaalsContact O-N 3.13Å
555	A	85.1	Confident	88.6	Confident	11 Å²	11	50 Å²	50	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-94.1	-33.5	175.7	0	0	0	0	0	112.2	A531 W532 P552 G553	A531-A555 HydrophobicContact CB-CB 4.27Å; W532-A555 PolarHBondContact N-O 2.9Å; P552-A555 HydrophobicContact CG-CB 4Å; P552-A555 PolarHBondContact O-N 3.48Å; G553-A555 PolarHBondContact O-N 3.34Å
556	M	86.8	Confident	88.4	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-98.8	-6.5	-171.2	-59.4	-65.2	173.4	0	0	114.6	L529 W532 L551 P552 G553 G558 L559 W580	L529-M556 HydrophobicContact CD1-CE 4.04Å; W532-M556 HydrophobicContact CE3-SD 4.03Å; W532-M556 HydrophobicContact CZ3-CE 4.19Å; W532-M556 HydrophobicContact CZ3-SD 3.74Å; L551-M556 HydrophobicContact CB-CE 4.27Å; L551-M556 HydrophobicContact CB-CG 4.38Å; L551-M556 HydrophobicContact CD2-CE 3.71Å; L551-M556 HydrophobicContact CG-CE 3.92Å; P552-M556 PolarHBondContact O-N 2.77Å; P552-M556 VanDerWaalsContact O-N 3.14Å; G553-M556 PolarHBondContact O-N 2.93Å; M556-G558 VanDerWaalsContact C-N 3.28Å; M556-G558 PolarHBondContact O-N 2.91Å; M556-L559 WeakPolarHBondContact O-CB 3.3Å; M556-L559 PolarHBondContact O-N 2.77Å; M556-L559 HydrophobicContact SD-CD1 3.71Å; M556-W580 HydrophobicContact CB-CD2 3.84Å; M556-W580 HydrophobicContact CB-CE3 3.9Å; M556-W580 HydrophobicContact CB-CH2 3.66Å; M556-W580 HydrophobicContact CB-CZ2 3.56Å; M556-W580 HydrophobicContact CB-CZ3 3.82Å; M556-W580 HydrophobicContact CG-CD2 4.5Å; M556-W580 HydrophobicContact CG-CE3 4.1Å; M556-W580 HydrophobicContact CG-CH2 4.14Å; M556-W580 HydrophobicContact CG-CZ3 3.91Å
557	G	84.3	Confident	88.1	Confident	30 Å²	30	47.7 Å²	47.7	31%	0.309	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.9	-36.1	-172.4	0	0	0	0	0	114.6	G553 L559 E560	G553-G557 WeakPolarHBondContact O-CA 3.2Å; G553-G557 PolarHBondContact O-N 3.49Å; G557-L559 PolarHBondContact O-N 2.91Å; G557-E560 WeakPolarHBondContact O-CG 3.24Å; G557-E560 PolarHBondContact O-N 2.75Å
558	G	84.6	Confident	87.9	Confident	8 Å²	8	45.1 Å²	45.1	8%	0.082	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.5	-10.4	176.3	0	0	0	0	0	115.4	W532 Q534 A535 V536 M556	W532-G558 WeakPolarHBondContact O-CA 3.43Å; W532-G558 PolarHBondContact O-N 2.91Å; Q534-G558 VanDerWaalsContact O-CA 3.31Å; Q534-G558 WeakPolarHBondContact O-CA 3.03Å; A535-G558 WeakPolarHBondContact CA-O 3.23Å; V536-G558 PolarHBondContact N-O 3.13Å; M556-G558 VanDerWaalsContact C-N 3.28Å; M556-G558 PolarHBondContact O-N 2.91Å
559	L	86.6	Confident	87.7	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-96.3	-11.6	-179.7	-54.1	175.6	0	0	0	113	W532 V536 L538 L541 M556 G557 T561 S562 L563	W532-L559 HydrophobicContact CB-CD2 4.37Å; W532-L559 HydrophobicContact CB-CG 4.26Å; W532-L559 HydrophobicContact CD2-CD1 3.96Å; W532-L559 HydrophobicContact CD2-CD2 3.85Å; W532-L559 HydrophobicContact CD2-CG 3.97Å; W532-L559 HydrophobicContact CE3-CD1 3.58Å; W532-L559 HydrophobicContact CE3-CD2 4.34Å; W532-L559 HydrophobicContact CE3-CG 4.03Å; W532-L559 HydrophobicContact CG-CD2 3.84Å; W532-L559 HydrophobicContact CG-CG 4.08Å; W532-L559 HydrophobicContact CH2-CD1 4.38Å; W532-L559 HydrophobicContact CZ3-CD1 3.82Å; V536-L559 HydrophobicContact CG2-CD2 3.41Å; V536-L559 VanDerWaalsContact CG2-CD2 3.41Å; L538-L559 HydrophobicContact CB-CD2 3.99Å; L538-L559 HydrophobicContact CD2-CD2 3.87Å; L541-L559 HydrophobicContact CD2-CD1 4.24Å; M556-L559 WeakPolarHBondContact O-CB 3.3Å; M556-L559 PolarHBondContact O-N 2.77Å; M556-L559 HydrophobicContact SD-CD1 3.71Å; G557-L559 PolarHBondContact O-N 2.91Å; L559-T561 PolarHBondContact O-N 3.23Å; L559-T561 VanDerWaalsContact O-N 3.11Å; L559-S562 PolarHBondContact O-N 3.2Å; L559-L563 HydrophobicContact CB-CB 4.39Å; L559-L563 VanDerWaalsContact O-CB 3.25Å; L559-L563 WeakPolarHBondContact O-CB 3.22Å; L559-L563 PolarHBondContact O-N 2.99Å
560	E	84.7	Confident	87.6	Confident	81 Å²	81	46 Å²	46	38%	0.379	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.4	-167.7	-74.3	-178.3	-177.9	0	0	114.5	G557 W580	G557-E560 WeakPolarHBondContact O-CG 3.24Å; G557-E560 PolarHBondContact O-N 2.75Å; E560-W580 HydrophobicContact CG-CZ2 4.32Å; E560-W580 PolarHBondContact OE1-NE1 3.07Å
561	T	85.6	Confident	87.7	Confident	125 Å²	125	42.9 Å²	42.9	77%	0.767	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-22.9	-175.4	54.3	0	0	0	0	114.3	L559	L559-T561 PolarHBondContact O-N 3.23Å; L559-T561 VanDerWaalsContact O-N 3.11Å
562	S	90.8	Very high	87.9	Confident	24 Å²	24	45.4 Å²	45.4	17%	0.168	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-30.2	-171.7	45.9	0	0	0	0	113.4	V536 L538 L559 R564	V536-S562 WeakPolarHBondContact O-CB 3.39Å; V536-S562 PolarHBondContact O-OG 3.43Å; L538-S562 CarbonylContact O-C 3.32Å; L538-S562 WeakPolarHBondContact O-CB 3.35Å; L538-S562 PolarHBondContact O-OG 3.28Å; L559-S562 PolarHBondContact O-N 3.2Å; S562-R564 PolarHBondContact O-N 3.09Å
563	L	90.4	Very high	88.1	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	25%	0.25	C	S	.	.			trans	-65.8	126.9	-175.5	-165.2	68.3	0	0	0	110.8	L538 L541 L559 L566 W580 V590	L538-L563 WeakPolarHBondContact O-CA 2.93Å; L538-L563 PolarHBondContact O-N 3.32Å; L541-L563 HydrophobicContact CB-CD1 3.82Å; L559-L563 HydrophobicContact CB-CB 4.39Å; L559-L563 VanDerWaalsContact O-CB 3.25Å; L559-L563 WeakPolarHBondContact O-CB 3.22Å; L559-L563 PolarHBondContact O-N 2.99Å; L563-L566 HydrophobicContact CD2-CB 4.11Å; L563-L566 HydrophobicContact CD2-CD1 4.48Å; L563-L566 HydrophobicContact CD2-CD2 4.32Å; L563-W580 HydrophobicContact CD2-CH2 4.49Å; L563-V590 HydrophobicContact CB-CG2 4.17Å; L563-V590 HydrophobicContact CD2-CG1 4.37Å; L563-V590 HydrophobicContact CD2-CG2 4.16Å; L563-V590 HydrophobicContact CG-CG1 4.45Å; L563-V590 HydrophobicContact CG-CG2 4.16Å; L563-V590 WeakPolarHBondContact O-CG2 3.4Å
564	R	89.8	Confident	88.3	Confident	162 Å²	162	43.3 Å²	43.3	61%	0.611	25%	0.248	S	C	*	.			trans	-110.1	-37.7	178.9	-61.9	179.7	-178.2	-107.9	2.3	111.9	E539 S562 D591	E539-R564 HydrophobicContact CB-CG 4.46Å; E539-R564 WeakPolarHBondContact O-CA 3.47Å; E539-R564 PolarHBondContact O-N 2.93Å; S562-R564 PolarHBondContact O-N 3.09Å; R564-D591 PolarHBondContact O-N 3.01Å
565	R	90.9	Very high	88.2	Confident	125 Å²	125	39 Å²	39	47%	0.472	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.2	179.8	-59.6	-174.4	-158	155.1	5.6	111.6	E539 V540 L541 Y567 D591	E539-R565 PolarHBondContact O-N 3.04Å; V540-R565 WeakPolarHBondContact CA-O 3.36Å; V540-R565 HydrophobicContact CG1-CB 4.39Å; V540-R565 HydrophobicContact CG2-CB 4.4Å; L541-R565 PolarHBondContact N-O 3.06Å; R565-Y567 HydrophobicContact CB-CE2 4.05Å; R565-D591 WeakPolarHBondContact CA-O 3.37Å; R565-D591 HydrophobicContact CG-CB 4.39Å
