A0A077Z840_TRITR Loading...

PET and LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z840, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	34.3	Very low	244 Å²	244	119.7 Å²	119.7	100%	1.202	75%	0.751	S	S	*	*				0	104.8	0	-71.4	-179.4	170.1	0	0	105.3
2	A	25.5	Very low	36.7	Very low	103 Å²	103	119.8 Å²	119.8	85%	0.851	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-79.8	124.8	-179.6	0	0	0	0	0	108.2
3	D	24.7	Very low	38.3	Very low	145 Å²	145	111.1 Å²	111.1	78%	0.775	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-65.6	135.6	169.9	-87.4	-48.5	0	0	0	109.3
4	P	32.9	Very low	39.2	Very low	97 Å²	97	110.6 Å²	110.6	63%	0.63	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-75	134	176.7	30.8	-30.4	0	0	0	109.4	I6	P4-I6 PolarHBondContact O-N 3.04Å
5	C	23.7	Very low	39.9	Very low	122 Å²	122	104.6 Å²	104.6	82%	0.824	66%	0.655	S	S	*	*			trans	-35.9	125.8	173.7	-60.6	0	0	0	0	112.1	D7	C5-D7 PolarHBondContact O-N 3.3Å
6	I	32.6	Very low	40	Very low	164 Å²	164	105.7 Å²	105.7	84%	0.841	66%	0.661	S	S	*	*			trans	-76.3	112.7	164.7	-66.9	175.8	0	0	0	105.8	P4 G8	P4-I6 PolarHBondContact O-N 3.04Å; I6-G8 PolarHBondContact O-N 2.85Å
7	D	30.3	Very low	40.1	Very low	142 Å²	142	106.3 Å²	106.3	76%	0.759	66%	0.658	S	S	*	*			trans	-57	119.7	168.1	-80.7	-40.4	0	0	0	109.4	C5 S9	C5-D7 PolarHBondContact O-N 3.3Å; D7-S9 PolarHBondContact O-N 3.03Å; D7-S9 VanDerWaalsContact O-N 3.1Å
8	G	30.6	Very low	40.3	Very low	85 Å²	85	103.2 Å²	103.2	88%	0.876	64%	0.641	S	S	*	*			trans	-74.3	90.5	170.5	0	0	0	0	0	109.8	I6	I6-G8 PolarHBondContact O-N 2.85Å
9	S	40.3	Very low	39.8	Very low	92 Å²	92	103 Å²	103	64%	0.643	64%	0.644	S	S	*	*			trans	-135.6	103.4	164.5	58.2	0	0	0	0	109.5	D7 S11	D7-S9 PolarHBondContact O-N 3.03Å; D7-S9 VanDerWaalsContact O-N 3.1Å; S9-S11 PolarHBondContact O-N 2.76Å
10	S	46.5	Very low	39.5	Very low	66 Å²	66	104.8 Å²	104.8	46%	0.462	64%	0.642	S	S	.	*			trans	-55.8	102.4	171.2	-49.2	0	0	0	0	109.7	E345	S10-E345 WeakPolarHBondContact CB-OE1 3.49Å; S10-E345 PolarHBondContact OG-OE1 3.08Å
11	S	57	Low	38.9	Very low	57 Å²	57	108.4 Å²	108.4	40%	0.399	65%	0.652	S	S	.	*			trans	-109.4	132.4	179.3	82	0	0	0	0	110.8	S9 G13 Y316	S9-S11 PolarHBondContact O-N 2.76Å; S11-G13 PolarHBondContact O-N 3.23Å; S11-Y316 PolarHBondContact OG-OH 3.03Å
12	L	62.9	Low	38.9	Very low	121 Å²	121	100.3 Å²	100.3	63%	0.634	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.5	115.5	173.8	-82.7	160.2	0	0	0	109	V352 L356	L12-V352 HydrophobicContact CD2-CG1 4.17Å; L12-V352 HydrophobicContact CD2-CG2 3.7Å; L12-L356 HydrophobicContact CD2-CD1 4.47Å
13	G	57.8	Low	39.2	Very low	6 Å²	6	100.5 Å²	100.5	6%	0.062	62%	0.617	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	136.8	178	0	0	0	0	0	111.7	S11 F342	S11-G13 PolarHBondContact O-N 3.23Å; G13-F342 PolarHBondContact N-O 3.3Å; G13-F342 PolarHBondContact O-N 3.37Å; G13-F342 VanDerWaalsContact O-N 3.14Å
14	S	51.7	Low	39.8	Very low	105 Å²	105	98.1 Å²	98.1	73%	0.734	63%	0.628	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118	125	161.7	178.8	0	0	0	0	107.2
15	C	49.4	Very low	40.3	Very low	20 Å²	20	97.3 Å²	97.3	14%	0.135	62%	0.624	C	S	.	*			trans	-108	125	-176.9	50.6	0	0	0	0	111.1	M314 F342	C15-M314 HydrophobicContact CB-CE 3.4Å; C15-M314 VanDerWaalsContact CB-CE 3.4Å; C15-M314 WeakPolarHBondContact SG-CE 3.26Å; C15-F342 HydrophobicContact CB-CE1 3.55Å; C15-F342 HydrophobicContact CB-CZ 3.99Å; C15-F342 WeakPolarHBondContact SG-CE1 3.27Å
16	T	41.7	Very low	41.7	Very low	122 Å²	122	97.7 Å²	97.7	75%	0.748	63%	0.628	S	S	*	*			trans	-82.7	142.4	161.3	47.9	0	0	0	0	108.6	S18	T16-S18 PolarHBondContact O-N 2.7Å
17	L	41.2	Very low	42.8	Very low	116 Å²	116	93 Å²	93	61%	0.607	61%	0.605	S	S	*	*			trans	-54.8	117.2	164.1	-99.1	158.4	0	0	0	106.8	S19 M314 A323	L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.38Å; L17-M314 HydrophobicContact CD2-SD 4.35Å; L17-A323 HydrophobicContact CD2-CB 4.27Å
18	S	43.4	Very low	44.4	Very low	50 Å²	50	88.3 Å²	88.3	35%	0.35	58%	0.582	S	S	.	*			trans	-68.3	93.4	177.5	60	0	0	0	0	108.2	T16 F20 R313	T16-S18 PolarHBondContact O-N 2.7Å; S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 3.2Å; S18-R313 PolarHBondContact OG-O 3.06Å
19	S	31.7	Very low	46.5	Very low	100 Å²	100	88.7 Å²	88.7	70%	0.699	57%	0.569	S	S	*	*			trans	-66.3	94.9	160.5	-64.6	0	0	0	0	106.5	L17 E21	L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.38Å; S19-E21 PolarHBondContact O-N 2.56Å
20	F	34.1	Very low	48.3	Very low	138 Å²	138	85.2 Å²	85.2	61%	0.605	55%	0.546	S	S	*	.	S	Bend	trans	24.1	68.6	168.4	-79	-86.6	0	0	0	115.2	S18	S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 3.2Å
21	E	26.5	Very low	50.1	Low	182 Å²	182	86.3 Å²	86.3	85%	0.85	55%	0.545	S	S	*	.			trans	-118.7	104	161.9	-67	-157.9	133	0	0	106.2	S19	S19-E21 PolarHBondContact O-N 2.56Å
22	G	32	Very low	51.4	Low	74 Å²	74	87.9 Å²	87.9	76%	0.763	55%	0.552	S	S	*	*			trans	-79.9	135	-167.3	0	0	0	0	0	113.1	G24	G22-G24 PolarHBondContact O-N 2.93Å
23	D	31.4	Very low	52.4	Low	106 Å²	106	82.3 Å²	82.3	57%	0.567	52%	0.524	S	S	*	.			trans	-58	116.8	160.9	-81.3	-40.9	0	0	0	110.3	S25	D23-S25 PolarHBondContact O-N 3.37Å; D23-S25 PolarHBondContact O-OG 3.36Å
24	G	37.1	Very low	53.7	Low	96 Å²	96	88 Å²	88	99%	0.99	55%	0.548	S	S	*	.	S	Bend	trans	50.1	-4.7	143.8	0	0	0	0	0	121.5	G22	G22-G24 PolarHBondContact O-N 2.93Å
25	S	44.4	Very low	55.2	Low	79 Å²	79	88 Å²	88	55%	0.552	54%	0.535	S	S	*	.	S	Bend	trans	-125.2	105.4	-178.2	42.5	0	0	0	0	106	D23 L27	D23-S25 PolarHBondContact O-N 3.37Å; D23-S25 PolarHBondContact O-OG 3.36Å; S25-L27 PolarHBondContact O-N 3.25Å
26	S	52.3	Low	56.8	Low	130 Å²	130	87.8 Å²	87.8	91%	0.909	53%	0.534	S	S	*	.			trans	-66.8	73.1	-166.6	59.2	0	0	0	0	112.5
27	L	55.7	Low	58.6	Low	67 Å²	67	91.2 Å²	91.2	35%	0.351	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-92.7	121.5	175.2	-64.2	176.4	0	0	0	108.8	S25 R281	S25-L27 PolarHBondContact O-N 3.25Å; L27-R281 HydrophobicContact CD2-CG 3.99Å
28	S	65	Low	60.3	Low	42 Å²	42	88.6 Å²	88.6	29%	0.294	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-57.3	142.8	173.1	53.9	0	0	0	0	109.6	V279 M280	S28-V279 WeakPolarHBondContact O-CG1 3.1Å; S28-V279 WeakPolarHBondContact OG-CG1 3.2Å; S28-M280 PolarHBondContact OG-N 3.37Å; S28-M280 VanDerWaalsContact OG-N 3.12Å; S28-M280 PolarHBondContact OG-O 3.49Å
29	P	73.4	Confident	60.8	Low	93 Å²	93	93.7 Å²	93.7	60%	0.604	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-60.4	146.5	179.7	23.8	-32.1	0	0	0	110.3	M31	P29-M31 WeakPolarHBondContact O-CG 3.16Å; P29-M31 PolarHBondContact O-N 3.03Å
30	A	78.4	Confident	61.7	Low	19 Å²	19	94.2 Å²	94.2	16%	0.157	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-70.8	116.8	-178.7	0	0	0	0	0	111.7	R277 Y278 V279 L288	A30-R277 PolarHBondContact O-NH2 3.15Å; A30-Y278 CarbonylContact C-O 3.56Å; A30-Y278 WeakPolarHBondContact CA-O 3.36Å; A30-V279 HydrophobicContact CB-CG2 3.78Å; A30-L288 HydrophobicContact CB-CD1 4.38Å; A30-L288 HydrophobicContact CB-CD2 3.78Å
31	M	84.1	Confident	62.3	Low	89 Å²	89	92.3 Å²	92.3	44%	0.438	55%	0.55	S	S	.	.	B	Isolated β-bridge	trans	-102	163.9	-176.8	-60.4	-178	74.7	0	0	111.7	P29 E255 R277 Y278	P29-M31 WeakPolarHBondContact O-CG 3.16Å; P29-M31 PolarHBondContact O-N 3.03Å; M31-E255 VanDerWaalsContact SD-OE1 3.36Å; M31-R277 CarbonylContact O-C 3.59Å; M31-R277 WeakPolarHBondContact O-CA 3.41Å; M31-Y278 HydrophobicContact CB-CD1 4.36Å; M31-Y278 HydrophobicContact CB-CE1 3.71Å; M31-Y278 PolarHBondContact N-O 2.98Å; M31-Y278 VanDerWaalsContact O-CD1 3.24Å; M31-Y278 WeakPolarHBondContact O-CD1 3.44Å; M31-Y278 PolarHBondContact O-N 2.91Å
32	V	84.3	Confident	62.7	Low	90 Å²	90	92.4 Å²	92.4	55%	0.545	55%	0.55	S	S	.	*			trans	-118.6	124.4	170	-179.5	0	0	0	0	107.5	R277	V32-R277 HydrophobicContact CG2-CG 3.58Å
33	P	85	Confident	62.8	Low	5 Å²	5	91.8 Å²	91.8	3%	0.032	54%	0.544	C	S	.	.			trans	-82.4	145.6	-179.2	37.5	-33.7	0	0	0	109.1	I252 A254 F264 L273 C276 Y278	P33-I252 HydrophobicContact CB-CG2 3.67Å; P33-I252 HydrophobicContact CG-CG2 4.23Å; P33-A254 HydrophobicContact CB-CB 3.76Å; P33-F264 HydrophobicContact CB-CD1 4.29Å; P33-F264 HydrophobicContact CB-CE1 3.83Å; P33-F264 HydrophobicContact CG-CD1 4.19Å; P33-F264 HydrophobicContact CG-CE1 3.85Å; P33-L273 WeakPolarHBondContact CD-O 3.36Å; P33-L273 WeakPolarHBondContact CG-O 3.45Å; P33-C276 WeakPolarHBondContact CD-O 3.48Å; P33-Y278 HydrophobicContact CB-CD1 4.46Å; P33-Y278 HydrophobicContact CB-CE1 3.85Å; P33-Y278 HydrophobicContact CG-CD1 4.11Å; P33-Y278 HydrophobicContact CG-CE1 3.99Å
34	H	84.6	Confident	63	Low	124 Å²	124	94.9 Å²	94.9	57%	0.574	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.4	134.4	-176.9	-166.2	-94.5	0	0	0	110.2	S36 I252 E253	H34-S36 PolarHBondContact ND1-OG 3.17Å; H34-I252 WeakPolarHBondContact O-CA 3.3Å; H34-E253 PolarHBondContact N-O 2.92Å; H34-E253 PolarHBondContact O-N 3.11Å
35	K	83	Confident	62.6	Low	105 Å²	105	102.3 Å²	102.3	46%	0.457	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	108.6	166.3	-77.4	-171.6	179.9	-179.5	0	108.1	G274	K35-G274 WeakPolarHBondContact CE-O 3.39Å