566	L	91.2	Very high	87.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.1	177.9	177.9	60.4	0	0	0	109.8	L541 L563 L568 W580 L581 V590 D591 V592	L541-L566 HydrophobicContact CB-CD1 3.95Å; L541-L566 HydrophobicContact CD2-CD1 3.91Å; L541-L566 HydrophobicContact CG-CD1 3.91Å; L541-L566 WeakPolarHBondContact O-CA 3.37Å; L563-L566 HydrophobicContact CD2-CB 4.11Å; L563-L566 HydrophobicContact CD2-CD1 4.48Å; L563-L566 HydrophobicContact CD2-CD2 4.32Å; L566-L568 HydrophobicContact CD1-CD1 4.37Å; L566-L568 HydrophobicContact CD1-CG 4.19Å; L566-L568 HydrophobicContact CD2-CD1 3.7Å; L566-L568 HydrophobicContact CD2-CG 4.39Å; L566-L568 HydrophobicContact CG-CD1 3.84Å; L566-L568 HydrophobicContact CG-CG 4Å; L566-W580 HydrophobicContact CD2-CH2 4.48Å; L566-W580 HydrophobicContact CD2-CZ3 4.34Å; L566-L581 HydrophobicContact CD2-CD1 3.83Å; L566-V590 HydrophobicContact CB-CG1 3.46Å; L566-V590 VanDerWaalsContact CB-CG1 3.46Å; L566-D591 PolarHBondContact N-O 3.41Å; L566-V592 HydrophobicContact CB-CG2 4.27Å; L566-V592 WeakPolarHBondContact O-CA 3.29Å; L566-V592 VanDerWaalsContact O-CG1 3.28Å; L566-V592 WeakPolarHBondContact O-CG1 3.21Å
567	Y	91.6	Very high	87.1	Confident	41 Å²	41	43 Å²	43	16%	0.161	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.6	177.2	-55.3	-94.1	0	0	0	109.9	V540 L541 D542 L543 R565 D593	V540-Y567 HydrophobicContact CG1-CD2 4.44Å; V540-Y567 HydrophobicContact CG1-CE2 3.95Å; L541-Y567 PolarHBondContact O-N 3.08Å; D542-Y567 HydrophobicContact CB-CD2 4.08Å; D542-Y567 WeakPolarHBondContact OD1-CB 3.05Å; L543-Y567 WeakPolarHBondContact CA-O 3.25Å; L543-Y567 WeakPolarHBondContact CB-O 3.31Å; L543-Y567 PolarHBondContact N-O 3.19Å; R565-Y567 HydrophobicContact CB-CE2 4.05Å; Y567-D593 HydrophobicContact CD1-CB 3.88Å; Y567-D593 HydrophobicContact CE1-CB 3.64Å
568	L	90.9	Very high	86.7	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.237	C	C	.	.			trans	-139.3	2.2	-170.6	-83.8	171.2	0	0	0	113.8	L543 L551 L566 N571 L581 L598	L543-L568 HydrophobicContact CB-CD2 3.96Å; L543-L568 HydrophobicContact CD1-CD2 3.95Å; L551-L568 HydrophobicContact CD1-CD2 3.99Å; L551-L568 HydrophobicContact CD2-CD1 4.19Å; L551-L568 HydrophobicContact CD2-CD2 3.89Å; L566-L568 HydrophobicContact CD1-CD1 4.37Å; L566-L568 HydrophobicContact CD1-CG 4.19Å; L566-L568 HydrophobicContact CD2-CD1 3.7Å; L566-L568 HydrophobicContact CD2-CG 4.39Å; L566-L568 HydrophobicContact CG-CD1 3.84Å; L566-L568 HydrophobicContact CG-CG 4Å; L568-N571 WeakPolarHBondContact O-CB 3.11Å; L568-N571 PolarHBondContact O-ND2 3.16Å; L568-L581 HydrophobicContact CD1-CD1 3.64Å; L568-L581 HydrophobicContact CD1-CD2 3.75Å; L568-L581 HydrophobicContact CD1-CG 4.37Å; L568-L598 HydrophobicContact CB-CD2 3.61Å
569	Q	89.2	Confident	86.3	Confident	20 Å²	20	44 Å²	44	9%	0.093	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	145.1	-178.4	-60.1	84.7	-14.5	0	0	111.2	R544 N545	R544-Q569 CarbonylContact C-O 3.58Å; R544-Q569 WeakPolarHBondContact CA-O 3.46Å; R544-Q569 HydrophobicContact CG-CB 4.19Å; R544-Q569 VanDerWaalsContact CG-OE1 3.29Å; N545-Q569 PolarHBondContact N-O 2.96Å
570	G	89	Confident	86.1	Confident	55 Å²	55	45.1 Å²	45.1	57%	0.567	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	21.3	179.9	0	0	0	0	0	115.2
571	N	91.1	Very high	86	Confident	15 Å²	15	41.4 Å²	41.4	8%	0.08	25%	0.246	C	C	.	.			trans	-106.5	146.8	173.1	-78	-79.4	0	0	0	112.4	L543 N546 S547 F548 L568 L573	L543-N571 PolarHBondContact O-ND2 3.31Å; N546-N571 VanDerWaalsContact CA-OD1 3.29Å; N546-N571 WeakPolarHBondContact CA-OD1 3.22Å; N546-N571 WeakPolarHBondContact CB-OD1 3.48Å; N546-N571 PolarHBondContact N-OD1 3.02Å; N546-N571 PolarHBondContact O-OD1 2.99Å; S547-N571 PolarHBondContact N-OD1 2.91Å; F548-N571 HydrophobicContact CB-CB 4.36Å; F548-N571 WeakPolarHBondContact CB-OD1 3.49Å; F548-N571 WeakPolarHBondContact CD2-OD1 3.28Å; F548-N571 PolarHBondContact N-OD1 2.86Å; L568-N571 WeakPolarHBondContact O-CB 3.11Å; L568-N571 PolarHBondContact O-ND2 3.16Å; N571-L573 HydrophobicContact CB-CD2 4.07Å; N571-L573 HydrophobicContact CB-CG 3.99Å; N571-L573 PolarHBondContact O-N 3.44Å
572	P	90.6	Very high	85.6	Confident	55 Å²	55	37.1 Å²	37.1	36%	0.357	22%	0.224	S	C	.	.			trans	-79	58.8	175.6	35	-37.3	0	0	0	112.3	N546 F548 S549	N546-P572 WeakPolarHBondContact O-CD 3.39Å; F548-P572 CarbonylContact O-C 3.18Å; F548-P572 WeakPolarHBondContact O-CD 3.3Å; S549-P572 WeakPolarHBondContact CA-O 3.38Å
573	L	89.6	Confident	84.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136.5	-174.4	-63.2	174.5	0	0	0	112.4	L551 N571 L581 L598 C600 R601	L551-L573 HydrophobicContact CD1-CD2 3.87Å; N571-L573 HydrophobicContact CB-CD2 4.07Å; N571-L573 HydrophobicContact CB-CG 3.99Å; N571-L573 PolarHBondContact O-N 3.44Å; L573-L581 HydrophobicContact CD1-CD2 4.36Å; L573-L598 HydrophobicContact CD1-CD2 3.82Å; L573-C600 HydrophobicContact CB-CB 4.18Å; L573-C600 CarbonylContact O-C 3.47Å; L573-C600 VanDerWaalsContact O-CA 3.25Å; L573-C600 WeakPolarHBondContact O-CA 3.35Å; L573-C600 WeakPolarHBondContact O-CB 3.35Å; L573-R601 PolarHBondContact O-N 2.81Å
574	S	87.8	Confident	84.3	Confident	40 Å²	40	38.2 Å²	38.2	28%	0.28	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.3	170.7	-176.4	0	0	0	0	111	S549 C576 N578	S549-S574 PolarHBondContact O-N 3.37Å; S574-C576 VanDerWaalsContact C-N 3.26Å; S574-C576 PolarHBondContact O-N 2.97Å; S574-N578 PolarHBondContact N-ND2 3.09Å; S574-N578 PolarHBondContact O-ND2 2.99Å
575	C	81.3	Confident	83.7	Confident	10 Å²	10	33.3 Å²	33.3	7%	0.068	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.1	-179.3	-61.3	0	0	0	0	113.4	C600 R601 F602 V613	C575-C600 WeakPolarHBondContact CA-SG 3.28Å; C575-C600 HydrophobicContact CB-CB 3.99Å; C575-C600 WeakPolarHBondContact CB-SG 3.43Å; C575-C600 WeakPolarHBondContact SG-CB 3.36Å; C575-C600 CovalentContact SG-SG 2.04Å; C575-C600 PolarHBondContact SG-SG 3.2Å; C575-R601 PolarHBondContact N-O 2.99Å; C575-R601 VanDerWaalsContact N-O 3.13Å; C575-R601 PolarHBondContact SG-N 3.1Å; C575-R601 VanDerWaalsContact SG-N 3.41Å; C575-F602 HydrophobicContact CB-CD1 3.89Å; C575-F602 HydrophobicContact CB-CD2 4.27Å; C575-F602 HydrophobicContact CB-CE1 3.68Å; C575-F602 HydrophobicContact CB-CE2 4.07Å; C575-F602 HydrophobicContact CB-CG 4.19Å; C575-F602 HydrophobicContact CB-CZ 3.78Å; C575-V613 HydrophobicContact CB-CG1 4.34Å; C575-V613 HydrophobicContact CB-CG2 4.27Å
576	C	76.3	Confident	82.7	Confident	64 Å²	64	34.6 Å²	34.6	43%	0.432	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.6	-169	-63.3	0	0	0	0	115.4	S574 F602 C618	S574-C576 VanDerWaalsContact C-N 3.26Å; S574-C576 PolarHBondContact O-N 2.97Å; C576-F602 VanDerWaalsContact SG-CE1 3.58Å; C576-C618 WeakPolarHBondContact CA-SG 3.28Å; C576-C618 HydrophobicContact CB-CB 3.66Å; C576-C618 WeakPolarHBondContact CB-SG 3.09Å; C576-C618 WeakPolarHBondContact SG-CA 3.35Å; C576-C618 WeakPolarHBondContact SG-CB 3.26Å; C576-C618 CovalentContact SG-SG 2.05Å; C576-C618 PolarHBondContact SG-SG 3.38Å
577	G	74	Confident	81.8	Confident	35 Å²	35	39.6 Å²	39.6	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-0.7	178.3	0	0	0	0	0	114.7	L550	L550-G577 VanDerWaalsContact CD2-CA 3.44Å
578	N	75.6	Confident	80.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.027	28%	0.278	C	S	.	.			trans	-108	44.1	-172.4	-73.6	-42.7	0	0	0	112.8	S549 L550 L551 S574 W580 L581 A582	S549-N578 PolarHBondContact O-ND2 3.19Å; S549-N578 VanDerWaalsContact O-ND2 3.07Å; L550-N578 VanDerWaalsContact CA-OD1 3.27Å; L550-N578 WeakPolarHBondContact CA-OD1 3.17Å; L551-N578 PolarHBondContact N-OD1 3.14Å; S574-N578 PolarHBondContact N-ND2 3.09Å; S574-N578 PolarHBondContact O-ND2 2.99Å; N578-W580 VanDerWaalsContact C-N 3.26Å; N578-W580 PolarHBondContact O-N 2.75Å; N578-L581 HydrophobicContact CB-CB 4.13Å; N578-L581 HydrophobicContact CB-CD2 4.4Å; N578-L581 PolarHBondContact O-N 3.4Å; N578-L581 VanDerWaalsContact O-N 3.11Å; N578-A582 PolarHBondContact O-N 2.8Å
579	G	76.4	Confident	79.4	Confident	54 Å²	54	48.3 Å²	48.3	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-58.1	-35.2	-176.3	0	0	0	0	0	114.1	A583	G579-A583 WeakPolarHBondContact O-CB 3.39Å; G579-A583 PolarHBondContact O-N 3.07Å
580	W	82.1	Confident	78.5	Confident	25 Å²	25	47.7 Å²	47.7	10%	0.095	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-48.6	173.8	175.2	85.1	0	0	0	112.3	M556 E560 L563 L566 N578 A582 A583 Q584	M556-W580 HydrophobicContact CB-CD2 3.84Å; M556-W580 HydrophobicContact CB-CE3 3.9Å; M556-W580 HydrophobicContact CB-CH2 3.66Å; M556-W580 HydrophobicContact CB-CZ2 3.56Å; M556-W580 HydrophobicContact CB-CZ3 3.82Å; M556-W580 HydrophobicContact CG-CD2 4.5Å; M556-W580 HydrophobicContact CG-CE3 4.1Å; M556-W580 HydrophobicContact CG-CH2 4.14Å; M556-W580 HydrophobicContact CG-CZ3 3.91Å; E560-W580 HydrophobicContact CG-CZ2 4.32Å; E560-W580 PolarHBondContact OE1-NE1 3.07Å; L563-W580 HydrophobicContact CD2-CH2 4.49Å; L566-W580 HydrophobicContact CD2-CH2 4.48Å; L566-W580 HydrophobicContact CD2-CZ3 4.34Å; N578-W580 VanDerWaalsContact C-N 3.26Å; N578-W580 PolarHBondContact O-N 2.75Å; W580-A582 VanDerWaalsContact C-N 3.34Å; W580-A582 PolarHBondContact O-N 2.85Å; W580-A583 WeakPolarHBondContact O-CB 3.38Å; W580-A583 PolarHBondContact O-N 3.05Å; W580-Q584 PolarHBondContact O-N 3.32Å
581	L	81.6	Confident	77.7	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-42.5	179.5	179	62.9	0	0	0	111.3	L566 L568 L573 N578 Q584 L585 L610	L566-L581 HydrophobicContact CD2-CD1 3.83Å; L568-L581 HydrophobicContact CD1-CD1 3.64Å; L568-L581 HydrophobicContact CD1-CD2 3.75Å; L568-L581 HydrophobicContact CD1-CG 4.37Å; L573-L581 HydrophobicContact CD1-CD2 4.36Å; N578-L581 HydrophobicContact CB-CB 4.13Å; N578-L581 HydrophobicContact CB-CD2 4.4Å; N578-L581 PolarHBondContact O-N 3.4Å; N578-L581 VanDerWaalsContact O-N 3.11Å; L581-Q584 PolarHBondContact O-N 3.15Å; L581-L585 HydrophobicContact CG-CD1 4.28Å; L581-L585 WeakPolarHBondContact O-CG 3.4Å; L581-L585 PolarHBondContact O-N 3.15Å; L581-L610 HydrophobicContact CD2-CD2 3.86Å; L581-L610 HydrophobicContact CG-CD2 4.27Å
582	A	76.9	Confident	76.6	Confident	36 Å²	36	50 Å²	50	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.3	0	0	0	0	0	111.6	N578 W580 Q584 L585 H586	N578-A582 PolarHBondContact O-N 2.8Å; W580-A582 VanDerWaalsContact C-N 3.34Å; W580-A582 PolarHBondContact O-N 2.85Å; A582-Q584 VanDerWaalsContact C-N 3.33Å; A582-Q584 PolarHBondContact O-N 3.26Å; A582-L585 PolarHBondContact O-N 3.17Å; A582-H586 PolarHBondContact O-CD2 3.31Å; A582-H586 PolarHBondContact O-N 2.86Å
583	A	77.2	Confident	75.2	Confident	44 Å²	44	49.9 Å²	49.9	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.6	0	0	0	0	0	112.3	G579 W580 H586 Q587	G579-A583 WeakPolarHBondContact O-CB 3.39Å; G579-A583 PolarHBondContact O-N 3.07Å; W580-A583 WeakPolarHBondContact O-CB 3.38Å; W580-A583 PolarHBondContact O-N 3.05Å; A583-H586 PolarHBondContact O-N 3.1Å; A583-Q587 WeakPolarHBondContact O-CG 3.48Å; A583-Q587 PolarHBondContact O-N 3.23Å; A583-Q587 VanDerWaalsContact O-N 3.12Å
584	Q	78.1	Confident	73.4	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-37.6	-179.4	-160	68.2	-3.7	0	0	112.7	W580 L581 A582 G588 V590	W580-Q584 PolarHBondContact O-N 3.32Å; L581-Q584 PolarHBondContact O-N 3.15Å; A582-Q584 VanDerWaalsContact C-N 3.33Å; A582-Q584 PolarHBondContact O-N 3.26Å; Q584-G588 PolarHBondContact O-N 3.21Å; Q584-V590 HydrophobicContact CG-CB 3.87Å; Q584-V590 HydrophobicContact CG-CG2 3.5Å; Q584-V590 VanDerWaalsContact CG-CG2 3.5Å; Q584-V590 VanDerWaalsContact NE2-CG2 3.25Å
585	L	75.4	Confident	71.5	Confident	59 Å²	59	57.7 Å²	57.7	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-46.7	173.9	-75.1	169.1	0	0	0	111.8	L581 A582 Q587 G588 V592 L598 L610	L581-L585 HydrophobicContact CG-CD1 4.28Å; L581-L585 WeakPolarHBondContact O-CG 3.4Å; L581-L585 PolarHBondContact O-N 3.15Å; A582-L585 PolarHBondContact O-N 3.17Å; L585-Q587 VanDerWaalsContact C-N 3.31Å; L585-Q587 PolarHBondContact O-N 3.04Å; L585-G588 PolarHBondContact O-N 3.23Å; L585-V592 HydrophobicContact CD2-CB 3.9Å; L585-V592 HydrophobicContact CD2-CG2 3.5Å; L585-L598 HydrophobicContact CD1-CD1 4.32Å; L585-L610 HydrophobicContact CD1-CD2 3.76Å; L585-L610 HydrophobicContact CD1-CG 4.49Å
586	H	71.4	Confident	70.4	Confident	152 Å²	152	63.7 Å²	63.7	70%	0.704	38%	0.383	S	S	*	.	H	α-helix	trans	-64.6	-32.5	179.5	-81.9	-66.1	0	0	0	113.5	A582 A583 G588	A582-H586 PolarHBondContact O-CD2 3.31Å; A582-H586 PolarHBondContact O-N 2.86Å; A583-H586 PolarHBondContact O-N 3.1Å; H586-G588 VanDerWaalsContact C-N 3.27Å; H586-G588 PolarHBondContact O-N 2.61Å
587	Q	71.7	Confident	70	Confident	107 Å²	107	65.5 Å²	65.5	50%	0.5	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.9	178	-71.2	178.8	16.9	0	0	113.5	A583 L585 R589	A583-Q587 WeakPolarHBondContact O-CG 3.48Å; A583-Q587 PolarHBondContact O-N 3.23Å; A583-Q587 VanDerWaalsContact O-N 3.12Å; L585-Q587 VanDerWaalsContact C-N 3.31Å; L585-Q587 PolarHBondContact O-N 3.04Å; Q587-R589 HydrophobicContact CB-CG 4.09Å; Q587-R589 PolarHBondContact O-N 2.69Å
588	G	63.5	Low	70.1	Confident	65 Å²	65	64.6 Å²	64.6	67%	0.67	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	21.1	-178.8	0	0	0	0	0	114.1	Q584 L585 H586	Q584-G588 PolarHBondContact O-N 3.21Å; L585-G588 PolarHBondContact O-N 3.23Å; H586-G588 VanDerWaalsContact C-N 3.27Å; H586-G588 PolarHBondContact O-N 2.61Å