36	S	83.3	Confident	62.2	Low	16 Å²	16	108.7 Å²	108.7	11%	0.112	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	124.7	177.9	-65.7	0	0	0	0	109.5	H34 E250 C251 E253	H34-S36 PolarHBondContact ND1-OG 3.17Å; S36-E250 WeakPolarHBondContact O-CA 3.4Å; S36-C251 PolarHBondContact N-O 2.71Å; S36-C251 PolarHBondContact O-N 2.93Å; S36-C251 VanDerWaalsContact O-N 3.08Å; S36-E253 VanDerWaalsContact CB-OE1 3.23Å; S36-E253 WeakPolarHBondContact CB-OE1 3.34Å; S36-E253 PolarHBondContact OG-OE1 3.05Å
37	R	79.4	Confident	61.1	Low	194 Å²	194	110 Å²	110	73%	0.732	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.8	124.5	166.9	-90.7	-177.2	179.5	-173.3	-1.9	109.2	L39 D249 E250	R37-L39 PolarHBondContact O-N 3.21Å; R37-D249 CarbonylContact C-O 3.51Å; R37-D249 WeakPolarHBondContact CA-O 3.23Å; R37-E250 HydrophobicContact CG-CG 3.55Å; R37-E250 IonicContact CZ-OE1 3.54Å; R37-E250 IonicContact NE-OE1 2.75Å; R37-E250 PolarHBondContact NE-OE1 3.32Å; R37-E250 IonicContact NH2-OE1 3.3Å; R37-E250 PolarHBondContact NH2-OE1 2.93Å
38	F	77	Confident	59.8	Low	62 Å²	62	118.9 Å²	118.9	27%	0.272	59%	0.591	S	S	.	*			trans	-77.3	115.3	168.6	-61.6	-71.8	0	0	0	108.1	P237 D249 C251	F38-P237 HydrophobicContact CE1-CG 4.03Å; F38-P237 HydrophobicContact CE2-CG 3.78Å; F38-P237 HydrophobicContact CZ-CB 4.09Å; F38-P237 HydrophobicContact CZ-CG 3.39Å; F38-D249 PolarHBondContact N-O 2.97Å; F38-C251 HydrophobicContact CE2-CB 3.86Å; F38-C251 WeakPolarHBondContact CE2-SG 3.42Å; F38-C251 HydrophobicContact CZ-CB 4.37Å; F38-C251 WeakPolarHBondContact CZ-SG 3.4Å
39	L	54.7	Low	58	Low	156 Å²	156	128.5 Å²	128.5	82%	0.817	62%	0.621	S	S	*	*			trans	-61.4	134.5	163.1	-67.2	175	0	0	0	107.1	R37 A41	R37-L39 PolarHBondContact O-N 3.21Å; L39-A41 PolarHBondContact O-N 2.78Å; L39-A41 VanDerWaalsContact O-N 3.11Å
40	P	50.9	Low	56	Low	111 Å²	111	128.4 Å²	128.4	72%	0.721	63%	0.628	S	S	*	*			trans	-52.5	127.7	170.2	21.9	-30.3	0	0	0	106.5	E42	P40-E42 VanDerWaalsContact C-N 3.3Å; P40-E42 PolarHBondContact O-N 3.07Å
41	A	46.3	Very low	53.9	Low	98 Å²	98	133.6 Å²	133.6	81%	0.81	66%	0.66	S	S	*	*			trans	-55.8	101.9	178	0	0	0	0	0	106.9	L39 G43	L39-A41 PolarHBondContact O-N 2.78Å; L39-A41 VanDerWaalsContact O-N 3.11Å; A41-G43 PolarHBondContact O-N 3.25Å
42	E	33.7	Very low	51.2	Low	184 Å²	184	137.8 Å²	137.8	86%	0.86	68%	0.683	S	S	*	*			trans	-56.2	111.6	173.1	-77.6	-160.5	127.8	0	0	104.8	P40 Q44	P40-E42 VanDerWaalsContact C-N 3.3Å; P40-E42 PolarHBondContact O-N 3.07Å; E42-Q44 PolarHBondContact O-N 3.27Å
43	G	35.4	Very low	48.9	Very low	61 Å²	61	139.2 Å²	139.2	63%	0.629	70%	0.697	S	S	*	*			trans	-48	122.4	-179.6	0	0	0	0	0	106.8	A41 R45	A41-G43 PolarHBondContact O-N 3.25Å; G43-R45 PolarHBondContact O-N 3.46Å
44	Q	35.5	Very low	46.5	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	73%	0.732	S	S	*	*			trans	-55.8	89.2	171.8	-86.7	167.4	-19.6	0	0	107.6	E42 R46	E42-Q44 PolarHBondContact O-N 3.27Å; Q44-R46 PolarHBondContact O-N 3.23Å
45	R	28.3	Very low	43.8	Very low	252 Å²	252	142.8 Å²	142.8	95%	0.951	74%	0.742	S	S	*	*			trans	-69.5	74.4	160.6	-78.1	-174.2	172	-122.3	2.6	105.6	G43	G43-R45 PolarHBondContact O-N 3.46Å
46	R	35.6	Very low	41.4	Very low	213 Å²	213	143.1 Å²	143.1	80%	0.804	76%	0.757	S	S	*	*			trans	-101.4	104.3	165.9	-77.6	-170.4	172	-158.8	-0.4	108.4	Q44	Q44-R46 PolarHBondContact O-N 3.23Å
47	N	30.1	Very low	39.1	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	79%	0.791	S	S	*	*			trans	28.1	96.1	156.1	-73.4	-22.7	0	0	0	117.7	R49	N47-R49 PolarHBondContact O-N 2.84Å; N47-R49 VanDerWaalsContact O-N 3.08Å
48	R	27.1	Very low	36.6	Very low	252 Å²	252	142.3 Å²	142.3	95%	0.951	79%	0.793	S	S	*	*			trans	-62.8	100.9	151.3	-74.2	-176.7	173.1	-170.6	-2.1	109.7
49	R	28.9	Very low	34.4	Very low	245 Å²	245	151.1 Å²	151.1	93%	0.925	83%	0.825	S	S	*	*			trans	-139.2	89.6	144	-81.4	-167.6	178.1	-159	-0.2	107.9	N47	N47-R49 PolarHBondContact O-N 2.84Å; N47-R49 VanDerWaalsContact O-N 3.08Å
50	A	31.4	Very low	33.2	Very low	91 Å²	91	147.2 Å²	147.2	75%	0.752	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-98.8	132.9	158	0	0	0	0	0	107.2
51	P	33.1	Very low	32.2	Very low	127 Å²	127	152.4 Å²	152.4	83%	0.825	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.7	139.4	170	26.6	-21.6	0	0	0	110.2
52	L	27.1	Very low	31.4	Very low	177 Å²	177	156.9 Å²	156.9	93%	0.927	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.6	122.3	176.1	-67.8	159.7	0	0	0	110.7
53	S	37.3	Very low	31.1	Very low	120 Å²	120	157.1 Å²	157.1	84%	0.839	84%	0.836	S	S	*	*			trans	179.5	145.8	147.6	55.9	0	0	0	0	107.6
54	A	33.3	Very low	30.9	Very low	93 Å²	93	160.3 Å²	160.3	77%	0.769	84%	0.844	S	S	*	*			cis	-151.9	156.1	-17.9	0	0	0	0	0	106.1
55	S	27.6	Very low	30.8	Very low	112 Å²	112	156.4 Å²	156.4	78%	0.783	84%	0.841	S	S	*	*			trans	-35.3	134.5	168.3	46.5	0	0	0	0	116.5
56	S	33.9	Very low	31.1	Very low	111 Å²	111	153 Å²	153	78%	0.776	84%	0.835	S	S	*	*				-175.5	125.2	115.2	43.1	0	0	0	0	113.4
57	S	34.4	Very low	31	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	84%	0.839	S	S	*	*			trans	65.1	98.9	137.4	-51.8	0	0	0	0	119.7
58	G	26.4	Very low	31.4	Very low	76 Å²	76	155.2 Å²	155.2	78%	0.784	84%	0.844	S	S	*	*			trans	-65.5	145	157.4	0	0	0	0	0	112.4
59	R	32.3	Very low	32	Very low	248 Å²	248	148 Å²	148	94%	0.936	83%	0.833	S	S	*	*			trans	-140.8	130.2	153.2	-76.2	-166.9	173.6	-153.1	-2.1	109
60	G	28.7	Very low	32.4	Very low	73 Å²	73	142 Å²	142	75%	0.753	82%	0.823	S	S	*	*			trans	-65.3	153.6	-179.7	0	0	0	0	0	112.7	K62	G60-K62 PolarHBondContact O-N 3.22Å; G60-K62 VanDerWaalsContact O-N 3.17Å
61	F	29.2	Very low	33.3	Very low	221 Å²	221	142.6 Å²	142.6	97%	0.969	82%	0.822	S	S	*	*			trans	-67.2	106.9	170.6	-139.7	-101.7	0	0	0	107.9
62	K	29.6	Very low	33.7	Very low	191 Å²	191	144 Å²	144	83%	0.83	82%	0.822	S	S	*	*			trans	-103.9	122.9	165.2	-93.4	-172.4	174.2	-174.8	0	108.1	G60 T64	G60-K62 PolarHBondContact O-N 3.22Å; G60-K62 VanDerWaalsContact O-N 3.17Å; K62-T64 PolarHBondContact O-N 2.67Å
63	E	27.2	Very low	35	Very low	189 Å²	189	142 Å²	142	88%	0.883	81%	0.812	S	S	*	*			trans	-58.9	119.7	164.3	-169.7	172.2	-172.2	0	0	109.5
64	T	32.4	Very low	35.5	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	82%	0.815	S	S	*	*			trans	-142.5	107.2	166.2	45.7	0	0	0	0	109.7	K62	K62-T64 PolarHBondContact O-N 2.67Å
65	A	31.9	Very low	36.6	Very low	90 Å²	90	144.6 Å²	144.6	74%	0.744	81%	0.812	S	S	*	*			trans	-66.8	125.7	159	0	0	0	0	0	109
66	H	36.7	Very low	37.7	Very low	179 Å²	179	142.6 Å²	142.6	83%	0.829	81%	0.809	S	S	*	*			trans	-161.8	109.7	149.8	-104.9	-76.2	0	0	0	110.9
67	R	32.5	Very low	38.6	Very low	237 Å²	237	141 Å²	141	89%	0.894	80%	0.797	S	S	*	*			trans	11.1	117.2	147	-63.7	-177.9	175.9	178	-2.2	117.8
68	L	38.5	Very low	39.7	Very low	182 Å²	182	136.5 Å²	136.5	95%	0.953	77%	0.767	S	S	*	*			trans	-118.9	137	145.6	-83.6	160.8	0	0	0	109.1
69	S	39.4	Very low	41.3	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	76%	0.764	S	S	*	*			trans	-87.5	133.5	-172.9	-167.6	0	0	0	0	110.5
70	T	36.6	Very low	43.1	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	75%	0.753	S	S	*	*			trans	56.4	106.4	140.5	59.7	0	0	0	0	119.8
71	S	50.6	Low	45.8	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	75%	0.745	S	S	*	*				-145.5	129	118.1	60.3	0	0	0	0	109.4	D73	S71-D73 PolarHBondContact O-N 3.49Å
72	D	42.9	Very low	48.8	Very low	157 Å²	157	127.4 Å²	127.4	84%	0.84	70%	0.701	S	S	*	*			trans	-75.1	97.7	178	-61.5	-49.5	0	0	0	109.7
73	D	54	Low	51.8	Low	134 Å²	134	120 Å²	120	72%	0.717	68%	0.675	S	S	*	*			trans	-112	94.1	162.4	-75	-36.1	0	0	0	108.3	S71 S75	S71-D73 PolarHBondContact O-N 3.49Å; D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.87Å
74	D	48.5	Very low	55	Low	167 Å²	167	113.1 Å²	113.1	89%	0.893	64%	0.641	S	S	*	*			trans	-59.4	84.4	167.3	-177.7	24.3	0	0	0	110
75	S	54.8	Low	57.9	Low	101 Å²	101	108.2 Å²	108.2	71%	0.706	61%	0.611	S	S	*	*			trans	-124.3	105.4	168.7	-72.3	0	0	0	0	107	D73 C77	D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.87Å; S75-C77 PolarHBondContact O-N 3.4Å
76	G	51.9	Low	60.7	Low	70 Å²	70	104.1 Å²	104.1	72%	0.722	58%	0.577	S	S	*	*			trans	-34.4	131.1	-175.9	0	0	0	0	0	113	A78	G76-A78 PolarHBondContact O-N 2.79Å
77	C	53	Low	63.1	Low	78 Å²	78	100.1 Å²	100.1	53%	0.527	57%	0.569	S	S	.	*			trans	-54.8	98.3	-174.9	-65.5	0	0	0	0	109.9	S75 L79 E80	S75-C77 PolarHBondContact O-N 3.4Å; C77-L79 PolarHBondContact O-N 2.85Å; C77-E80 HydrophobicContact CB-CG 3.81Å; C77-E80 WeakPolarHBondContact O-CB 3.24Å; C77-E80 PolarHBondContact O-N 3.48Å
78	A	57.7	Low	65.4	Low	23 Å²	23	92.6 Å²	92.6	19%	0.19	57%	0.566	C	S	.	*	H	α-helix	trans	-54.7	-20.4	177	0	0	0	0	0	112.4	G76 E80 E81 Y82 V92	G76-A78 PolarHBondContact O-N 2.79Å; A78-E80 PolarHBondContact O-N 3.25Å; A78-E81 PolarHBondContact O-N 3.1Å; A78-Y82 VanDerWaalsContact O-CD2 3.3Å; A78-Y82 WeakPolarHBondContact O-CD2 3.48Å; A78-Y82 PolarHBondContact O-N 3.01Å; A78-V92 HydrophobicContact CB-CG2 3.74Å
79	L	58.8	Low	67.4	Low	135 Å²	135	84.7 Å²	84.7	71%	0.707	52%	0.524	S	S	*	.	H	α-helix	trans	-68.3	-17.8	173.2	-65.5	171.2	0	0	0	114.2	C77 V85	C77-L79 PolarHBondContact O-N 2.85Å; L79-V85 HydrophobicContact CD2-CG2 3.86Å