589	R	67.9	Low	70.5	Confident	160 Å²	160	68.5 Å²	68.5	60%	0.604	40%	0.395	S	S	*	.			trans	-82.5	-26.3	-176.9	-76.1	-176.7	177.5	-179.7	0.3	113.4	Q587	Q587-R589 HydrophobicContact CB-CG 4.09Å; Q587-R589 PolarHBondContact O-N 2.69Å
590	V	71.3	Confident	70.8	Confident	8 Å²	8	66 Å²	66	5%	0.048	37%	0.369	C	S	.	.	S	Bend	trans	-121.1	124.1	179.1	174.1	0	0	0	0	107.9	L563 L566 Q584 V592	L563-V590 HydrophobicContact CB-CG2 4.17Å; L563-V590 HydrophobicContact CD2-CG1 4.37Å; L563-V590 HydrophobicContact CD2-CG2 4.16Å; L563-V590 HydrophobicContact CG-CG1 4.45Å; L563-V590 HydrophobicContact CG-CG2 4.16Å; L563-V590 WeakPolarHBondContact O-CG2 3.4Å; L566-V590 HydrophobicContact CB-CG1 3.46Å; L566-V590 VanDerWaalsContact CB-CG1 3.46Å; Q584-V590 HydrophobicContact CG-CB 3.87Å; Q584-V590 HydrophobicContact CG-CG2 3.5Å; Q584-V590 VanDerWaalsContact CG-CG2 3.5Å; Q584-V590 VanDerWaalsContact NE2-CG2 3.25Å; V590-V592 HydrophobicContact CG1-CG2 4.21Å; V590-V592 PolarHBondContact O-N 3.17Å
591	D	72.4	Confident	70.8	Confident	98 Å²	98	70.7 Å²	70.7	52%	0.524	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-77.4	109.7	172.9	-168.7	8.9	0	0	0	108.2	R564 R565 L566	R564-D591 PolarHBondContact O-N 3.01Å; R565-D591 WeakPolarHBondContact CA-O 3.37Å; R565-D591 HydrophobicContact CG-CB 4.39Å; L566-D591 PolarHBondContact N-O 3.41Å
592	V	67.6	Low	70.5	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.115	40%	0.395	C	S	.	.			trans	-99.5	109.6	168.7	-176	0	0	0	0	105.6	L566 L585 V590 A594 L598	L566-V592 HydrophobicContact CB-CG2 4.27Å; L566-V592 WeakPolarHBondContact O-CA 3.29Å; L566-V592 VanDerWaalsContact O-CG1 3.28Å; L566-V592 WeakPolarHBondContact O-CG1 3.21Å; L585-V592 HydrophobicContact CD2-CB 3.9Å; L585-V592 HydrophobicContact CD2-CG2 3.5Å; V590-V592 HydrophobicContact CG1-CG2 4.21Å; V590-V592 PolarHBondContact O-N 3.17Å; V592-A594 PolarHBondContact O-N 3.07Å; V592-L598 HydrophobicContact CB-CD1 4.3Å; V592-L598 HydrophobicContact CG1-CD1 3.43Å; V592-L598 VanDerWaalsContact CG1-CD1 3.43Å; V592-L598 HydrophobicContact CG1-CG 4.16Å
593	D	60.6	Low	69.9	Low	53 Å²	53	76.8 Å²	76.8	28%	0.283	42%	0.422	S	S	.	.			trans	-34.6	108.6	-171.8	-173.8	-13.1	0	0	0	112.7	Y567 T595	Y567-D593 HydrophobicContact CD1-CB 3.88Å; Y567-D593 HydrophobicContact CE1-CB 3.64Å; D593-T595 PolarHBondContact O-N 3.01Å; D593-T595 VanDerWaalsContact O-N 3.13Å; D593-T595 WeakPolarHBondContact OD1-CG2 3.21Å; D593-T595 PolarHBondContact OD1-N 3.22Å; D593-T595 PolarHBondContact OD1-OG1 2.8Å
594	A	51.5	Low	69.1	Low	93 Å²	93	78.4 Å²	78.4	77%	0.769	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	5.2	-169.1	0	0	0	0	0	114.2	V592 Q596	V592-A594 PolarHBondContact O-N 3.07Å; A594-Q596 VanDerWaalsContact C-N 3.32Å
595	T	48.6	Very low	68.3	Low	114 Å²	114	86.2 Å²	86.2	70%	0.699	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.6	-179	54.6	0	0	0	0	113.3	D593	D593-T595 PolarHBondContact O-N 3.01Å; D593-T595 VanDerWaalsContact O-N 3.13Å; D593-T595 WeakPolarHBondContact OD1-CG2 3.21Å; D593-T595 PolarHBondContact OD1-N 3.22Å; D593-T595 PolarHBondContact OD1-OG1 2.8Å
596	Q	59.2	Low	68.1	Low	135 Å²	135	89.7 Å²	89.7	63%	0.631	48%	0.483	S	S	*	.	S	Bend	trans	-144	133.1	175.3	-66.9	-177.8	-8.3	0	0	111.6	A594 L598	A594-Q596 VanDerWaalsContact C-N 3.32Å; Q596-L598 PolarHBondContact O-N 3.26Å
597	D	66.4	Low	68.4	Low	102 Å²	102	87.8 Å²	87.8	55%	0.545	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-61.5	129.7	175.2	-91.2	4.3	0	0	0	111.3	I599 S609	D597-I599 PolarHBondContact O-N 3.27Å; D597-S609 WeakPolarHBondContact CB-OG 3.28Å; D597-S609 WeakPolarHBondContact OD2-CB 3.48Å; D597-S609 PolarHBondContact OD2-OG 2.94Å
598	L	77.4	Confident	68.7	Low	17 Å²	17	84.9 Å²	84.9	9%	0.089	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-65.8	122	170.2	-87.9	159.5	0	0	0	109.9	L568 L573 L585 V592 Q596 S609 L610	L568-L598 HydrophobicContact CB-CD2 3.61Å; L573-L598 HydrophobicContact CD1-CD2 3.82Å; L585-L598 HydrophobicContact CD1-CD1 4.32Å; V592-L598 HydrophobicContact CB-CD1 4.3Å; V592-L598 HydrophobicContact CG1-CD1 3.43Å; V592-L598 VanDerWaalsContact CG1-CD1 3.43Å; V592-L598 HydrophobicContact CG1-CG 4.16Å; Q596-L598 PolarHBondContact O-N 3.26Å; L598-S609 CarbonylContact O-C 3.42Å; L598-S609 WeakPolarHBondContact O-CA 3.39Å; L598-L610 HydrophobicContact CB-CB 4.06Å; L598-L610 HydrophobicContact CB-CD2 4.44Å; L598-L610 HydrophobicContact CD1-CD2 4.44Å; L598-L610 WeakPolarHBondContact O-CB 3.38Å; L598-L610 PolarHBondContact O-N 3.08Å
599	I	82.7	Confident	69.3	Low	87 Å²	87	82.7 Å²	82.7	45%	0.446	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137	178.5	-59.5	166.4	0	0	0	109.5	D597 E607 V608	D597-I599 PolarHBondContact O-N 3.27Å; I599-E607 HydrophobicContact CG2-CB 3.72Å; I599-E607 HydrophobicContact CG2-CG 3.98Å; I599-V608 WeakPolarHBondContact CA-O 3.27Å
600	C	83.1	Confident	69.6	Low	1 Å²	1	75.8 Å²	75.8	1%	0.007	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.8	171.1	71.8	0	0	0	0	110.8	L573 C575 E607 V608 L610	L573-C600 HydrophobicContact CB-CB 4.18Å; L573-C600 CarbonylContact O-C 3.47Å; L573-C600 VanDerWaalsContact O-CA 3.25Å; L573-C600 WeakPolarHBondContact O-CA 3.35Å; L573-C600 WeakPolarHBondContact O-CB 3.35Å; C575-C600 WeakPolarHBondContact CA-SG 3.28Å; C575-C600 HydrophobicContact CB-CB 3.99Å; C575-C600 WeakPolarHBondContact CB-SG 3.43Å; C575-C600 WeakPolarHBondContact SG-CB 3.36Å; C575-C600 CovalentContact SG-SG 2.04Å; C575-C600 PolarHBondContact SG-SG 3.2Å; C600-E607 WeakPolarHBondContact O-CA 3.36Å; C600-V608 PolarHBondContact N-O 2.83Å; C600-V608 PolarHBondContact O-N 2.67Å; C600-L610 HydrophobicContact CB-CD1 3.91Å
601	R	82.2	Confident	69.5	Low	123 Å²	123	79.1 Å²	79.1	46%	0.464	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.9	176.9	-67.7	178.6	-179.2	168.9	0.9	111.2	L573 C575 E606 E607	L573-R601 PolarHBondContact O-N 2.81Å; C575-R601 PolarHBondContact N-O 2.99Å; C575-R601 VanDerWaalsContact N-O 3.13Å; C575-R601 PolarHBondContact SG-N 3.1Å; C575-R601 VanDerWaalsContact SG-N 3.41Å; R601-E606 WeakPolarHBondContact CA-O 3.12Å; R601-E607 HydrophobicContact CG-CG 3.8Å; R601-E607 IonicContact CZ-OE1 3.65Å; R601-E607 VanDerWaalsContact CZ-OE1 3.22Å; R601-E607 IonicContact NE-OE1 2.87Å; R601-E607 PolarHBondContact NE-OE1 3.32Å; R601-E607 IonicContact NH2-OE1 3.85Å; R601-E607 PolarHBondContact NH2-OE1 3.29Å