80	E	69.3	Low	69.4	Low	154 Å²	154	87.3 Å²	87.3	72%	0.72	53%	0.525	S	S	*	.	H	α-helix	trans	-81.1	-26.7	177.3	-66.1	-177.5	175	0	0	112.4	C77 A78	C77-E80 HydrophobicContact CB-CG 3.81Å; C77-E80 WeakPolarHBondContact O-CB 3.24Å; C77-E80 PolarHBondContact O-N 3.48Å; A78-E80 PolarHBondContact O-N 3.25Å
81	E	86.7	Confident	71.5	Confident	122 Å²	122	84.6 Å²	84.6	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-94	-32.4	-176.9	-65.6	-177.2	172.9	0	0	113.5	A78 Y106 V107	A78-E81 PolarHBondContact O-N 3.1Å; E81-Y106 CarbonylContact O-C 3.58Å; E81-Y106 VanDerWaalsContact O-CA 3.29Å; E81-Y106 WeakPolarHBondContact O-CA 3.04Å; E81-V107 PolarHBondContact O-N 2.84Å
82	Y	92.1	Very high	73.4	Confident	16 Å²	16	80 Å²	80	6%	0.063	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-113.7	133.3	-174.4	-56.9	-89.3	0	0	0	112	A78 W84 V85 V92 F96 I104 P105 Y106	A78-Y82 VanDerWaalsContact O-CD2 3.3Å; A78-Y82 WeakPolarHBondContact O-CD2 3.48Å; A78-Y82 PolarHBondContact O-N 3.01Å; Y82-W84 PolarHBondContact O-N 2.67Å; Y82-V85 HydrophobicContact CD2-CG1 4.2Å; Y82-V85 HydrophobicContact CG-CG1 4.17Å; Y82-V92 HydrophobicContact CD2-CG2 4.14Å; Y82-V92 HydrophobicContact CE2-CG2 3.85Å; Y82-F96 AromaticContact CD1-CD2 3.67Å; Y82-F96 HydrophobicContact CD1-CD2 3.67Å; Y82-F96 AromaticContact CD1-CE2 3.47Å; Y82-F96 HydrophobicContact CD1-CE2 3.47Å; Y82-F96 VanDerWaalsContact CD1-CE2 3.47Å; Y82-F96 HydrophobicContact CD1-CG 4.32Å; Y82-F96 HydrophobicContact CD1-CZ 4Å; Y82-F96 HydrophobicContact CD2-CE2 4.26Å; Y82-F96 HydrophobicContact CE1-CB 4.35Å; Y82-F96 AromaticContact CE1-CD2 3.29Å; Y82-F96 HydrophobicContact CE1-CD2 3.29Å; Y82-F96 AromaticContact CE1-CE2 3.63Å; Y82-F96 HydrophobicContact CE1-CE2 3.63Å; Y82-F96 AromaticContact CE1-CG 3.86Å; Y82-F96 HydrophobicContact CE1-CG 3.86Å; Y82-F96 HydrophobicContact CE1-CZ 4.45Å; Y82-F96 HydrophobicContact CE2-CD2 4.37Å; Y82-F96 HydrophobicContact CE2-CE2 4.45Å; Y82-F96 HydrophobicContact CG-CD2 4.33Å; Y82-F96 AromaticContact CG-CE2 3.82Å; Y82-F96 HydrophobicContact CG-CE2 3.82Å; Y82-F96 HydrophobicContact CG-CZ 4.43Å; Y82-F96 AromaticContact CZ-CD2 3.71Å; Y82-I104 HydrophobicContact CD1-CG2 4.11Å; Y82-I104 HydrophobicContact CE1-CG2 3.72Å; Y82-P105 CarbonylContact C-O 3.54Å; Y82-P105 WeakPolarHBondContact CA-O 3.48Å; Y82-Y106 AromaticContact CD1-CD1 3.85Å; Y82-Y106 HydrophobicContact CD1-CD1 3.85Å; Y82-Y106 AromaticContact CD1-CE1 3.98Å; Y82-Y106 HydrophobicContact CD1-CE1 3.98Å; Y82-Y106 AromaticContact CE1-CD1 3.58Å; Y82-Y106 HydrophobicContact CE1-CD1 3.58Å; Y82-Y106 AromaticContact CE1-CE1 3.21Å; Y82-Y106 HydrophobicContact CE1-CE1 3.21Å; Y82-Y106 HydrophobicContact CE1-CG 4.48Å; Y82-Y106 AromaticContact CE1-CZ 3.87Å; Y82-Y106 HydrophobicContact CE2-CE1 4.45Å; Y82-Y106 AromaticContact CZ-CE1 3.48Å; Y82-Y106 VanDerWaalsContact CZ-CE1 3.48Å; Y82-Y106 WeakPolarHBondContact OH-CE1 3.47Å
83	A	93.3	Very high	75.5	Confident	34 Å²	34	77.5 Å²	77.5	28%	0.281	46%	0.46	S	S	.	.	S	Bend	trans	-68.2	-11.6	173.5	0	0	0	0	0	113.5	P105 V107 E112	A83-P105 HydrophobicContact CB-CB 4.5Å; A83-P105 PolarHBondContact N-O 2.7Å; A83-V107 HydrophobicContact CB-CG2 4.47Å; A83-E112 HydrophobicContact CB-CB 4.33Å; A83-E112 HydrophobicContact CB-CG 3.8Å; A83-E112 WeakPolarHBondContact CB-OE1 3.36Å
84	W	94.2	Very high	77.2	Confident	46 Å²	46	74.3 Å²	74.3	17%	0.174	44%	0.441	C	S	.	.			trans	-163.9	146.5	172.3	174.5	86.8	0	0	0	110.6	Y82 P86 Y95 F96 D215 L216	Y82-W84 PolarHBondContact O-N 2.67Å; W84-P86 HydrophobicContact CH2-CB 4.07Å; W84-P86 HydrophobicContact CH2-CG 3.66Å; W84-P86 HydrophobicContact CZ3-CG 3.84Å; W84-Y95 HydrophobicContact CZ3-CE1 4.34Å; W84-F96 HydrophobicContact CE3-CZ 4.41Å; W84-F96 WeakPolarHBondContact O-CZ 3.33Å; W84-D215 HydrophobicContact CD2-CB 4.4Å; W84-D215 HydrophobicContact CZ2-CB 3.77Å; W84-L216 HydrophobicContact CH2-CD1 4.1Å; W84-L216 HydrophobicContact CH2-CG 3.97Å
85	V	93	Very high	79.4	Confident	26 Å²	26	66.9 Å²	66.9	16%	0.158	40%	0.4	C	S	.	.			trans	-135.5	147.4	174.2	-61.2	0	0	0	0	110.9	L79 Y82 S87 V92 F96	L79-V85 HydrophobicContact CD2-CG2 3.86Å; Y82-V85 HydrophobicContact CD2-CG1 4.2Å; Y82-V85 HydrophobicContact CG-CG1 4.17Å; V85-S87 PolarHBondContact O-N 2.9Å; V85-V92 HydrophobicContact CB-CG1 4Å; V85-V92 HydrophobicContact CG1-CB 4.47Å; V85-V92 HydrophobicContact CG1-CG1 4.16Å; V85-V92 HydrophobicContact CG1-CG2 4.29Å; V85-F96 HydrophobicContact CG1-CE2 4.14Å; V85-F96 HydrophobicContact CG1-CZ 4.46Å
86	P	91.1	Very high	81.3	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.026	37%	0.367	C	S	.	.			trans	-60.1	134.7	171	-19.5	29.7	0	0	0	111.8	W84 L89 Y95 V161 L216	W84-P86 HydrophobicContact CH2-CB 4.07Å; W84-P86 HydrophobicContact CH2-CG 3.66Å; W84-P86 HydrophobicContact CZ3-CG 3.84Å; P86-L89 HydrophobicContact CB-CB 4.43Å; P86-L89 HydrophobicContact CG-CD2 4.48Å; P86-Y95 HydrophobicContact CG-CD1 3.65Å; P86-Y95 HydrophobicContact CG-CD2 4.4Å; P86-Y95 HydrophobicContact CG-CE1 3.76Å; P86-Y95 HydrophobicContact CG-CE2 4.49Å; P86-Y95 HydrophobicContact CG-CG 4Å; P86-V161 HydrophobicContact CB-CG2 3.83Å; P86-V161 HydrophobicContact CG-CG2 4.17Å; P86-L216 HydrophobicContact CB-CD1 4.04Å; P86-L216 HydrophobicContact CG-CD1 4.38Å
87	S	86.8	Confident	83.2	Confident	94 Å²	94	62.7 Å²	62.7	66%	0.657	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	137	178.5	-56.5	0	0	0	0	112.1	V85 L89	V85-S87 PolarHBondContact O-N 2.9Å; S87-L89 VanDerWaalsContact C-N 3.28Å; S87-L89 PolarHBondContact O-N 3.26Å
88	G	80	Confident	85.1	Confident	80 Å²	80	64 Å²	64	83%	0.825	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	10	172	0	0	0	0	0	115.3
89	L	81.4	Confident	86.9	Confident	15 Å²	15	64 Å²	64	8%	0.079	35%	0.35	C	S	.	.			trans	-104.7	120	177.4	-174.2	74.4	0	0	0	111.1	P86 S87 V92 Y95 V161 L186	P86-L89 HydrophobicContact CB-CB 4.43Å; P86-L89 HydrophobicContact CG-CD2 4.48Å; S87-L89 VanDerWaalsContact C-N 3.28Å; S87-L89 PolarHBondContact O-N 3.26Å; L89-V92 WeakPolarHBondContact O-CG1 3.46Å; L89-Y95 VanDerWaalsContact CD2-CB 3.42Å; L89-Y95 HydrophobicContact CD2-CG 4.24Å; L89-V161 HydrophobicContact CD1-CG1 4.1Å; L89-V161 HydrophobicContact CD2-CB 4.44Å; L89-V161 HydrophobicContact CD2-CG1 4.02Å; L89-L186 HydrophobicContact CD1-CD1 4.06Å
90	H	79.8	Confident	88.6	Confident	157 Å²	157	60.4 Å²	60.4	73%	0.727	33%	0.334	S	S	*	.	S	Bend	trans	-140.1	130.3	167.3	-69.1	-84.5	0	0	0	109.6
91	P	82.5	Confident	89.8	Confident	61 Å²	61	60.9 Å²	60.9	40%	0.396	34%	0.337	S	S	.	.	S	Bend	cis	-83	139.1	-1.1	34.3	-34.9	0	0	0	113.3	H93 Q94	P91-H93 VanDerWaalsContact C-N 3.33Å; P91-H93 WeakPolarHBondContact CB-ND1 3.36Å; P91-H93 VanDerWaalsContact CG-CE1 3.49Å; P91-H93 WeakPolarHBondContact CG-CE1 3.46Å; P91-H93 PolarHBondContact O-N 3.06Å; P91-Q94 HydrophobicContact CG-CG 4.25Å
92	V	88.6	Confident	90.2	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.036	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.3	-173.8	-61.4	0	0	0	0	114.5	A78 Y82 V85 L89 Q94 Y95 F96	A78-V92 HydrophobicContact CB-CG2 3.74Å; Y82-V92 HydrophobicContact CD2-CG2 4.14Å; Y82-V92 HydrophobicContact CE2-CG2 3.85Å; V85-V92 HydrophobicContact CB-CG1 4Å; V85-V92 HydrophobicContact CG1-CB 4.47Å; V85-V92 HydrophobicContact CG1-CG1 4.16Å; V85-V92 HydrophobicContact CG1-CG2 4.29Å; L89-V92 WeakPolarHBondContact O-CG1 3.46Å; V92-Q94 PolarHBondContact O-N 2.89Å; V92-Q94 VanDerWaalsContact O-N 3.13Å; V92-Y95 WeakPolarHBondContact O-CB 3.28Å; V92-Y95 PolarHBondContact O-N 2.82Å; V92-F96 HydrophobicContact CB-CD2 4.33Å; V92-F96 HydrophobicContact CB-CE2 4.13Å; V92-F96 HydrophobicContact CG2-CD2 4.38Å; V92-F96 HydrophobicContact CG2-CE2 4.24Å; V92-F96 PolarHBondContact O-N 2.71Å
93	H	88.9	Confident	90.4	Very high	104 Å²	104	60.5 Å²	60.5	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-32.4	-178.5	76.4	-96.2	0	0	0	111.9	P91 Y95 F96 S97	P91-H93 VanDerWaalsContact C-N 3.33Å; P91-H93 WeakPolarHBondContact CB-ND1 3.36Å; P91-H93 VanDerWaalsContact CG-CE1 3.49Å; P91-H93 WeakPolarHBondContact CG-CE1 3.46Å; P91-H93 PolarHBondContact O-N 3.06Å; H93-Y95 VanDerWaalsContact C-N 3.25Å; H93-Y95 PolarHBondContact O-N 3.26Å; H93-F96 PolarHBondContact O-N 3Å; H93-S97 WeakPolarHBondContact O-CB 3.31Å; H93-S97 PolarHBondContact O-N 3.32Å; H93-S97 PolarHBondContact O-OG 3.47Å
94	Q	89.2	Confident	90.5	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-34.1	179.1	-66.2	-176.3	-1	0	0	111.7	P91 V92 S97 R98	P91-Q94 HydrophobicContact CG-CG 4.25Å; V92-Q94 PolarHBondContact O-N 2.89Å; V92-Q94 VanDerWaalsContact O-N 3.13Å; Q94-S97 PolarHBondContact O-OG 3.06Å; Q94-R98 WeakPolarHBondContact O-CG 3.26Å
95	Y	93.6	Very high	90.6	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-72	-51.7	174.3	174	-98.2	0	0	0	111.7	W84 P86 L89 V92 H93 S97 R98 L99 V161 L186 V188 P201 L216	W84-Y95 HydrophobicContact CZ3-CE1 4.34Å; P86-Y95 HydrophobicContact CG-CD1 3.65Å; P86-Y95 HydrophobicContact CG-CD2 4.4Å; P86-Y95 HydrophobicContact CG-CE1 3.76Å; P86-Y95 HydrophobicContact CG-CE2 4.49Å; P86-Y95 HydrophobicContact CG-CG 4Å; L89-Y95 VanDerWaalsContact CD2-CB 3.42Å; L89-Y95 HydrophobicContact CD2-CG 4.24Å; V92-Y95 WeakPolarHBondContact O-CB 3.28Å; V92-Y95 PolarHBondContact O-N 2.82Å; H93-Y95 VanDerWaalsContact C-N 3.25Å; H93-Y95 PolarHBondContact O-N 3.26Å; Y95-S97 VanDerWaalsContact C-N 3.26Å; Y95-S97 PolarHBondContact O-N 3.35Å; Y95-R98 WeakPolarHBondContact O-CB 3.31Å; Y95-R98 PolarHBondContact O-N 2.88Å; Y95-L99 HydrophobicContact CD1-CD1 4.42Å; Y95-L99 HydrophobicContact CE1-CD1 3.69Å; Y95-L99 HydrophobicContact CE1-CG 4.4Å; Y95-V161 HydrophobicContact CD2-CG1 3.82Å; Y95-V161 HydrophobicContact CD2-CG2 3.89Å; Y95-V161 HydrophobicContact CE2-CG1 4.48Å; Y95-V161 HydrophobicContact CE2-CG2 3.84Å; Y95-L186 HydrophobicContact CD2-CD2 4Å; Y95-L186 HydrophobicContact CG-CD2 4.35Å; Y95-V188 HydrophobicContact CE2-CG2 4.5Å; Y95-P201 HydrophobicContact CD2-CB 3.96Å; Y95-P201 HydrophobicContact CD2-CG 4.03Å; Y95-P201 HydrophobicContact CE2-CB 3.69Å; Y95-P201 HydrophobicContact CE2-CG 4.16Å; Y95-L216 HydrophobicContact CE2-CD2 4.44Å; Y95-L216 WeakPolarHBondContact OH-CD2 3.47Å
96	F	94.5	Very high	90.7	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-30.5	-176.5	-68.8	-57.9	0	0	0	113	Y82 W84 V85 V92 H93 R98 L99 I104 P105	Y82-F96 AromaticContact CD1-CD2 3.67Å; Y82-F96 HydrophobicContact CD1-CD2 3.67Å; Y82-F96 AromaticContact CD1-CE2 3.47Å; Y82-F96 HydrophobicContact CD1-CE2 3.47Å; Y82-F96 VanDerWaalsContact CD1-CE2 3.47Å; Y82-F96 HydrophobicContact CD1-CG 4.32Å; Y82-F96 HydrophobicContact CD1-CZ 4Å; Y82-F96 HydrophobicContact CD2-CE2 4.26Å; Y82-F96 HydrophobicContact CE1-CB 4.35Å; Y82-F96 AromaticContact CE1-CD2 3.29Å; Y82-F96 HydrophobicContact CE1-CD2 3.29Å; Y82-F96 AromaticContact CE1-CE2 3.63Å; Y82-F96 HydrophobicContact CE1-CE2 3.63Å; Y82-F96 AromaticContact CE1-CG 3.86Å; Y82-F96 HydrophobicContact CE1-CG 3.86Å; Y82-F96 HydrophobicContact CE1-CZ 4.45Å; Y82-F96 HydrophobicContact CE2-CD2 4.37Å; Y82-F96 HydrophobicContact CE2-CE2 4.45Å; Y82-F96 HydrophobicContact CG-CD2 4.33Å; Y82-F96 AromaticContact CG-CE2 3.82Å; Y82-F96 HydrophobicContact CG-CE2 3.82Å; Y82-F96 HydrophobicContact CG-CZ 4.43Å; Y82-F96 AromaticContact CZ-CD2 3.71Å; W84-F96 HydrophobicContact CE3-CZ 4.41Å; W84-F96 WeakPolarHBondContact O-CZ 3.33Å; V85-F96 HydrophobicContact CG1-CE2 4.14Å; V85-F96 HydrophobicContact CG1-CZ 4.46Å; V92-F96 HydrophobicContact CB-CD2 4.33Å; V92-F96 HydrophobicContact CB-CE2 4.13Å; V92-F96 HydrophobicContact CG2-CD2 4.38Å; V92-F96 HydrophobicContact CG2-CE2 4.24Å; V92-F96 PolarHBondContact O-N 2.71Å; H93-F96 PolarHBondContact O-N 3Å; F96-R98 PolarHBondContact O-N 3.47Å; F96-L99 HydrophobicContact CD1-CD1 4.16Å; F96-L99 PolarHBondContact O-N 3.31Å; F96-I104 HydrophobicContact CB-CD1 4.23Å; F96-I104 HydrophobicContact CB-CG1 4.25Å; F96-I104 HydrophobicContact CB-CG2 3.87Å; F96-I104 HydrophobicContact CD1-CG2 3.9Å; F96-I104 HydrophobicContact CG-CG2 3.89Å; F96-I104 WeakPolarHBondContact O-CD1 2.82Å; F96-P105 HydrophobicContact CE1-CG 3.81Å; F96-P105 HydrophobicContact CZ-CG 4.02Å
97	S	92.5	Very high	90.9	Very high	80 Å²	80	63.4 Å²	63.4	56%	0.559	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.1	172.4	73.2	0	0	0	0	114.4	H93 Q94 Y95	H93-S97 WeakPolarHBondContact O-CB 3.31Å; H93-S97 PolarHBondContact O-N 3.32Å; H93-S97 PolarHBondContact O-OG 3.47Å; Q94-S97 PolarHBondContact O-OG 3.06Å; Y95-S97 VanDerWaalsContact C-N 3.26Å; Y95-S97 PolarHBondContact O-N 3.35Å
98	R	93.5	Very high	91.2	Very high	106 Å²	106	67.6 Å²	67.6	40%	0.4	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.3	177.7	-51.3	-56.1	178.1	92.3	-0.9	113	Q94 Y95 F96 P201	Q94-R98 WeakPolarHBondContact O-CG 3.26Å; Y95-R98 WeakPolarHBondContact O-CB 3.31Å; Y95-R98 PolarHBondContact O-N 2.88Å; F96-R98 PolarHBondContact O-N 3.47Å; R98-P201 HydrophobicContact CB-CB 3.91Å; R98-P201 HydrophobicContact CB-CG 3.99Å; R98-P201 HydrophobicContact CG-CG 4.22Å
99	L	94.5	Very high	92	Very high	22 Å²	22	65.1 Å²	65.1	12%	0.115	32%	0.324	C	S	.	.	S	Bend	trans	-107.3	155.9	179.2	-57.6	-171.6	0	0	0	110.8	Y95 F96 I104 P201 L212	Y95-L99 HydrophobicContact CD1-CD1 4.42Å; Y95-L99 HydrophobicContact CE1-CD1 3.69Å; Y95-L99 HydrophobicContact CE1-CG 4.4Å; F96-L99 HydrophobicContact CD1-CD1 4.16Å; F96-L99 PolarHBondContact O-N 3.31Å; L99-I104 HydrophobicContact CB-CG1 4.41Å; L99-P201 HydrophobicContact CD2-CB 4.07Å; L99-L212 HydrophobicContact CD1-CD1 4.44Å; L99-L212 HydrophobicContact CD2-CD1 4.07Å; L99-L212 HydrophobicContact CD2-CD2 4.31Å
100	P	94.9	Very high	92.7	Very high	59 Å²	59	67.4 Å²	67.4	38%	0.383	35%	0.345	S	S	.	.			trans	-56.5	138.4	168.4	-24.2	35.5	0	0	0	111.4	D102 K103 I104	P100-D102 VanDerWaalsContact C-N 3.27Å; P100-D102 WeakPolarHBondContact CB-OD1 3.49Å; P100-D102 PolarHBondContact O-N 2.84Å; P100-K103 HydrophobicContact CB-CB 4.47Å; P100-K103 HydrophobicContact CB-CD 4.38Å; P100-K103 HydrophobicContact CB-CG 4.24Å; P100-K103 HydrophobicContact CG-CD 4.22Å; P100-K103 WeakPolarHBondContact O-CA 3.33Å; P100-K103 WeakPolarHBondContact O-CB 3.15Å; P100-K103 PolarHBondContact O-N 3.33Å; P100-I104 PolarHBondContact O-N 2.87Å
101	E	93.8	Very high	93.6	Very high	164 Å²	164	60 Å²	60	77%	0.766	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-57.7	-39	-174.6	-172.9	174.9	-175.2	0	0	112.7	K103 I104	E101-K103 PolarHBondContact O-N 3.44Å; E101-K103 VanDerWaalsContact O-N 3.13Å; E101-I104 PolarHBondContact O-N 2.66Å
102	D	95.7	Very high	94.2	Very high	95 Å²	95	59.7 Å²	59.7	51%	0.508	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.6	-6.8	177.1	69.5	-49.7	0	0	0	114.1	P100 G111	P100-D102 VanDerWaalsContact C-N 3.27Å; P100-D102 WeakPolarHBondContact CB-OD1 3.49Å; P100-D102 PolarHBondContact O-N 2.84Å; D102-G111 WeakPolarHBondContact O-CA 3.24Å; D102-G111 PolarHBondContact O-N 3.43Å
103	K	96.3	Very high	94.7	Very high	36 Å²	36	65.8 Å²	65.8	16%	0.157	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-111.8	-0.5	177.3	-59.1	-170.1	178.2	-169.2	0	113.2	P100 E101 W114 E211 L212	P100-K103 HydrophobicContact CB-CB 4.47Å; P100-K103 HydrophobicContact CB-CD 4.38Å; P100-K103 HydrophobicContact CB-CG 4.24Å; P100-K103 HydrophobicContact CG-CD 4.22Å; P100-K103 WeakPolarHBondContact O-CA 3.33Å; P100-K103 WeakPolarHBondContact O-CB 3.15Å; P100-K103 PolarHBondContact O-N 3.33Å; E101-K103 PolarHBondContact O-N 3.44Å; E101-K103 VanDerWaalsContact O-N 3.13Å; K103-W114 HydrophobicContact CB-CD2 4.16Å; K103-W114 HydrophobicContact CB-CE3 3.95Å; K103-W114 HydrophobicContact CB-CH2 4.38Å; K103-W114 HydrophobicContact CB-CZ2 4.5Å; K103-W114 HydrophobicContact CB-CZ3 4.08Å; K103-W114 HydrophobicContact CD-CD2 4.31Å; K103-W114 HydrophobicContact CD-CH2 4.11Å; K103-W114 HydrophobicContact CD-CZ2 3.58Å; K103-W114 HydrophobicContact CG-CD2 3.88Å; K103-W114 HydrophobicContact CG-CE3 4.2Å; K103-W114 HydrophobicContact CG-CG 4.34Å; K103-W114 HydrophobicContact CG-CH2 4.45Å; K103-W114 HydrophobicContact CG-CZ2 4.08Å; K103-W114 HydrophobicContact CG-CZ3 4.48Å; K103-E211 IonicContact NZ-OE1 3.11Å; K103-E211 IonicContact NZ-OE2 3.67Å; K103-E211 PolarHBondContact NZ-OE2 3.29Å; K103-L212 HydrophobicContact CB-CD1 4.38Å; K103-L212 HydrophobicContact CD-CD1 3.77Å
104	I	96	Very high	95.1	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.056	31%	0.313	C	S	.	.	S	Bend	trans	-79.8	122.2	176.2	-58.1	174.2	0	0	0	109.2	Y82 F96 L99 P100 E101 Y106 S109 G111	Y82-I104 HydrophobicContact CD1-CG2 4.11Å; Y82-I104 HydrophobicContact CE1-CG2 3.72Å; F96-I104 HydrophobicContact CB-CD1 4.23Å; F96-I104 HydrophobicContact CB-CG1 4.25Å; F96-I104 HydrophobicContact CB-CG2 3.87Å; F96-I104 HydrophobicContact CD1-CG2 3.9Å; F96-I104 HydrophobicContact CG-CG2 3.89Å; F96-I104 WeakPolarHBondContact O-CD1 2.82Å; L99-I104 HydrophobicContact CB-CG1 4.41Å; P100-I104 PolarHBondContact O-N 2.87Å; E101-I104 PolarHBondContact O-N 2.66Å; I104-Y106 HydrophobicContact CB-CD2 4.09Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CD1-CE2 4.33Å; I104-Y106 HydrophobicContact CG2-CD1 4.44Å; I104-Y106 HydrophobicContact CG2-CD2 3.71Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.37Å; I104-Y106 HydrophobicContact CG2-CG 4.24Å; I104-Y106 PolarHBondContact O-N 3.06Å; I104-S109 PolarHBondContact O-OG 3.36Å; I104-G111 VanDerWaalsContact O-CA 3.31Å; I104-G111 WeakPolarHBondContact O-CA 3.43Å
105	P	95.9	Very high	95.5	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.032	31%	0.305	C	S	.	.			trans	-83.5	54.2	-168.7	36.6	-37.9	0	0	0	112.5	Y82 A83 F96 R115	Y82-P105 CarbonylContact C-O 3.54Å; Y82-P105 WeakPolarHBondContact CA-O 3.48Å; A83-P105 HydrophobicContact CB-CB 4.5Å; A83-P105 PolarHBondContact N-O 2.7Å; F96-P105 HydrophobicContact CE1-CG 3.81Å; F96-P105 HydrophobicContact CZ-CG 4.02Å; P105-R115 HydrophobicContact CB-CB 4.36Å