602	F	75.4	Confident	69.4	Low	40 Å²	40	80.5 Å²	80.5	18%	0.175	44%	0.44	C	S	.	.			trans	-76.5	161.6	163.4	-69.8	-82.9	0	0	0	109.9	C575 C576 S604 Q605 E606 V608 V613 D617	C575-F602 HydrophobicContact CB-CD1 3.89Å; C575-F602 HydrophobicContact CB-CD2 4.27Å; C575-F602 HydrophobicContact CB-CE1 3.68Å; C575-F602 HydrophobicContact CB-CE2 4.07Å; C575-F602 HydrophobicContact CB-CG 4.19Å; C575-F602 HydrophobicContact CB-CZ 3.78Å; C576-F602 VanDerWaalsContact SG-CE1 3.58Å; F602-S604 PolarHBondContact O-N 3.12Å; F602-Q605 PolarHBondContact O-N 3.22Å; F602-E606 PolarHBondContact N-O 3.12Å; F602-V608 HydrophobicContact CD2-CG2 4.05Å; F602-V608 HydrophobicContact CE2-CB 4.1Å; F602-V608 HydrophobicContact CE2-CG2 3.79Å; F602-V613 HydrophobicContact CE2-CG2 4.48Å; F602-V613 HydrophobicContact CZ-CG1 4.08Å; F602-V613 HydrophobicContact CZ-CG2 4.17Å; F602-D617 HydrophobicContact CE1-CB 4.38Å; F602-D617 HydrophobicContact CZ-CB 4.27Å
603	S	65.3	Low	69.5	Low	126 Å²	126	80.6 Å²	80.6	88%	0.881	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-13.3	174.2	42.7	0	0	0	0	113.7
604	S	59.7	Low	69.9	Low	79 Å²	79	86 Å²	86	55%	0.552	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	10.7	174.4	51.5	0	0	0	0	116	F602 E606	F602-S604 PolarHBondContact O-N 3.12Å; S604-E606 VanDerWaalsContact C-N 3.28Å; S604-E606 PolarHBondContact O-N 2.98Å
605	Q	62.3	Low	70.5	Confident	172 Å²	172	86.9 Å²	86.9	80%	0.804	45%	0.454	S	S	*	.			trans	68.3	0.2	-179.9	-62.5	-167.5	-19.9	0	0	117.6	F602	F602-Q605 PolarHBondContact O-N 3.22Å
606	E	70.8	Confident	71.3	Confident	133 Å²	133	88 Å²	88	62%	0.621	45%	0.451	S	S	*	.			trans	-72.8	128.8	173.3	-73.4	178.2	167	0	0	111.3	R601 F602 S604	R601-E606 WeakPolarHBondContact CA-O 3.12Å; F602-E606 PolarHBondContact N-O 3.12Å; S604-E606 VanDerWaalsContact C-N 3.28Å; S604-E606 PolarHBondContact O-N 2.98Å
607	E	76.8	Confident	71.7	Confident	112 Å²	112	84.4 Å²	84.4	52%	0.523	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.7	174.8	-75.6	-176.7	175.1	0	0	110.1	I599 C600 R601	I599-E607 HydrophobicContact CG2-CB 3.72Å; I599-E607 HydrophobicContact CG2-CG 3.98Å; C600-E607 WeakPolarHBondContact O-CA 3.36Å; R601-E607 HydrophobicContact CG-CG 3.8Å; R601-E607 IonicContact CZ-OE1 3.65Å; R601-E607 VanDerWaalsContact CZ-OE1 3.22Å; R601-E607 IonicContact NE-OE1 2.87Å; R601-E607 PolarHBondContact NE-OE1 3.32Å; R601-E607 IonicContact NH2-OE1 3.85Å; R601-E607 PolarHBondContact NH2-OE1 3.29Å
608	V	78.6	Confident	71.7	Confident	45 Å²	45	81.7 Å²	81.7	27%	0.273	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.6	-177.8	-174.3	0	0	0	0	109.4	I599 C600 F602 L610 V613	I599-V608 WeakPolarHBondContact CA-O 3.27Å; C600-V608 PolarHBondContact N-O 2.83Å; C600-V608 PolarHBondContact O-N 2.67Å; F602-V608 HydrophobicContact CD2-CG2 4.05Å; F602-V608 HydrophobicContact CE2-CB 4.1Å; F602-V608 HydrophobicContact CE2-CG2 3.79Å; V608-L610 PolarHBondContact O-N 3.4Å; V608-V613 HydrophobicContact CG1-CG2 4.34Å
609	S	76	Confident	70.9	Confident	19 Å²	19	87.8 Å²	87.8	13%	0.133	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.2	172.2	171.5	0	0	0	0	110	D597 L598 S611 H612	D597-S609 WeakPolarHBondContact CB-OG 3.28Å; D597-S609 WeakPolarHBondContact OD2-CB 3.48Å; D597-S609 PolarHBondContact OD2-OG 2.94Å; L598-S609 CarbonylContact O-C 3.42Å; L598-S609 WeakPolarHBondContact O-CA 3.39Å; S609-S611 PolarHBondContact O-N 2.94Å; S609-S611 PolarHBondContact OG-OG 3.2Å; S609-H612 WeakPolarHBondContact CB-ND1 3.29Å; S609-H612 WeakPolarHBondContact O-CB 3.3Å; S609-H612 PolarHBondContact O-N 2.85Å; S609-H612 PolarHBondContact OG-ND1 2.74Å
610	L	74.1	Confident	69.4	Low	15 Å²	15	90.6 Å²	90.6	8%	0.079	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-60.8	-29.6	-173.4	-172.3	69.5	0	0	0	112.2	L581 L585 L598 C600 V608 H612 V613	L581-L610 HydrophobicContact CD2-CD2 3.86Å; L581-L610 HydrophobicContact CG-CD2 4.27Å; L585-L610 HydrophobicContact CD1-CD2 3.76Å; L585-L610 HydrophobicContact CD1-CG 4.49Å; L598-L610 HydrophobicContact CB-CB 4.06Å; L598-L610 HydrophobicContact CB-CD2 4.44Å; L598-L610 HydrophobicContact CD1-CD2 4.44Å; L598-L610 WeakPolarHBondContact O-CB 3.38Å; L598-L610 PolarHBondContact O-N 3.08Å; C600-L610 HydrophobicContact CB-CD1 3.91Å; V608-L610 PolarHBondContact O-N 3.4Å; L610-H612 PolarHBondContact O-N 3.11Å; L610-V613 PolarHBondContact O-N 3.22Å
611	S	68.2	Low	67.7	Low	79 Å²	79	92.7 Å²	92.7	55%	0.552	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.6	175.8	59.1	0	0	0	0	113.4	S609	S609-S611 PolarHBondContact O-N 2.94Å; S609-S611 PolarHBondContact OG-OG 3.2Å
612	H	70.8	Confident	66	Low	127 Å²	127	88.6 Å²	88.6	59%	0.588	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-97.4	-5.3	-178.5	-62	98.8	0	0	0	113.5	S609 L610	S609-H612 WeakPolarHBondContact CB-ND1 3.29Å; S609-H612 WeakPolarHBondContact O-CB 3.3Å; S609-H612 PolarHBondContact O-N 2.85Å; S609-H612 PolarHBondContact OG-ND1 2.74Å; L610-H612 PolarHBondContact O-N 3.11Å
613	V	70.1	Confident	64.6	Low	20 Å²	20	91.4 Å²	91.4	12%	0.121	50%	0.496	C	S	.	.			trans	-78.9	122.7	-178.3	178.4	0	0	0	0	110.1	C575 F602 V608 L610	C575-V613 HydrophobicContact CB-CG1 4.34Å; C575-V613 HydrophobicContact CB-CG2 4.27Å; F602-V613 HydrophobicContact CE2-CG2 4.48Å; F602-V613 HydrophobicContact CZ-CG1 4.08Å; F602-V613 HydrophobicContact CZ-CG2 4.17Å; V608-V613 HydrophobicContact CG1-CG2 4.34Å; L610-V613 PolarHBondContact O-N 3.22Å
614	R	68.2	Low	63.9	Low	168 Å²	168	93.4 Å²	93.4	63%	0.634	49%	0.489	S	S	*	.			trans	-97.7	151.5	174.8	-58.3	-179.6	-171.2	-179.3	2.9	110.6	E616 D617	R614-E616 PolarHBondContact O-N 2.69Å; R614-E616 VanDerWaalsContact O-N 3.11Å; R614-D617 WeakPolarHBondContact CB-OD2 3.46Å; R614-D617 PolarHBondContact N-OD2 3.43Å; R614-D617 WeakPolarHBondContact O-CB 3.17Å; R614-D617 PolarHBondContact O-N 3.25Å
615	P	65.1	Low	63.5	Low	110 Å²	110	94.8 Å²	94.8	71%	0.714	49%	0.49	S	S	*	.	H	α-helix	trans	-52.7	-34.2	175.2	-27.4	34.9	0	0	0	113.9	D617 C618	P615-D617 VanDerWaalsContact C-N 3.31Å; P615-D617 PolarHBondContact O-N 3.43Å; P615-C618 PolarHBondContact O-N 3.41Å
616	E	65.3	Low	63.3	Low	137 Å²	137	91.3 Å²	91.3	64%	0.64	48%	0.476	S	S	*	.	H	α-helix	trans	-66.2	-27.8	178.5	-61	175.7	-170.9	0	0	113.6	R614 C618 E619	R614-E616 PolarHBondContact O-N 2.69Å; R614-E616 VanDerWaalsContact O-N 3.11Å; E616-C618 PolarHBondContact O-N 2.75Å; E616-E619 PolarHBondContact O-N 3.39Å
617	D	67.4	Low	62.6	Low	61 Å²	61	89.3 Å²	89.3	33%	0.326	47%	0.47	S	S	.	.	H	α-helix	trans	-68.6	-24.9	179	-62.4	-44.5	0	0	0	111.4	F602 R614 P615	F602-D617 HydrophobicContact CE1-CB 4.38Å; F602-D617 HydrophobicContact CZ-CB 4.27Å; R614-D617 WeakPolarHBondContact CB-OD2 3.46Å; R614-D617 PolarHBondContact N-OD2 3.43Å; R614-D617 WeakPolarHBondContact O-CB 3.17Å; R614-D617 PolarHBondContact O-N 3.25Å; P615-D617 VanDerWaalsContact C-N 3.31Å; P615-D617 PolarHBondContact O-N 3.43Å
618	C	67	Low	62	Low	44 Å²	44	88.8 Å²	88.8	30%	0.297	47%	0.47	S	S	.	.	H	α-helix	trans	-81.7	-18.5	178.2	-69.3	0	0	0	0	114.2	C576 P615 E616	C576-C618 WeakPolarHBondContact CA-SG 3.28Å; C576-C618 HydrophobicContact CB-CB 3.66Å; C576-C618 WeakPolarHBondContact CB-SG 3.09Å; C576-C618 WeakPolarHBondContact SG-CA 3.35Å; C576-C618 WeakPolarHBondContact SG-CB 3.26Å; C576-C618 CovalentContact SG-SG 2.05Å; C576-C618 PolarHBondContact SG-SG 3.38Å; P615-C618 PolarHBondContact O-N 3.41Å; E616-C618 PolarHBondContact O-N 2.75Å