106	Y	95.5	Very high	95.7	Very high	90 Å²	90	63.8 Å²	63.8	35%	0.353	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-60.5	141.8	170.6	-62.8	-69.6	0	0	0	110.2	E81 Y82 I104 K108 S109 E112	E81-Y106 CarbonylContact O-C 3.58Å; E81-Y106 VanDerWaalsContact O-CA 3.29Å; E81-Y106 WeakPolarHBondContact O-CA 3.04Å; Y82-Y106 AromaticContact CD1-CD1 3.85Å; Y82-Y106 HydrophobicContact CD1-CD1 3.85Å; Y82-Y106 AromaticContact CD1-CE1 3.98Å; Y82-Y106 HydrophobicContact CD1-CE1 3.98Å; Y82-Y106 AromaticContact CE1-CD1 3.58Å; Y82-Y106 HydrophobicContact CE1-CD1 3.58Å; Y82-Y106 AromaticContact CE1-CE1 3.21Å; Y82-Y106 HydrophobicContact CE1-CE1 3.21Å; Y82-Y106 HydrophobicContact CE1-CG 4.48Å; Y82-Y106 AromaticContact CE1-CZ 3.87Å; Y82-Y106 HydrophobicContact CE2-CE1 4.45Å; Y82-Y106 AromaticContact CZ-CE1 3.48Å; Y82-Y106 VanDerWaalsContact CZ-CE1 3.48Å; Y82-Y106 WeakPolarHBondContact OH-CE1 3.47Å; I104-Y106 HydrophobicContact CB-CD2 4.09Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CD1-CE2 4.33Å; I104-Y106 HydrophobicContact CG2-CD1 4.44Å; I104-Y106 HydrophobicContact CG2-CD2 3.71Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.37Å; I104-Y106 HydrophobicContact CG2-CG 4.24Å; I104-Y106 PolarHBondContact O-N 3.06Å; Y106-K108 PolarHBondContact O-N 3.05Å; Y106-S109 PolarHBondContact N-OG 2.94Å; Y106-S109 WeakPolarHBondContact O-CB 3.47Å; Y106-S109 PolarHBondContact O-N 3.12Å; Y106-S109 PolarHBondContact O-OG 2.76Å; Y106-E112 WeakPolarHBondContact O-CB 3.15Å
107	V	94.9	Very high	95.9	Very high	65 Å²	65	70.6 Å²	70.6	39%	0.394	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	130.8	178.8	175.5	0	0	0	0	110.1	E81 A83 S109	E81-V107 PolarHBondContact O-N 2.84Å; A83-V107 HydrophobicContact CB-CG2 4.47Å; V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 PolarHBondContact O-N 3.34Å
108	K	94.1	Very high	96.2	Very high	182 Å²	182	67.7 Å²	67.7	79%	0.791	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	17.5	-176.8	-60.6	168.3	-175.5	174.8	0	115.6	Y106 E112	Y106-K108 PolarHBondContact O-N 3.05Å; K108-E112 WeakPolarHBondContact CA-OE2 3.35Å; K108-E112 PolarHBondContact N-OE2 3.5Å
109	S	95.7	Very high	96.4	Very high	27 Å²	27	65 Å²	65	19%	0.189	32%	0.32	C	S	.	.	S	Bend	trans	-92.9	174.1	-179	74.4	0	0	0	0	114.5	I104 Y106 V107 G111 E112 K113	I104-S109 PolarHBondContact O-OG 3.36Å; Y106-S109 PolarHBondContact N-OG 2.94Å; Y106-S109 WeakPolarHBondContact O-CB 3.47Å; Y106-S109 PolarHBondContact O-N 3.12Å; Y106-S109 PolarHBondContact O-OG 2.76Å; V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 PolarHBondContact O-N 3.34Å; S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.07Å; S109-G111 PolarHBondContact OG-N 3.2Å; S109-E112 PolarHBondContact O-N 2.92Å; S109-E112 PolarHBondContact OG-N 3.48Å; S109-E112 VanDerWaalsContact OG-N 3.17Å; S109-K113 PolarHBondContact O-N 3.45Å
110	A	96.9	Very high	96.5	Very high	63 Å²	63	68.9 Å²	68.9	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-36.2	168.8	0	0	0	0	0	112.2	K113 W114	A110-K113 PolarHBondContact O-N 3.21Å; A110-W114 PolarHBondContact O-N 2.94Å
111	G	97.3	Very high	96.7	Very high	2 Å²	2	70.1 Å²	70.1	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-71.1	-32.2	178.9	0	0	0	0	0	113.6	D102 I104 S109 W114 R115	D102-G111 WeakPolarHBondContact O-CA 3.24Å; D102-G111 PolarHBondContact O-N 3.43Å; I104-G111 VanDerWaalsContact O-CA 3.31Å; I104-G111 WeakPolarHBondContact O-CA 3.43Å; S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.07Å; S109-G111 PolarHBondContact OG-N 3.2Å; G111-W114 PolarHBondContact O-N 3.12Å; G111-R115 WeakPolarHBondContact O-CB 3.22Å; G111-R115 PolarHBondContact O-N 3.41Å
112	E	97.1	Very high	96.9	Very high	55 Å²	55	62.4 Å²	62.4	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-46.4	169.2	178.1	-177.6	-141.3	0	0	110.9	A83 Y106 K108 S109 W114 R115 V116	A83-E112 HydrophobicContact CB-CB 4.33Å; A83-E112 HydrophobicContact CB-CG 3.8Å; A83-E112 WeakPolarHBondContact CB-OE1 3.36Å; Y106-E112 WeakPolarHBondContact O-CB 3.15Å; K108-E112 WeakPolarHBondContact CA-OE2 3.35Å; K108-E112 PolarHBondContact N-OE2 3.5Å; S109-E112 PolarHBondContact O-N 2.92Å; S109-E112 PolarHBondContact OG-N 3.48Å; S109-E112 VanDerWaalsContact OG-N 3.17Å; E112-W114 VanDerWaalsContact C-N 3.28Å; E112-W114 PolarHBondContact O-N 3.23Å; E112-R115 WeakPolarHBondContact O-CB 3.47Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-R115 VanDerWaalsContact O-N 3.13Å; E112-V116 WeakPolarHBondContact O-CG2 3.24Å; E112-V116 PolarHBondContact O-N 3.28Å
113	K	98	Very high	97	Very high	133 Å²	133	60.9 Å²	60.9	58%	0.578	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-38.2	175.8	-65.9	174.6	-175.1	175.3	0	111.7	S109 A110 R117	S109-K113 PolarHBondContact O-N 3.45Å; A110-K113 PolarHBondContact O-N 3.21Å; K113-R117 WeakPolarHBondContact O-CG 3.35Å; K113-R117 PolarHBondContact O-N 3.48Å; K113-R117 VanDerWaalsContact O-N 3.16Å; K113-R117 PolarHBondContact O-NE 3.14Å
114	W	98	Very high	97.1	Very high	31 Å²	31	59.3 Å²	59.3	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-47.8	172.5	175.3	90	0	0	0	111	K103 A110 G111 E112 V116 R117 Q118 L212 I214	K103-W114 HydrophobicContact CB-CD2 4.16Å; K103-W114 HydrophobicContact CB-CE3 3.95Å; K103-W114 HydrophobicContact CB-CH2 4.38Å; K103-W114 HydrophobicContact CB-CZ2 4.5Å; K103-W114 HydrophobicContact CB-CZ3 4.08Å; K103-W114 HydrophobicContact CD-CD2 4.31Å; K103-W114 HydrophobicContact CD-CH2 4.11Å; K103-W114 HydrophobicContact CD-CZ2 3.58Å; K103-W114 HydrophobicContact CG-CD2 3.88Å; K103-W114 HydrophobicContact CG-CE3 4.2Å; K103-W114 HydrophobicContact CG-CG 4.34Å; K103-W114 HydrophobicContact CG-CH2 4.45Å; K103-W114 HydrophobicContact CG-CZ2 4.08Å; K103-W114 HydrophobicContact CG-CZ3 4.48Å; A110-W114 PolarHBondContact O-N 2.94Å; G111-W114 PolarHBondContact O-N 3.12Å; E112-W114 VanDerWaalsContact C-N 3.28Å; E112-W114 PolarHBondContact O-N 3.23Å; W114-V116 PolarHBondContact O-N 3.18Å; W114-R117 PolarHBondContact O-N 2.85Å; W114-Q118 HydrophobicContact CD2-CG 3.89Å; W114-Q118 VanDerWaalsContact CE2-CG 3.41Å; W114-Q118 HydrophobicContact CE3-CG 4.36Å; W114-Q118 HydrophobicContact CG-CG 4.45Å; W114-Q118 HydrophobicContact CH2-CG 3.92Å; W114-Q118 HydrophobicContact CZ2-CG 3.46Å; W114-Q118 VanDerWaalsContact CZ2-CG 3.46Å; W114-Q118 HydrophobicContact CZ3-CG 4.37Å; W114-Q118 WeakPolarHBondContact O-CG 3.29Å; W114-Q118 PolarHBondContact O-N 2.88Å; W114-L212 HydrophobicContact CH2-CB 3.91Å; W114-L212 HydrophobicContact CH2-CD1 4.13Å; W114-L212 HydrophobicContact CZ2-CB 4.36Å; W114-I214 HydrophobicContact CH2-CD1 4.29Å; W114-I214 HydrophobicContact CZ3-CD1 3.95Å
115	R	97.5	Very high	97.2	Very high	37 Å²	37	60.5 Å²	60.5	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-47.5	177.7	164.7	164.3	-173.1	-82.2	-4.3	112.1	P105 G111 E112 R117 Q118 L119 I214 D215	P105-R115 HydrophobicContact CB-CB 4.36Å; G111-R115 WeakPolarHBondContact O-CB 3.22Å; G111-R115 PolarHBondContact O-N 3.41Å; E112-R115 WeakPolarHBondContact O-CB 3.47Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-R115 VanDerWaalsContact O-N 3.13Å; R115-R117 VanDerWaalsContact C-N 3.33Å; R115-R117 PolarHBondContact O-N 2.62Å; R115-Q118 PolarHBondContact O-N 3.04Å; R115-L119 HydrophobicContact CG-CD1 4.21Å; R115-L119 WeakPolarHBondContact O-CG 3.16Å; R115-L119 PolarHBondContact O-N 3.21Å; R115-I214 HydrophobicContact CB-CD1 4.19Å; R115-I214 HydrophobicContact CG-CD1 3.89Å; R115-D215 IonicContact CZ-OD1 3.49Å; R115-D215 IonicContact CZ-OD2 3.48Å; R115-D215 IonicContact NE-OD1 2.76Å; R115-D215 PolarHBondContact NE-OD1 3.4Å; R115-D215 IonicContact NE-OD2 3.88Å; R115-D215 VanDerWaalsContact NH2-CG 3.35Å; R115-D215 IonicContact NH2-OD1 3.74Å; R115-D215 PolarHBondContact NH2-OD1 2.85Å; R115-D215 IonicContact NH2-OD2 2.82Å; R115-D215 PolarHBondContact NH2-OD2 3.2Å
116	V	97.7	Very high	97.2	Very high	73 Å²	73	61.8 Å²	61.8	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-43	177.9	174.1	0	0	0	0	111.3	E112 W114 L119 L120	E112-V116 WeakPolarHBondContact O-CG2 3.24Å; E112-V116 PolarHBondContact O-N 3.28Å; W114-V116 PolarHBondContact O-N 3.18Å; V116-L119 PolarHBondContact O-N 2.9Å; V116-L120 PolarHBondContact O-N 3.18Å
117	R	98.1	Very high	97.4	Very high	146 Å²	146	57.8 Å²	57.8	55%	0.551	29%	0.291	S	S	*	.	H	α-helix	trans	-62.4	-44.4	174.8	-75.6	179.9	-72.4	-147	3.3	111.9	K113 W114 R115 L120 L121	K113-R117 WeakPolarHBondContact O-CG 3.35Å; K113-R117 PolarHBondContact O-N 3.48Å; K113-R117 VanDerWaalsContact O-N 3.16Å; K113-R117 PolarHBondContact O-NE 3.14Å; W114-R117 PolarHBondContact O-N 2.85Å; R115-R117 VanDerWaalsContact C-N 3.33Å; R115-R117 PolarHBondContact O-N 2.62Å; R117-L120 PolarHBondContact O-N 2.94Å; R117-L121 WeakPolarHBondContact O-CB 3.43Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 3.33Å
118	Q	98.3	Very high	97.4	Very high	20 Å²	20	56.2 Å²	56.2	9%	0.093	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-34.5	178.5	-70.4	-58	-44.3	0	0	112.7	W114 R115 L121 Q122 I214	W114-Q118 HydrophobicContact CD2-CG 3.89Å; W114-Q118 VanDerWaalsContact CE2-CG 3.41Å; W114-Q118 HydrophobicContact CE3-CG 4.36Å; W114-Q118 HydrophobicContact CG-CG 4.45Å; W114-Q118 HydrophobicContact CH2-CG 3.92Å; W114-Q118 HydrophobicContact CZ2-CG 3.46Å; W114-Q118 VanDerWaalsContact CZ2-CG 3.46Å; W114-Q118 HydrophobicContact CZ3-CG 4.37Å; W114-Q118 WeakPolarHBondContact O-CG 3.29Å; W114-Q118 PolarHBondContact O-N 2.88Å; R115-Q118 PolarHBondContact O-N 3.04Å; Q118-L121 PolarHBondContact O-N 2.85Å; Q118-Q122 WeakPolarHBondContact O-CB 3.43Å; Q118-Q122 WeakPolarHBondContact O-CG 3.32Å; Q118-Q122 PolarHBondContact O-N 3.41Å; Q118-I214 HydrophobicContact CB-CB 4.24Å; Q118-I214 HydrophobicContact CB-CD1 3.96Å; Q118-I214 HydrophobicContact CB-CG1 4.02Å