619	E	59.4	Low	61.5	Low	146 Å²	146	91.8 Å²	91.8	68%	0.682	48%	0.483	S	S	*	.	H	α-helix	trans	-78.8	-28.1	176.5	-66.3	-168.9	158.5	0	0	112.6	E616 G621 G622	E616-E619 PolarHBondContact O-N 3.39Å; E619-G621 VanDerWaalsContact C-N 3.25Å; E619-G621 PolarHBondContact O-N 3.06Å; E619-G622 PolarHBondContact O-N 3.01Å; E619-G622 VanDerWaalsContact O-N 3.15Å
620	K	52.6	Low	61.2	Low	145 Å²	145	95.1 Å²	95.1	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-65.9	-22.8	-178.5	-74.7	178.4	-177.4	163	0	114.2
621	G	47.2	Very low	61.3	Low	46 Å²	46	99 Å²	99	47%	0.474	52%	0.519	S	S	.	.	H	α-helix	trans	-70.2	-31.9	174.1	0	0	0	0	0	113.7	E619	E619-G621 VanDerWaalsContact C-N 3.25Å; E619-G621 PolarHBondContact O-N 3.06Å
622	G	45.3	Very low	61.7	Low	36 Å²	36	100.2 Å²	100.2	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-75.7	-30.1	179.1	0	0	0	0	0	113.8	E619 K624 N625 I626	E619-G622 PolarHBondContact O-N 3.01Å; E619-G622 VanDerWaalsContact O-N 3.15Å; G622-K624 VanDerWaalsContact C-N 3.31Å; G622-K624 PolarHBondContact O-N 3.17Å; G622-N625 PolarHBondContact O-N 2.89Å; G622-I626 PolarHBondContact O-N 2.85Å
623	L	46	Very low	62	Low	99 Å²	99	97.7 Å²	97.7	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-30.2	-178.1	-84.9	151.7	0	0	0	113.6	N627	L623-N627 PolarHBondContact O-N 3.42Å; L623-N627 VanDerWaalsContact O-N 3.14Å
624	K	50.2	Low	62.6	Low	168 Å²	168	103.9 Å²	103.9	73%	0.73	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-38.2	175.2	-84.6	-175.5	177.2	176.6	0	112.6	G622 L628	G622-K624 VanDerWaalsContact C-N 3.31Å; G622-K624 PolarHBondContact O-N 3.17Å; K624-L628 WeakPolarHBondContact O-CB 3.45Å; K624-L628 PolarHBondContact O-N 2.95Å; K624-L628 VanDerWaalsContact O-N 3.1Å
625	N	53.1	Low	63.3	Low	108 Å²	108	100.8 Å²	100.8	58%	0.578	53%	0.532	S	S	*	.	H	α-helix	trans	-73.5	-36.4	180	-76	-11	0	0	0	112	G622 L628 I629	G622-N625 PolarHBondContact O-N 2.89Å; N625-L628 PolarHBondContact O-N 3.18Å; N625-I629 VanDerWaalsContact O-CG1 3.3Å; N625-I629 WeakPolarHBondContact O-CG1 3.5Å; N625-I629 PolarHBondContact O-N 3.14Å
626	I	57.5	Low	64.2	Low	99 Å²	99	100.8 Å²	100.8	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.1	-65.5	168.2	0	0	0	110.7	G622 L628 I629 I630	G622-I626 PolarHBondContact O-N 2.85Å; I626-L628 VanDerWaalsContact C-N 3.33Å; I626-L628 PolarHBondContact O-N 3.2Å; I626-I629 PolarHBondContact O-N 2.88Å; I626-I630 HydrophobicContact CG2-CD1 3.75Å; I626-I630 HydrophobicContact CG2-CG1 4.41Å; I626-I630 VanDerWaalsContact O-CG1 3.26Å; I626-I630 WeakPolarHBondContact O-CG1 3.36Å; I626-I630 PolarHBondContact O-N 3.32Å
627	N	56.3	Low	65.1	Low	92 Å²	92	98.2 Å²	98.2	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-37	175.4	-87.3	-16.4	0	0	0	112.6	L623 I630 I631	L623-N627 PolarHBondContact O-N 3.42Å; L623-N627 VanDerWaalsContact O-N 3.14Å; N627-I630 PolarHBondContact O-N 3.09Å; N627-I631 WeakPolarHBondContact O-CB 3.17Å; N627-I631 WeakPolarHBondContact O-CD1 3.41Å; N627-I631 WeakPolarHBondContact O-CG1 3.41Å; N627-I631 PolarHBondContact O-N 3.25Å
628	L	63.1	Low	65.7	Low	101 Å²	101	97.5 Å²	97.5	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-40.5	176.5	-164	75.2	0	0	0	112	K624 N625 I626 I631 L632	K624-L628 WeakPolarHBondContact O-CB 3.45Å; K624-L628 PolarHBondContact O-N 2.95Å; K624-L628 VanDerWaalsContact O-N 3.1Å; N625-L628 PolarHBondContact O-N 3.18Å; I626-L628 VanDerWaalsContact C-N 3.33Å; I626-L628 PolarHBondContact O-N 3.2Å; L628-I631 PolarHBondContact O-N 3.06Å; L628-L632 HydrophobicContact CG-CD1 4.16Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 2.84Å
629	I	68.6	Low	66.3	Low	107 Å²	107	97.7 Å²	97.7	55%	0.549	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-40.4	175.8	-67.2	166.3	0	0	0	110.8	N625 I626 L632 T633	N625-I629 VanDerWaalsContact O-CG1 3.3Å; N625-I629 WeakPolarHBondContact O-CG1 3.5Å; N625-I629 PolarHBondContact O-N 3.14Å; I626-I629 PolarHBondContact O-N 2.88Å; I629-L632 PolarHBondContact O-N 2.59Å; I629-T633 HydrophobicContact CG2-CG2 4.39Å; I629-T633 WeakPolarHBondContact O-CB 3.42Å; I629-T633 WeakPolarHBondContact O-CG2 3.46Å; I629-T633 PolarHBondContact O-N 3.22Å; I629-T633 PolarHBondContact O-OG1 3.3Å
630	I	70.1	Confident	67.4	Low	90 Å²	90	95.2 Å²	95.2	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-42.6	175.2	-67.8	168	0	0	0	110.7	I626 N627 T633 F634	I626-I630 HydrophobicContact CG2-CD1 3.75Å; I626-I630 HydrophobicContact CG2-CG1 4.41Å; I626-I630 VanDerWaalsContact O-CG1 3.26Å; I626-I630 WeakPolarHBondContact O-CG1 3.36Å; I626-I630 PolarHBondContact O-N 3.32Å; N627-I630 PolarHBondContact O-N 3.09Å; I630-T633 VanDerWaalsContact CA-OG1 3.31Å; I630-T633 WeakPolarHBondContact CA-OG1 3.47Å; I630-T633 PolarHBondContact O-N 3.44Å; I630-T633 PolarHBondContact O-OG1 3.11Å; I630-F634 VanDerWaalsContact O-CB 3.31Å; I630-F634 WeakPolarHBondContact O-CB 3.4Å; I630-F634 PolarHBondContact O-N 3.38Å
631	I	75.1	Confident	68.8	Low	97 Å²	97	93.1 Å²	93.1	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-45.4	177.1	-68.5	163.5	0	0	0	110.8	N627 L628 T633 F634 I635	N627-I631 WeakPolarHBondContact O-CB 3.17Å; N627-I631 WeakPolarHBondContact O-CD1 3.41Å; N627-I631 WeakPolarHBondContact O-CG1 3.41Å; N627-I631 PolarHBondContact O-N 3.25Å; L628-I631 PolarHBondContact O-N 3.06Å; I631-T633 PolarHBondContact O-N 3Å; I631-F634 PolarHBondContact O-N 3.47Å; I631-I635 HydrophobicContact CG2-CD1 3.82Å; I631-I635 HydrophobicContact CG2-CG1 4.44Å; I631-I635 VanDerWaalsContact O-CG1 3.26Å; I631-I635 WeakPolarHBondContact O-CG1 3.18Å; I631-I635 PolarHBondContact O-N 3.08Å
632	L	76.5	Confident	70.3	Confident	104 Å²	104	96.7 Å²	96.7	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-40.7	178.2	-81	162.7	0	0	0	112.3	L628 I629 I635 L636	L628-L632 HydrophobicContact CG-CD1 4.16Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 2.84Å; I629-L632 PolarHBondContact O-N 2.59Å; L632-I635 PolarHBondContact O-N 3.23Å; L632-L636 WeakPolarHBondContact O-CB 3.41Å; L632-L636 PolarHBondContact O-N 3.07Å
633	T	78.7	Confident	71.8	Confident	73 Å²	73	99 Å²	99	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-67.8	-38.2	174.9	48.2	0	0	0	0	111.6	I629 I630 I631 L636 V637	I629-T633 HydrophobicContact CG2-CG2 4.39Å; I629-T633 WeakPolarHBondContact O-CB 3.42Å; I629-T633 WeakPolarHBondContact O-CG2 3.46Å; I629-T633 PolarHBondContact O-N 3.22Å; I629-T633 PolarHBondContact O-OG1 3.3Å; I630-T633 VanDerWaalsContact CA-OG1 3.31Å; I630-T633 WeakPolarHBondContact CA-OG1 3.47Å; I630-T633 PolarHBondContact O-N 3.44Å; I630-T633 PolarHBondContact O-OG1 3.11Å; I631-T633 PolarHBondContact O-N 3Å; T633-L636 PolarHBondContact O-N 3.04Å; T633-V637 WeakPolarHBondContact O-CB 3.35Å; T633-V637 VanDerWaalsContact O-CG2 3.26Å; T633-V637 WeakPolarHBondContact O-CG2 3.26Å; T633-V637 PolarHBondContact O-N 3.47Å
634	F	82.4	Confident	73.2	Confident	151 Å²	151	97.9 Å²	97.9	66%	0.662	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-39.1	174.8	-155	-89.5	0	0	0	112.4	I630 I631 S638	I630-F634 VanDerWaalsContact O-CB 3.31Å; I630-F634 WeakPolarHBondContact O-CB 3.4Å; I630-F634 PolarHBondContact O-N 3.38Å; I631-F634 PolarHBondContact O-N 3.47Å; F634-S638 VanDerWaalsContact O-CB 3.23Å; F634-S638 WeakPolarHBondContact O-CB 3.4Å; F634-S638 PolarHBondContact O-N 3.38Å; F634-S638 PolarHBondContact O-OG 3.22Å
635	I	82.7	Confident	74.3	Confident	102 Å²	102	94.5 Å²	94.5	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-44.6	173.9	-69.8	167.8	0	0	0	110.4	I631 L632 S638 A639	I631-I635 HydrophobicContact CG2-CD1 3.82Å; I631-I635 HydrophobicContact CG2-CG1 4.44Å; I631-I635 VanDerWaalsContact O-CG1 3.26Å; I631-I635 WeakPolarHBondContact O-CG1 3.18Å; I631-I635 PolarHBondContact O-N 3.08Å; L632-I635 PolarHBondContact O-N 3.23Å; I635-S638 PolarHBondContact O-N 2.93Å; I635-A639 WeakPolarHBondContact O-CB 3.44Å; I635-A639 PolarHBondContact O-N 2.93Å
636	L	83.1	Confident	75.2	Confident	111 Å²	111	92 Å²	92	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-46.3	178.8	-169.7	74.4	0	0	0	111.5	L632 T633 S638 A639 I640	L632-L636 WeakPolarHBondContact O-CB 3.41Å; L632-L636 PolarHBondContact O-N 3.07Å; T633-L636 PolarHBondContact O-N 3.04Å; L636-S638 VanDerWaalsContact C-N 3.35Å; L636-S638 PolarHBondContact O-N 2.84Å; L636-A639 PolarHBondContact O-N 3.2Å; L636-I640 HydrophobicContact CG-CD1 4.19Å; L636-I640 VanDerWaalsContact O-CG1 3.27Å; L636-I640 WeakPolarHBondContact O-CG1 3.16Å; L636-I640 PolarHBondContact O-N 3.17Å
637	V	84.3	Confident	75.8	Confident	83 Å²	83	91.2 Å²	91.2	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-41.3	176.9	172.3	0	0	0	0	110.9	T633 A639 I640 L641	T633-V637 WeakPolarHBondContact O-CB 3.35Å; T633-V637 VanDerWaalsContact O-CG2 3.26Å; T633-V637 WeakPolarHBondContact O-CG2 3.26Å; T633-V637 PolarHBondContact O-N 3.47Å; V637-A639 PolarHBondContact O-N 2.88Å; V637-I640 PolarHBondContact O-N 2.89Å; V637-L641 HydrophobicContact CG1-CD1 4.39Å; V637-L641 PolarHBondContact O-N 3.43Å
638	S	79.9	Confident	76.3	Confident	46 Å²	46	90.2 Å²	90.2	32%	0.322	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-38.7	176.9	-60.4	0	0	0	0	112.2	F634 I635 L636 L641 L642	F634-S638 VanDerWaalsContact O-CB 3.23Å; F634-S638 WeakPolarHBondContact O-CB 3.4Å; F634-S638 PolarHBondContact O-N 3.38Å; F634-S638 PolarHBondContact O-OG 3.22Å; I635-S638 PolarHBondContact O-N 2.93Å; L636-S638 VanDerWaalsContact C-N 3.35Å; L636-S638 PolarHBondContact O-N 2.84Å; S638-L641 PolarHBondContact O-N 2.91Å; S638-L642 WeakPolarHBondContact O-CB 3.43Å; S638-L642 PolarHBondContact O-N 3.36Å
639	A	80.8	Confident	76.4	Confident	48 Å²	48	89.2 Å²	89.2	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-38.7	175	0	0	0	0	0	112	I635 L636 V637 L642 T643	I635-A639 WeakPolarHBondContact O-CB 3.44Å; I635-A639 PolarHBondContact O-N 2.93Å; L636-A639 PolarHBondContact O-N 3.2Å; V637-A639 PolarHBondContact O-N 2.88Å; A639-L642 PolarHBondContact O-N 2.65Å; A639-T643 WeakPolarHBondContact O-CB 3.23Å; A639-T643 VanDerWaalsContact O-CG2 3.27Å; A639-T643 WeakPolarHBondContact O-CG2 3.41Å; A639-T643 PolarHBondContact O-N 3.34Å; A639-T643 PolarHBondContact O-OG1 3.35Å
640	I	82.9	Confident	76.1	Confident	93 Å²	93	88 Å²	88	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-39.9	174.2	-65.7	165.1	0	0	0	110.6	L636 V637 T643 T644	L636-I640 HydrophobicContact CG-CD1 4.19Å; L636-I640 VanDerWaalsContact O-CG1 3.27Å; L636-I640 WeakPolarHBondContact O-CG1 3.16Å; L636-I640 PolarHBondContact O-N 3.17Å; V637-I640 PolarHBondContact O-N 2.89Å; I640-T643 WeakPolarHBondContact CA-OG1 3.44Å; I640-T643 PolarHBondContact O-N 2.93Å; I640-T643 PolarHBondContact O-OG1 3.43Å; I640-T644 HydrophobicContact CG2-CG2 4.49Å; I640-T644 WeakPolarHBondContact O-CB 3.26Å; I640-T644 VanDerWaalsContact O-CG2 3.3Å; I640-T644 WeakPolarHBondContact O-CG2 3.32Å; I640-T644 PolarHBondContact O-N 2.81Å; I640-T644 PolarHBondContact O-OG1 3.41Å
641	L	80.5	Confident	75.7	Confident	101 Å²	101	87.5 Å²	87.5	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176	-123.3	107.3	0	0	0	112.1	V637 S638 T644 L645	V637-L641 HydrophobicContact CG1-CD1 4.39Å; V637-L641 PolarHBondContact O-N 3.43Å; S638-L641 PolarHBondContact O-N 2.91Å; L641-T644 VanDerWaalsContact CA-OG1 3.32Å; L641-T644 WeakPolarHBondContact CA-OG1 3.27Å; L641-T644 PolarHBondContact O-N 3.49Å; L641-T644 PolarHBondContact O-OG1 3.38Å; L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 WeakPolarHBondContact O-CB 3.42Å; L641-L645 PolarHBondContact O-N 3.26Å
642	L	78.8	Confident	75	Confident	122 Å²	122	92.2 Å²	92.2	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-39.9	176.9	-87.4	156.7	0	0	0	112.2	S638 A639 A646	S638-L642 WeakPolarHBondContact O-CB 3.43Å; S638-L642 PolarHBondContact O-N 3.36Å; A639-L642 PolarHBondContact O-N 2.65Å; L642-A646 VanDerWaalsContact O-CB 3.22Å; L642-A646 WeakPolarHBondContact O-CB 3.27Å; L642-A646 PolarHBondContact O-N 3.23Å
643	T	76.8	Confident	74	Confident	85 Å²	85	96.3 Å²	96.3	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-71.5	-35.5	177.7	50.5	0	0	0	0	112.3	A639 I640 T647	A639-T643 WeakPolarHBondContact O-CB 3.23Å; A639-T643 VanDerWaalsContact O-CG2 3.27Å; A639-T643 WeakPolarHBondContact O-CG2 3.41Å; A639-T643 PolarHBondContact O-N 3.34Å; A639-T643 PolarHBondContact O-OG1 3.35Å; I640-T643 WeakPolarHBondContact CA-OG1 3.44Å; I640-T643 PolarHBondContact O-N 2.93Å; I640-T643 PolarHBondContact O-OG1 3.43Å; T643-T647 WeakPolarHBondContact O-CB 3.48Å; T643-T647 PolarHBondContact O-N 3.05Å; T643-T647 PolarHBondContact O-OG1 3.28Å
644	T	75.4	Confident	73	Confident	74 Å²	74	99.3 Å²	99.3	45%	0.454	54%	0.535	S	S	.	.	H	α-helix	trans	-71.3	-37.7	173.4	50.8	0	0	0	0	112.6	I640 L641 T647 C648	I640-T644 HydrophobicContact CG2-CG2 4.49Å; I640-T644 WeakPolarHBondContact O-CB 3.26Å; I640-T644 VanDerWaalsContact O-CG2 3.3Å; I640-T644 WeakPolarHBondContact O-CG2 3.32Å; I640-T644 PolarHBondContact O-N 2.81Å; I640-T644 PolarHBondContact O-OG1 3.41Å; L641-T644 VanDerWaalsContact CA-OG1 3.32Å; L641-T644 WeakPolarHBondContact CA-OG1 3.27Å; L641-T644 PolarHBondContact O-N 3.49Å; L641-T644 PolarHBondContact O-OG1 3.38Å; T644-T647 VanDerWaalsContact CA-OG1 3.28Å; T644-T647 WeakPolarHBondContact CA-OG1 3.07Å; T644-T647 PolarHBondContact O-OG1 3.26Å; T644-T647 VanDerWaalsContact O-OG1 3.05Å; T644-C648 VanDerWaalsContact O-CB 3.24Å; T644-C648 WeakPolarHBondContact O-CB 3.04Å; T644-C648 PolarHBondContact O-N 3.4Å