119	L	97.8	Very high	97.5	Very high	48 Å²	48	50.9 Å²	50.9	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-49.5	172.2	-80.1	168.7	0	0	0	111.2	R115 V116 L121 L123 I214	R115-L119 HydrophobicContact CG-CD1 4.21Å; R115-L119 WeakPolarHBondContact O-CG 3.16Å; R115-L119 PolarHBondContact O-N 3.21Å; V116-L119 PolarHBondContact O-N 2.9Å; L119-L121 PolarHBondContact O-N 2.85Å; L119-L123 HydrophobicContact CD2-CD1 4.33Å; L119-L123 CarbonylContact O-C 3.58Å; L119-L123 WeakPolarHBondContact O-CA 3Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 2.94Å; L119-I214 HydrophobicContact CD2-CG1 3.87Å; L119-I214 HydrophobicContact CD2-CG2 3.97Å; L119-I214 HydrophobicContact CG-CG1 3.79Å
120	L	97.5	Very high	97.5	Very high	105 Å²	105	50.5 Å²	50.5	55%	0.55	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-38.4	178.3	-66.8	172.4	0	0	0	112.5	V116 R117 P124	V116-L120 PolarHBondContact O-N 3.18Å; R117-L120 PolarHBondContact O-N 2.94Å; L120-P124 WeakPolarHBondContact O-CA 3.43Å
121	L	98	Very high	97.5	Very high	84 Å²	84	56.4 Å²	56.4	44%	0.44	27%	0.266	S	S	.	.	H	α-helix	trans	-76.7	-43.4	-178.7	-70.9	174.8	0	0	0	113	R117 Q118 L119 R229	R117-L121 WeakPolarHBondContact O-CB 3.43Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 3.33Å; Q118-L121 PolarHBondContact O-N 2.85Å; L119-L121 PolarHBondContact O-N 2.85Å; L121-R229 WeakPolarHBondContact O-CB 3.14Å; L121-R229 WeakPolarHBondContact O-CD 3.4Å; L121-R229 PolarHBondContact O-NH1 3.49Å
122	Q	98.6	Very high	97.5	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-85.2	-26.8	-174.3	-68.9	-168.7	32.4	0	0	112.8	Q118 P124 L212 I214 C227 G228 R229	Q118-Q122 WeakPolarHBondContact O-CB 3.43Å; Q118-Q122 WeakPolarHBondContact O-CG 3.32Å; Q118-Q122 PolarHBondContact O-N 3.41Å; Q122-P124 VanDerWaalsContact C-CD 3.5Å; Q122-L212 PolarHBondContact NE2-O 3.39Å; Q122-L212 PolarHBondContact OE1-O 3.32Å; Q122-I214 HydrophobicContact CB-CG2 3.89Å; Q122-I214 HydrophobicContact CG-CG2 4.47Å; Q122-C227 HydrophobicContact CB-CB 3.78Å; Q122-C227 HydrophobicContact CG-CB 3.72Å; Q122-G228 CarbonylContact O-C 3.59Å; Q122-G228 WeakPolarHBondContact O-CA 3.5Å; Q122-G228 PolarHBondContact O-N 3.41Å; Q122-R229 PolarHBondContact O-N 2.85Å
123	L	98.2	Very high	97.4	Very high	63 Å²	63	60 Å²	60	33%	0.33	28%	0.28	S	S	.	.	S	Bend	trans	-129.6	63.8	178.3	-57.3	173	0	0	0	110.1	L119 I214 V217 F219	L119-L123 HydrophobicContact CD2-CD1 4.33Å; L119-L123 CarbonylContact O-C 3.58Å; L119-L123 WeakPolarHBondContact O-CA 3Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 2.94Å; L123-I214 HydrophobicContact CD1-CG2 4.19Å; L123-I214 HydrophobicContact CG-CG2 4.42Å; L123-V217 HydrophobicContact CD1-CB 4.48Å; L123-V217 HydrophobicContact CD1-CG1 4.32Å; L123-V217 HydrophobicContact CD2-CG1 4.25Å; L123-F219 HydrophobicContact CD2-CE2 4.04Å
124	P	98.1	Very high	97.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.013	29%	0.285	C	S	.	.			trans	-56.6	128.3	-178.1	-21.3	32.6	0	0	0	110.5	L120 Q122 Q126 D127 R229	L120-P124 WeakPolarHBondContact O-CA 3.43Å; Q122-P124 VanDerWaalsContact C-CD 3.5Å; P124-Q126 HydrophobicContact CB-CG 4.26Å; P124-Q126 PolarHBondContact O-N 2.84Å; P124-D127 WeakPolarHBondContact O-CB 3.43Å; P124-D127 PolarHBondContact O-N 3.32Å; P124-R229 HydrophobicContact CG-CB 4.27Å
125	P	97.3	Very high	96.6	Very high	36 Å²	36	65.8 Å²	65.8	23%	0.234	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-62.4	-33.8	-174.3	24.4	-34.3	0	0	0	112.3	D127 S128 Q129 Y132	P125-D127 PolarHBondContact O-N 3.01Å; P125-S128 PolarHBondContact O-N 3.48Å; P125-S128 VanDerWaalsContact O-N 3.13Å; P125-S128 PolarHBondContact O-OG 2.67Å; P125-Q129 WeakPolarHBondContact O-CB 3.39Å; P125-Q129 PolarHBondContact O-N 3.19Å; P125-Y132 HydrophobicContact CB-CD2 3.56Å; P125-Y132 HydrophobicContact CB-CE2 3.76Å; P125-Y132 HydrophobicContact CB-CG 4.03Å; P125-Y132 HydrophobicContact CG-CD2 4.4Å; P125-Y132 HydrophobicContact CG-CG 4.4Å
126	Q	97.4	Very high	96.5	Very high	32 Å²	32	65.9 Å²	65.9	15%	0.15	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.5	-18.6	173.8	64.8	-92.7	30.5	0	0	114.2	P124 S128 C133 D243 E244	P124-Q126 HydrophobicContact CB-CG 4.26Å; P124-Q126 PolarHBondContact O-N 2.84Å; Q126-S128 VanDerWaalsContact C-N 3.25Å; Q126-S128 PolarHBondContact O-N 2.88Å; Q126-C133 PolarHBondContact O-SG 3.05Å; Q126-D243 PolarHBondContact NE2-O 3.12Å; Q126-E244 HydrophobicContact CG-CG 4.21Å
127	D	98	Very high	96.4	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.037	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-79.7	-7.4	177.3	-70.3	8.2	0	0	0	113	P124 P125 L144 R238 I245	P124-D127 WeakPolarHBondContact O-CB 3.43Å; P124-D127 PolarHBondContact O-N 3.32Å; P125-D127 PolarHBondContact O-N 3.01Å; D127-L144 WeakPolarHBondContact O-CD1 3.47Å; D127-R238 VanDerWaalsContact CG-NH2 3.34Å; D127-R238 IonicContact OD1-CZ 3.52Å; D127-R238 IonicContact OD1-NH1 3.6Å; D127-R238 PolarHBondContact OD1-NH1 3.45Å; D127-R238 IonicContact OD1-NH2 2.65Å; D127-R238 PolarHBondContact OD1-NH2 3.38Å; D127-R238 IonicContact OD2-CZ 2.64Å; D127-R238 IonicContact OD2-NH1 2.59Å; D127-R238 IonicContact OD2-NH2 3.65Å; D127-R238 PolarHBondContact OD2-NH2 2.8Å; D127-I245 HydrophobicContact CB-CD1 4.07Å
128	S	96.4	Very high	96.4	Very high	31 Å²	31	63.3 Å²	63.3	22%	0.217	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	-19.8	-176.6	63.4	0	0	0	0	114.3	P125 Q126 D148	P125-S128 PolarHBondContact O-N 3.48Å; P125-S128 VanDerWaalsContact O-N 3.13Å; P125-S128 PolarHBondContact O-OG 2.67Å; Q126-S128 VanDerWaalsContact C-N 3.25Å; Q126-S128 PolarHBondContact O-N 2.88Å; S128-D148 VanDerWaalsContact CB-OD1 3.24Å; S128-D148 WeakPolarHBondContact CB-OD1 3.32Å
129	Q	95.9	Very high	96.3	Very high	71 Å²	71	67 Å²	67	33%	0.332	34%	0.34	S	S	.	.			trans	-131.8	105.7	-171.1	-76.6	177.2	62.6	0	0	110	P125 R131 Y132	P125-Q129 WeakPolarHBondContact O-CB 3.39Å; P125-Q129 PolarHBondContact O-N 3.19Å; Q129-R131 HydrophobicContact CB-CG 4.32Å; Q129-R131 PolarHBondContact O-N 2.82Å; Q129-R131 VanDerWaalsContact OE1-CZ 3.31Å; Q129-Y132 HydrophobicContact CB-CD2 3.56Å; Q129-Y132 HydrophobicContact CB-CE2 3.9Å; Q129-Y132 HydrophobicContact CG-CE2 4.44Å; Q129-Y132 PolarHBondContact O-N 3.27Å
130	P	96.4	Very high	96.3	Very high	19 Å²	19	66 Å²	66	12%	0.123	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55	-28.8	-176.3	-30	36.2	0	0	0	115.2	Y132 C133 L136 E141 L144 R145	P130-Y132 PolarHBondContact O-N 3.25Å; P130-Y132 VanDerWaalsContact O-N 3.1Å; P130-C133 WeakPolarHBondContact O-CB 3.17Å; P130-C133 PolarHBondContact O-N 2.83Å; P130-L136 HydrophobicContact CB-CD1 4.16Å; P130-E141 HydrophobicContact CB-CB 4.47Å; P130-E141 HydrophobicContact CB-CG 3.62Å; P130-E141 WeakPolarHBondContact CB-OE1 3.24Å; P130-E141 HydrophobicContact CG-CG 3.65Å; P130-L144 HydrophobicContact CB-CD2 4.15Å; P130-L144 HydrophobicContact CG-CD2 3.75Å; P130-L144 HydrophobicContact CG-CG 4.2Å; P130-R145 HydrophobicContact CG-CG 4.13Å
131	R	96	Very high	96.3	Very high	186 Å²	186	64 Å²	64	70%	0.702	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-60.4	-18.1	177.4	66.6	174.6	175.6	166.8	-2	114.9	Q129	Q129-R131 HydrophobicContact CB-CG 4.32Å; Q129-R131 PolarHBondContact O-N 2.82Å; Q129-R131 VanDerWaalsContact OE1-CZ 3.31Å
132	Y	96.6	Very high	96.3	Very high	112 Å²	112	66.5 Å²	66.5	44%	0.439	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-97.9	-2.9	176.8	-61.1	-68.8	0	0	0	112.9	P125 Q129 P130	P125-Y132 HydrophobicContact CB-CD2 3.56Å; P125-Y132 HydrophobicContact CB-CE2 3.76Å; P125-Y132 HydrophobicContact CB-CG 4.03Å; P125-Y132 HydrophobicContact CG-CD2 4.4Å; P125-Y132 HydrophobicContact CG-CG 4.4Å; Q129-Y132 HydrophobicContact CB-CD2 3.56Å; Q129-Y132 HydrophobicContact CB-CE2 3.9Å; Q129-Y132 HydrophobicContact CG-CE2 4.44Å; Q129-Y132 PolarHBondContact O-N 3.27Å; P130-Y132 PolarHBondContact O-N 3.25Å; P130-Y132 VanDerWaalsContact O-N 3.1Å
133	C	96.3	Very high	96.2	Very high	20 Å²	20	68.9 Å²	68.9	14%	0.135	34%	0.344	C	S	.	.	S	Bend	trans	-85.7	145.3	173.4	-55.4	0	0	0	0	109.8	Q126 P130 L136 E244	Q126-C133 PolarHBondContact O-SG 3.05Å; P130-C133 WeakPolarHBondContact O-CB 3.17Å; P130-C133 PolarHBondContact O-N 2.83Å; C133-L136 HydrophobicContact CB-CD1 3.54Å; C133-L136 HydrophobicContact CB-CD2 4.37Å; C133-L136 HydrophobicContact CB-CG 3.59Å; C133-L136 VanDerWaalsContact SG-CD1 3.59Å; C133-E244 WeakPolarHBondContact CB-OE2 3.08Å
134	R	91.5	Very high	96.2	Very high	180 Å²	180	65.9 Å²	65.9	68%	0.679	33%	0.328	S	S	*	.	S	Bend	trans	-74.6	-38.4	-174.4	-71.5	174.5	-175.3	-174.3	3	114	E244	R134-E244 VanDerWaalsContact CG-OE1 3.31Å; R134-E244 WeakPolarHBondContact CG-OE1 3.35Å; R134-E244 PolarHBondContact N-OE1 3.06Å; R134-E244 PolarHBondContact N-OE2 2.98Å
135	S	87.9	Confident	96.2	Very high	106 Å²	106	71.1 Å²	71.1	74%	0.741	35%	0.348	S	S	*	.	S	Bend	trans	-157.5	58.5	-167.3	-58.3	0	0	0	0	112.9