645	L	74.7	Confident	71.7	Confident	98 Å²	98	99.1 Å²	99.1	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-42.8	170.5	-92.4	152.3	0	0	0	112.1	L641 C648 C649	L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 WeakPolarHBondContact O-CB 3.42Å; L641-L645 PolarHBondContact O-N 3.26Å; L645-C648 PolarHBondContact O-N 3.23Å; L645-C649 WeakPolarHBondContact O-CB 3.43Å; L645-C649 PolarHBondContact O-N 2.88Å; L645-C649 PolarHBondContact O-SG 3.32Å; L645-C649 VanDerWaalsContact O-SG 3.35Å
646	A	71.1	Confident	70.3	Confident	54 Å²	54	101.4 Å²	101.4	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-43	177	0	0	0	0	0	111.9	L642 C649 C650	L642-A646 VanDerWaalsContact O-CB 3.22Å; L642-A646 WeakPolarHBondContact O-CB 3.27Å; L642-A646 PolarHBondContact O-N 3.23Å; A646-C649 PolarHBondContact O-N 3.46Å; A646-C650 WeakPolarHBondContact O-CB 3.47Å; A646-C650 PolarHBondContact O-N 3.29Å; A646-C650 PolarHBondContact O-SG 2.65Å; A646-C650 VanDerWaalsContact O-SG 3.34Å
647	T	70.1	Confident	68.9	Low	84 Å²	84	101.9 Å²	101.9	52%	0.515	54%	0.543	S	S	.	.	H	α-helix	trans	-67.5	-38.7	174.7	40	0	0	0	0	112.1	T643 T644 C650 V651	T643-T647 WeakPolarHBondContact O-CB 3.48Å; T643-T647 PolarHBondContact O-N 3.05Å; T643-T647 PolarHBondContact O-OG1 3.28Å; T644-T647 VanDerWaalsContact CA-OG1 3.28Å; T644-T647 WeakPolarHBondContact CA-OG1 3.07Å; T644-T647 PolarHBondContact O-OG1 3.26Å; T644-T647 VanDerWaalsContact O-OG1 3.05Å; T647-C650 PolarHBondContact O-N 3.02Å; T647-V651 WeakPolarHBondContact O-CB 3.45Å; T647-V651 VanDerWaalsContact O-CG2 3.27Å; T647-V651 WeakPolarHBondContact O-CG2 3.41Å; T647-V651 PolarHBondContact O-N 3.06Å
648	C	66.5	Low	67.5	Low	71 Å²	71	105.8 Å²	105.8	48%	0.48	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-40	174.1	-161.5	0	0	0	0	112.3	T644 L645 V651 R652	T644-C648 VanDerWaalsContact O-CB 3.24Å; T644-C648 WeakPolarHBondContact O-CB 3.04Å; T644-C648 PolarHBondContact O-N 3.4Å; L645-C648 PolarHBondContact O-N 3.23Å; C648-V651 PolarHBondContact O-N 3.39Å; C648-R652 WeakPolarHBondContact O-CB 3.38Å; C648-R652 PolarHBondContact O-N 2.88Å
649	C	65.2	Low	66.2	Low	79 Å²	79	111.4 Å²	111.4	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-40	173.6	-76.7	0	0	0	0	112.2	L645 A646 R652 R653	L645-C649 WeakPolarHBondContact O-CB 3.43Å; L645-C649 PolarHBondContact O-N 2.88Å; L645-C649 PolarHBondContact O-SG 3.32Å; L645-C649 VanDerWaalsContact O-SG 3.35Å; A646-C649 PolarHBondContact O-N 3.46Å; C649-R652 PolarHBondContact O-N 2.04Å; C649-R653 VanDerWaalsContact O-CB 3.3Å; C649-R653 WeakPolarHBondContact O-CB 3.33Å; C649-R653 PolarHBondContact O-N 2.87Å
650	C	62.2	Low	65	Low	83 Å²	83	119 Å²	119	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-40.9	173.9	-76	0	0	0	0	112.3	A646 T647 R653 Q654	A646-C650 WeakPolarHBondContact O-CB 3.47Å; A646-C650 PolarHBondContact O-N 3.29Å; A646-C650 PolarHBondContact O-SG 2.65Å; A646-C650 VanDerWaalsContact O-SG 3.34Å; T647-C650 PolarHBondContact O-N 3.02Å; C650-R653 PolarHBondContact O-N 2.64Å; C650-Q654 PolarHBondContact O-N 2.99Å
651	V	62.6	Low	63.4	Low	78 Å²	78	124.5 Å²	124.5	47%	0.473	62%	0.617	S	S	.	*	H	α-helix	trans	-69.6	-38.8	176.7	172.2	0	0	0	0	111.6	T647 C648 Q654 K655	T647-V651 WeakPolarHBondContact O-CB 3.45Å; T647-V651 VanDerWaalsContact O-CG2 3.27Å; T647-V651 WeakPolarHBondContact O-CG2 3.41Å; T647-V651 PolarHBondContact O-N 3.06Å; C648-V651 PolarHBondContact O-N 3.39Å; V651-Q654 PolarHBondContact O-N 2.76Å; V651-K655 PolarHBondContact O-N 2.59Å
652	R	58.8	Low	61.5	Low	197 Å²	197	128.1 Å²	128.1	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-65	-37.7	171.8	-92.6	-175.3	165.1	178	-3	112.2	C648 C649 K655 F656	C648-R652 WeakPolarHBondContact O-CB 3.38Å; C648-R652 PolarHBondContact O-N 2.88Å; C649-R652 PolarHBondContact O-N 2.04Å; R652-K655 PolarHBondContact O-N 2.89Å; R652-F656 WeakPolarHBondContact O-CB 2.97Å; R652-F656 PolarHBondContact O-N 3.44Å
653	R	57.2	Low	60.7	Low	189 Å²	189	128.4 Å²	128.4	71%	0.713	66%	0.663	S	S	*	*	H	α-helix	trans	-67.6	-35.6	175.4	-165.2	174.7	-178.8	-179.8	0.1	112.2	C649 C650 N657	C649-R653 VanDerWaalsContact O-CB 3.3Å; C649-R653 WeakPolarHBondContact O-CB 3.33Å; C649-R653 PolarHBondContact O-N 2.87Å; C650-R653 PolarHBondContact O-N 2.64Å; R653-N657 PolarHBondContact O-N 2.94Å; R653-N657 VanDerWaalsContact O-N 3.1Å
654	Q	56.9	Low	59.8	Low	137 Å²	137	130.7 Å²	130.7	64%	0.64	67%	0.67	S	S	*	*	H	α-helix	trans	-66.8	-39.9	171.2	-94.7	-178.1	-29.5	0	0	112.7	C650 V651 N657 Q658	C650-Q654 PolarHBondContact O-N 2.99Å; V651-Q654 PolarHBondContact O-N 2.76Å; Q654-N657 PolarHBondContact O-N 2.83Å; Q654-Q658 PolarHBondContact O-N 3.14Å
655	K	54.5	Low	59	Low	146 Å²	146	133.8 Å²	133.8	64%	0.635	68%	0.682	S	S	*	*	H	α-helix	trans	-69.5	-34.5	174.8	-79.4	-173.9	174.5	-177.8	0	113.2	V651 R652 Q658	V651-K655 PolarHBondContact O-N 2.59Å; R652-K655 PolarHBondContact O-N 2.89Å; K655-Q658 PolarHBondContact O-N 2.89Å
656	F	54.6	Low	58	Low	151 Å²	151	135.9 Å²	135.9	66%	0.662	69%	0.692	S	S	*	*	H	α-helix	trans	-69.8	-35.3	175.8	-149.2	-91.3	0	0	0	112.2	R652 Q658 Q659	R652-F656 WeakPolarHBondContact O-CB 2.97Å; R652-F656 PolarHBondContact O-N 3.44Å; F656-Q658 VanDerWaalsContact C-N 3.27Å; F656-Q658 PolarHBondContact O-N 3.15Å; F656-Q659 PolarHBondContact O-N 2.98Å
657	N	53.8	Low	57.2	Low	120 Å²	120	141.1 Å²	141.1	64%	0.642	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-10.7	175.5	-89.9	-9.2	0	0	0	114.6	R653 Q654	R653-N657 PolarHBondContact O-N 2.94Å; R653-N657 VanDerWaalsContact O-N 3.1Å; Q654-N657 PolarHBondContact O-N 2.83Å
658	Q	54	Low	56.3	Low	166 Å²	166	144.9 Å²	144.9	78%	0.776	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-6.7	175.2	-79	-175.1	-20.4	0	0	113.9	Q654 K655 F656	Q654-Q658 PolarHBondContact O-N 3.14Å; K655-Q658 PolarHBondContact O-N 2.89Å; F656-Q658 VanDerWaalsContact C-N 3.27Å; F656-Q658 PolarHBondContact O-N 3.15Å
659	Q	53.8	Low	55.6	Low	163 Å²	163	150.1 Å²	150.1	76%	0.762	74%	0.737	S	S	*	*	S	Bend	trans	-100.1	-0.9	178.7	-80.4	-174.6	-35.1	0	0	115	F656	F656-Q659 PolarHBondContact O-N 2.98Å
660	Y	54.8	Low	54.9	Low	208 Å²	208	155.6 Å²	155.6	82%	0.816	75%	0.753	S	S	*	*	S	Bend	trans	-133.7	61.2	175	-90.2	-84.2	0	0	0	112.5
661	K	49	Very low	54.3	Low	208 Å²	208	161.7 Å²	161.7	90%	0.904	77%	0.769	S	S	*	*			trans	-145.6	73.9	155.6	-97.2	-176.3	179.8	-179.7	0	108.5
662	A	41.4	Very low	53.5	Low	177 Å²	177	169.3 Å²	169.3	100%	1.463	80%	0.796	S	S	*	*			trans	-105.2	0	147.3	0	0	0	0	0	106.7

Retrieved 662 of 662 residues in 205.3 ms (Link to these results)

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