136	L	94.9	Very high	96.3	Very high	40 Å²	40	71.9 Å²	71.9	21%	0.209	36%	0.358	C	S	.	.			trans	-83.4	135.5	170.3	-60.7	177.1	0	0	0	110.5	P130 C133 E140 E141 L144	P130-L136 HydrophobicContact CB-CD1 4.16Å; C133-L136 HydrophobicContact CB-CD1 3.54Å; C133-L136 HydrophobicContact CB-CD2 4.37Å; C133-L136 HydrophobicContact CB-CG 3.59Å; C133-L136 VanDerWaalsContact SG-CD1 3.59Å; L136-E140 WeakPolarHBondContact CA-OE2 3.22Å; L136-E140 HydrophobicContact CB-CB 4.15Å; L136-E140 HydrophobicContact CD2-CB 3.89Å; L136-E141 HydrophobicContact CB-CB 4.43Å; L136-L144 HydrophobicContact CD1-CB 4.44Å; L136-L144 HydrophobicContact CD1-CD2 3.61Å
137	N	95.7	Very high	96.3	Very high	81 Å²	81	71.5 Å²	71.5	43%	0.433	36%	0.356	S	S	.	.			trans	-79.8	171.8	163.9	70.7	58.3	0	0	0	111.2	K139 E140 E141	N137-K139 VanDerWaalsContact C-N 3.3Å; N137-K139 PolarHBondContact O-N 3.29Å; N137-K139 WeakPolarHBondContact OD1-CA 3.36Å; N137-K139 WeakPolarHBondContact OD1-CB 3.17Å; N137-K139 PolarHBondContact OD1-N 3.34Å; N137-E140 VanDerWaalsContact CG-OE2 3.31Å; N137-E140 PolarHBondContact N-OE2 2.97Å; N137-E140 WeakPolarHBondContact ND2-CG 3.2Å; N137-E140 PolarHBondContact ND2-OE1 3.34Å; N137-E140 PolarHBondContact ND2-OE2 3.24Å; N137-E140 PolarHBondContact O-N 2.72Å; N137-E140 VanDerWaalsContact O-N 3.16Å; N137-E140 PolarHBondContact OD1-N 3.06Å; N137-E141 WeakPolarHBondContact O-CB 3.46Å; N137-E141 PolarHBondContact O-N 3.17Å
138	A	96.8	Very high	96.3	Very high	83 Å²	83	72.1 Å²	72.1	69%	0.686	36%	0.359	S	S	*	.	H	α-helix	trans	-59.5	-35.4	-175.6	0	0	0	0	0	114.2	Q142	A138-Q142 PolarHBondContact O-N 2.85Å; A138-Q142 VanDerWaalsContact O-N 3.17Å
139	K	96.9	Very high	96.4	Very high	97 Å²	97	76.3 Å²	76.3	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-67.5	-49	175.5	179.2	-165.6	167.7	-156.6	0	109.8	N137 E141 Q142 D143 D249	N137-K139 VanDerWaalsContact C-N 3.3Å; N137-K139 PolarHBondContact O-N 3.29Å; N137-K139 WeakPolarHBondContact OD1-CA 3.36Å; N137-K139 WeakPolarHBondContact OD1-CB 3.17Å; N137-K139 PolarHBondContact OD1-N 3.34Å; K139-E141 VanDerWaalsContact C-N 3.31Å; K139-E141 PolarHBondContact O-N 2.62Å; K139-Q142 WeakPolarHBondContact O-CB 3.44Å; K139-Q142 PolarHBondContact O-N 2.88Å; K139-Q142 VanDerWaalsContact O-N 3.12Å; K139-D143 PolarHBondContact O-N 3.3Å; K139-D249 VanDerWaalsContact NZ-CG 3.35Å; K139-D249 IonicContact NZ-OD1 2.71Å; K139-D249 PolarHBondContact NZ-OD1 3.41Å; K139-D249 IonicContact NZ-OD2 2.67Å; K139-D249 PolarHBondContact NZ-OD2 3.47Å
140	E	97.3	Very high	96.5	Very high	27 Å²	27	77.3 Å²	77.3	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-36	-179.4	-66.7	168.7	153.7	0	0	112.3	L136 N137 Q142 D143 L144 F247	L136-E140 WeakPolarHBondContact CA-OE2 3.22Å; L136-E140 HydrophobicContact CB-CB 4.15Å; L136-E140 HydrophobicContact CD2-CB 3.89Å; N137-E140 VanDerWaalsContact CG-OE2 3.31Å; N137-E140 PolarHBondContact N-OE2 2.97Å; N137-E140 WeakPolarHBondContact ND2-CG 3.2Å; N137-E140 PolarHBondContact ND2-OE1 3.34Å; N137-E140 PolarHBondContact ND2-OE2 3.24Å; N137-E140 PolarHBondContact O-N 2.72Å; N137-E140 VanDerWaalsContact O-N 3.16Å; N137-E140 PolarHBondContact OD1-N 3.06Å; E140-Q142 VanDerWaalsContact C-N 3.34Å; E140-D143 PolarHBondContact O-N 2.9Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.4Å; E140-F247 HydrophobicContact CB-CB 4.03Å; E140-F247 HydrophobicContact CG-CB 4.06Å
141	E	97.9	Very high	96.6	Very high	63 Å²	63	77 Å²	77	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-40.9	173.4	177.5	168.4	-160.8	0	0	111.6	P130 L136 N137 K139 R145	P130-E141 HydrophobicContact CB-CB 4.47Å; P130-E141 HydrophobicContact CB-CG 3.62Å; P130-E141 WeakPolarHBondContact CB-OE1 3.24Å; P130-E141 HydrophobicContact CG-CG 3.65Å; L136-E141 HydrophobicContact CB-CB 4.43Å; N137-E141 WeakPolarHBondContact O-CB 3.46Å; N137-E141 PolarHBondContact O-N 3.17Å; K139-E141 VanDerWaalsContact C-N 3.31Å; K139-E141 PolarHBondContact O-N 2.62Å; E141-R145 VanDerWaalsContact CG-CZ 3.49Å; E141-R145 VanDerWaalsContact CG-NH2 3.26Å; E141-R145 WeakPolarHBondContact O-CG 3.03Å; E141-R145 PolarHBondContact O-N 3.14Å; E141-R145 VanDerWaalsContact O-N 3.08Å; E141-R145 IonicContact OE1-CZ 3.97Å; E141-R145 IonicContact OE1-NH1 3.65Å; E141-R145 PolarHBondContact OE1-NH1 3.05Å; E141-R145 IonicContact OE1-NH2 3.19Å; E141-R145 PolarHBondContact OE1-NH2 2.95Å; E141-R145 IonicContact OE2-NH2 3.78Å
142	Q	97.9	Very high	96.7	Very high	137 Å²	137	72.7 Å²	72.7	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-64.1	-44	173.1	-176.2	177.9	14.7	0	0	111.4	A138 K139 E140 L144 R145 A146	A138-Q142 PolarHBondContact O-N 2.85Å; A138-Q142 VanDerWaalsContact O-N 3.17Å; K139-Q142 WeakPolarHBondContact O-CB 3.44Å; K139-Q142 PolarHBondContact O-N 2.88Å; K139-Q142 VanDerWaalsContact O-N 3.12Å; E140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.37Å; Q142-R145 PolarHBondContact O-N 2.97Å; Q142-A146 WeakPolarHBondContact O-CB 3.05Å; Q142-A146 PolarHBondContact O-N 2.95Å
143	D	97.7	Very high	96.8	Very high	53 Å²	53	74.2 Å²	74.2	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-41.6	178.3	-70.6	-23.7	0	0	0	111.5	K139 E140 A146 F147 F247	K139-D143 PolarHBondContact O-N 3.3Å; E140-D143 PolarHBondContact O-N 2.9Å; D143-A146 PolarHBondContact O-N 2.81Å; D143-F147 WeakPolarHBondContact O-CB 3.31Å; D143-F147 PolarHBondContact O-N 2.87Å; D143-F247 HydrophobicContact CB-CD1 3.77Å; D143-F247 HydrophobicContact CB-CE1 4.45Å; D143-F247 HydrophobicContact CB-CG 4.41Å
144	L	98.1	Very high	96.8	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-46.6	174	171.3	55.9	0	0	0	111.7	D127 P130 L136 E140 Q142 A146 F147 D148 F247	D127-L144 WeakPolarHBondContact O-CD1 3.47Å; P130-L144 HydrophobicContact CB-CD2 4.15Å; P130-L144 HydrophobicContact CG-CD2 3.75Å; P130-L144 HydrophobicContact CG-CG 4.2Å; L136-L144 HydrophobicContact CD1-CB 4.44Å; L136-L144 HydrophobicContact CD1-CD2 3.61Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.4Å; Q142-L144 PolarHBondContact O-N 3.37Å; L144-A146 PolarHBondContact O-N 2.93Å; L144-F147 PolarHBondContact O-N 2.85Å; L144-D148 PolarHBondContact O-N 3.28Å; L144-F247 HydrophobicContact CB-CD2 4.2Å; L144-F247 HydrophobicContact CB-CE1 4.3Å; L144-F247 HydrophobicContact CB-CE2 3.75Å; L144-F247 HydrophobicContact CB-CZ 3.81Å; L144-F247 HydrophobicContact CD1-CE2 3.66Å; L144-F247 HydrophobicContact CD1-CZ 3.6Å; L144-F247 HydrophobicContact CG-CE2 4.15Å; L144-F247 HydrophobicContact CG-CZ 4.28Å
145	R	98.1	Very high	97.1	Very high	112 Å²	112	69 Å²	69	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-43.8	177.4	-73.7	-165.8	-113	-90.7	11.9	111.9	P130 E141 Q142 F147 Q149	P130-R145 HydrophobicContact CG-CG 4.13Å; E141-R145 VanDerWaalsContact CG-CZ 3.49Å; E141-R145 VanDerWaalsContact CG-NH2 3.26Å; E141-R145 WeakPolarHBondContact O-CG 3.03Å; E141-R145 PolarHBondContact O-N 3.14Å; E141-R145 VanDerWaalsContact O-N 3.08Å; E141-R145 IonicContact OE1-CZ 3.97Å; E141-R145 IonicContact OE1-NH1 3.65Å; E141-R145 PolarHBondContact OE1-NH1 3.05Å; E141-R145 IonicContact OE1-NH2 3.19Å; E141-R145 PolarHBondContact OE1-NH2 2.95Å; E141-R145 IonicContact OE2-NH2 3.78Å; Q142-R145 PolarHBondContact O-N 2.97Å; R145-F147 VanDerWaalsContact C-N 3.34Å; R145-Q149 WeakPolarHBondContact O-CB 3.37Å; R145-Q149 VanDerWaalsContact O-CG 3.23Å; R145-Q149 WeakPolarHBondContact O-CG 3.18Å; R145-Q149 PolarHBondContact O-N 3.26Å
146	A	98.2	Very high	97.6	Very high	53 Å²	53	66.4 Å²	66.4	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-42	176.8	0	0	0	0	0	111.4	Q142 D143 L144 Q149 Q150	Q142-A146 WeakPolarHBondContact O-CB 3.05Å; Q142-A146 PolarHBondContact O-N 2.95Å; D143-A146 PolarHBondContact O-N 2.81Å; L144-A146 PolarHBondContact O-N 2.93Å; A146-Q149 PolarHBondContact O-N 2.92Å; A146-Q150 VanDerWaalsContact O-CB 3.31Å; A146-Q150 WeakPolarHBondContact O-CB 3.4Å; A146-Q150 PolarHBondContact O-N 3.12Å
147	F	98.2	Very high	97.7	Very high	24 Å²	24	65.1 Å²	65.1	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-48.5	177.6	179.4	-103	0	0	0	112.7	D143 L144 R145 Q150 R151 A232 L235 K236 I245 F247	D143-F147 WeakPolarHBondContact O-CB 3.31Å; D143-F147 PolarHBondContact O-N 2.87Å; L144-F147 PolarHBondContact O-N 2.85Å; R145-F147 VanDerWaalsContact C-N 3.34Å; F147-Q150 PolarHBondContact O-N 3.24Å; F147-R151 VanDerWaalsContact CZ-CD 3.46Å; F147-R151 HydrophobicContact CZ-CG 4.46Å; F147-R151 VanDerWaalsContact O-CG 3.3Å; F147-R151 WeakPolarHBondContact O-CG 3.21Å; F147-R151 PolarHBondContact O-N 3.31Å; F147-A232 HydrophobicContact CE1-CB 4.18Å; F147-A232 HydrophobicContact CZ-CB 4.17Å; F147-L235 HydrophobicContact CE2-CB 3.71Å; F147-L235 HydrophobicContact CE2-CD1 3.91Å; F147-L235 HydrophobicContact CE2-CG 4.48Å; F147-L235 HydrophobicContact CZ-CB 4.09Å; F147-L235 HydrophobicContact CZ-CD1 4.26Å; F147-K236 HydrophobicContact CD2-CG 4.22Å; F147-K236 HydrophobicContact CE2-CB 4.43Å; F147-K236 HydrophobicContact CE2-CG 3.74Å; F147-K236 HydrophobicContact CZ-CB 4.38Å; F147-K236 HydrophobicContact CZ-CG 4.14Å; F147-I245 HydrophobicContact CE1-CD1 3.69Å; F147-I245 HydrophobicContact CZ-CD1 4.33Å; F147-F247 HydrophobicContact CB-CE1 3.76Å; F147-F247 HydrophobicContact CB-CZ 4.1Å; F147-F247 HydrophobicContact CD1-CE1 4.24Å; F147-F247 AromaticContact CD1-CZ 3.87Å; F147-F247 HydrophobicContact CD1-CZ 3.87Å; F147-F247 HydrophobicContact CE1-CZ 4.49Å; F147-F247 AromaticContact CG-CE1 3.95Å; F147-F247 HydrophobicContact CG-CE1 3.95Å; F147-F247 HydrophobicContact CG-CZ 4.07Å
148	D	98.3	Very high	97.8	Very high	20 Å²	20	66.3 Å²	66.3	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-48.9	176	174.6	65.7	0	0	0	111.5	S128 L144 Q150 R151 K152	S128-D148 VanDerWaalsContact CB-OD1 3.24Å; S128-D148 WeakPolarHBondContact CB-OD1 3.32Å; L144-D148 PolarHBondContact O-N 3.28Å; D148-Q150 PolarHBondContact O-N 3.2Å; D148-R151 PolarHBondContact O-N 3.44Å; D148-K152 VanDerWaalsContact CG-NZ 3.31Å; D148-K152 WeakPolarHBondContact O-CB 3.11Å; D148-K152 WeakPolarHBondContact O-CG 3.36Å; D148-K152 PolarHBondContact O-N 3.49Å; D148-K152 WeakPolarHBondContact OD1-CE 3.26Å; D148-K152 IonicContact OD1-NZ 3.21Å; D148-K152 PolarHBondContact OD1-NZ 3.17Å; D148-K152 VanDerWaalsContact OD1-NZ 3.11Å; D148-K152 WeakPolarHBondContact OD2-CE 3.28Å; D148-K152 IonicContact OD2-NZ 2.71Å; D148-K152 PolarHBondContact OD2-NZ 3.38Å
149	Q	98.4	Very high	97.7	Very high	119 Å²	119	62.6 Å²	62.6	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-60.9	-43.9	179.5	-72.8	174.6	12.9	0	0	112.3	R145 A146 K152 R153	R145-Q149 WeakPolarHBondContact O-CB 3.37Å; R145-Q149 VanDerWaalsContact O-CG 3.23Å; R145-Q149 WeakPolarHBondContact O-CG 3.18Å; R145-Q149 PolarHBondContact O-N 3.26Å; A146-Q149 PolarHBondContact O-N 2.92Å; Q149-K152 PolarHBondContact O-N 2.93Å; Q149-R153 WeakPolarHBondContact O-CB 3.48Å; Q149-R153 PolarHBondContact O-N 2.74Å
150	Q	98.3	Very high	97.6	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-59.5	-49.8	177	-172	77.9	26.4	0	0	110.8	A146 F147 D148 K152 R153 D154	A146-Q150 VanDerWaalsContact O-CB 3.31Å; A146-Q150 WeakPolarHBondContact O-CB 3.4Å; A146-Q150 PolarHBondContact O-N 3.12Å; F147-Q150 PolarHBondContact O-N 3.24Å; D148-Q150 PolarHBondContact O-N 3.2Å; Q150-K152 PolarHBondContact O-N 3.17Å; Q150-R153 PolarHBondContact O-N 3.05Å; Q150-D154 PolarHBondContact NE2-OD2 3.29Å; Q150-D154 WeakPolarHBondContact O-CB 3.4Å; Q150-D154 PolarHBondContact O-N 2.92Å
151	R	98.2	Very high	97.5	Very high	11 Å²	11	60.2 Å²	60.2	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-41.1	-178.9	-72.2	178.4	53.1	-161.3	-2	112.6	F147 D148 S155 L156 F219 G228 H231 L235	F147-R151 VanDerWaalsContact CZ-CD 3.46Å; F147-R151 HydrophobicContact CZ-CG 4.46Å; F147-R151 VanDerWaalsContact O-CG 3.3Å; F147-R151 WeakPolarHBondContact O-CG 3.21Å; F147-R151 PolarHBondContact O-N 3.31Å; D148-R151 PolarHBondContact O-N 3.44Å; R151-S155 WeakPolarHBondContact O-CA 3.37Å; R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-L156 PolarHBondContact O-N 3.15Å; R151-F219 HydrophobicContact CB-CD1 4.33Å; R151-F219 HydrophobicContact CB-CE1 3.97Å; R151-G228 PolarHBondContact NH2-O 3.27Å; R151-H231 PolarHBondContact NE-ND1 3.41Å; R151-H231 VanDerWaalsContact NE-ND1 3.12Å; R151-L235 HydrophobicContact CG-CD1 4.02Å
152	K	97.9	Very high	97.2	Very high	96 Å²	96	61.9 Å²	61.9	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-47.1	175	-76.1	177.4	173.9	158.7	0	111	D148 Q149 Q150 L156 R192	D148-K152 VanDerWaalsContact CG-NZ 3.31Å; D148-K152 WeakPolarHBondContact O-CB 3.11Å; D148-K152 WeakPolarHBondContact O-CG 3.36Å; D148-K152 PolarHBondContact O-N 3.49Å; D148-K152 WeakPolarHBondContact OD1-CE 3.26Å; D148-K152 IonicContact OD1-NZ 3.21Å; D148-K152 PolarHBondContact OD1-NZ 3.17Å; D148-K152 VanDerWaalsContact OD1-NZ 3.11Å; D148-K152 WeakPolarHBondContact OD2-CE 3.28Å; D148-K152 IonicContact OD2-NZ 2.71Å; D148-K152 PolarHBondContact OD2-NZ 3.38Å; Q149-K152 PolarHBondContact O-N 2.93Å; Q150-K152 PolarHBondContact O-N 3.17Å; K152-L156 HydrophobicContact CB-CD2 4.25Å; K152-L156 HydrophobicContact CG-CD2 3.8Å; K152-L156 WeakPolarHBondContact O-CB 3.43Å; K152-R192 PolarHBondContact O-NH1 2.89Å
153	R	97.8	Very high	96.8	Very high	145 Å²	145	59.2 Å²	59.2	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-41.2	-179.2	-172.9	179.6	61.7	-131.8	-2.6	112.3	Q149 Q150 R192	Q149-R153 WeakPolarHBondContact O-CB 3.48Å; Q149-R153 PolarHBondContact O-N 2.74Å; Q150-R153 PolarHBondContact O-N 3.05Å; R153-R192 VanDerWaalsContact O-CZ 3.26Å; R153-R192 PolarHBondContact O-NH1 2.88Å; R153-R192 PolarHBondContact O-NH2 3.35Å
154	D	97	Very high	96.4	Very high	71 Å²	71	56.8 Å²	56.8	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-100.3	-29	-166.2	-63.8	5.6	0	0	0	113.9	Q150 R192	Q150-D154 PolarHBondContact NE2-OD2 3.29Å; Q150-D154 WeakPolarHBondContact O-CB 3.4Å; Q150-D154 PolarHBondContact O-N 2.92Å; D154-R192 VanDerWaalsContact C-CZ 3.43Å; D154-R192 PolarHBondContact O-NH1 3.39Å; D154-R192 PolarHBondContact O-NH2 2.61Å; D154-R192 VanDerWaalsContact O-NH2 3.16Å
155	S	97.9	Very high	95.9	Very high	18 Å²	18	62.4 Å²	62.4	13%	0.126	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-32.4	-169	-62.9	0	0	0	0	114.8	R151 G157 R192 F219 H220 H231	R151-S155 WeakPolarHBondContact O-CA 3.37Å; R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.35Å; S155-G157 PolarHBondContact O-N 2.92Å; S155-R192 VanDerWaalsContact N-NH1 3.14Å; S155-F219 WeakPolarHBondContact O-CA 3.39Å; S155-H220 WeakPolarHBondContact CB-O 3.42Å; S155-H220 PolarHBondContact O-N 2.79Å; S155-H220 PolarHBondContact OG-O 2.94Å; S155-H220 VanDerWaalsContact OG-O 3.05Å; S155-H231 WeakPolarHBondContact CB-NE2 3.4Å; S155-H231 PolarHBondContact OG-NE2 3Å
156	L	98.2	Very high	95.1	Very high	52 Å²	52	67.3 Å²	67.3	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.6	-176.6	176.9	64.2	0	0	0	111.8	R151 K152 R192 V217 Y218 F219	R151-L156 PolarHBondContact O-N 3.15Å; K152-L156 HydrophobicContact CB-CD2 4.25Å; K152-L156 HydrophobicContact CG-CD2 3.8Å; K152-L156 WeakPolarHBondContact O-CB 3.43Å; L156-R192 WeakPolarHBondContact O-CD 3.35Å; L156-R192 PolarHBondContact O-NH1 2.99Å; L156-V217 HydrophobicContact CD1-CG1 3.52Å; L156-Y218 CarbonylContact C-O 3.54Å; L156-Y218 WeakPolarHBondContact CA-O 3.36Å; L156-F219 HydrophobicContact CB-CD1 4.14Å; L156-F219 HydrophobicContact CB-CE1 3.85Å; L156-F219 HydrophobicContact CB-CZ 4.25Å; L156-F219 HydrophobicContact CD1-CD2 4.24Å; L156-F219 HydrophobicContact CD1-CE1 4.18Å; L156-F219 HydrophobicContact CD1-CE2 3.76Å; L156-F219 HydrophobicContact CD1-CZ 3.74Å; L156-F219 HydrophobicContact CG-CZ 4.44Å
157	G	97.2	Very high	94.2	Very high	14 Å²	14	76.8 Å²	76.8	14%	0.144	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	171.6	168.1	0	0	0	0	0	111.6	S155 Y218	S155-G157 PolarHBondContact O-N 2.92Å; G157-Y218 PolarHBondContact N-O 3.33Å; G157-Y218 WeakPolarHBondContact O-CD1 3.24Å; G157-Y218 PolarHBondContact O-N 3.47Å
158	Q	96.6	Very high	93	Very high	105 Å²	105	78.8 Å²	78.8	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.8	174	-171.1	169.3	24.4	0	0	109.1
159	G	96.2	Very high	91.5	Very high	6 Å²	6	79.8 Å²	79.8	6%	0.062	37%	0.367	C	S	.	.			trans	-67.3	137.6	177.8	0	0	0	0	0	110.5	F189 L216	G159-F189 CarbonylContact C-O 3.55Å; G159-F189 VanDerWaalsContact CA-O 3.27Å; G159-F189 WeakPolarHBondContact CA-O 3.36Å; G159-L216 PolarHBondContact N-O 2.77Å; G159-L216 WeakPolarHBondContact O-CD1 3.37Å
160	V	94.7	Very high	89.9	Confident	66 Å²	66	85 Å²	85	40%	0.4	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.2	179.7	-174.1	0	0	0	0	108.6	Q162 V188 F189	V160-Q162 HydrophobicContact CG1-CG 3.95Å; V160-V188 WeakPolarHBondContact O-CA 3.41Å; V160-F189 PolarHBondContact N-O 2.82Å; V160-F189 PolarHBondContact O-N 2.7Å
161	V	94.5	Very high	89	Confident	8 Å²	8	86.1 Å²	86.1	5%	0.048	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.7	178	-169.9	0	0	0	0	109.5	P86 L89 Y95 L186 V187 V188 L216	P86-V161 HydrophobicContact CB-CG2 3.83Å; P86-V161 HydrophobicContact CG-CG2 4.17Å; L89-V161 HydrophobicContact CD1-CG1 4.1Å; L89-V161 HydrophobicContact CD2-CB 4.44Å; L89-V161 HydrophobicContact CD2-CG1 4.02Å; Y95-V161 HydrophobicContact CD2-CG1 3.82Å; Y95-V161 HydrophobicContact CD2-CG2 3.89Å; Y95-V161 HydrophobicContact CE2-CG1 4.48Å; Y95-V161 HydrophobicContact CE2-CG2 3.84Å; V161-L186 HydrophobicContact CG1-CD1 3.79Å; V161-L186 HydrophobicContact CG1-CD2 3.72Å; V161-L186 HydrophobicContact CG1-CG 3.62Å; V161-V187 WeakPolarHBondContact CA-O 3.44Å; V161-V188 HydrophobicContact CG2-CG2 4.41Å; V161-L216 HydrophobicContact CG2-CD1 3.39Å
162	Q	91.4	Very high	88.6	Confident	98 Å²	98	86.3 Å²	86.3	46%	0.458	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151	178.3	-61.7	-177.2	-13.1	0	0	110.7	V160 V187 F189	V160-Q162 HydrophobicContact CG1-CG 3.95Å; Q162-V187 PolarHBondContact N-O 3.46Å; Q162-V187 PolarHBondContact O-N 3.04Å; Q162-F189 HydrophobicContact CB-CD2 4.32Å; Q162-F189 HydrophobicContact CB-CE2 4.25Å
163	M	90	Very high	88.4	Confident	80 Å²	80	85.5 Å²	85.5	39%	0.394	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136	164.9	-69.9	-178.5	73.4	0	0	109.6	H165 L186	M163-H165 PolarHBondContact O-CE1 2.82Å; M163-H165 VanDerWaalsContact O-CE1 3.3Å; M163-H165 PolarHBondContact O-N 2.99Å; M163-H165 PolarHBondContact O-ND1 3.25Å; M163-L186 HydrophobicContact CG-CD1 3.83Å
164	L	89.2	Confident	88.3	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.016	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-70.1	120.3	173.6	-83.2	175.4	0	0	0	110.7	T168 M172 L181 N182 G184 D185 V187 F189	L164-T168 HydrophobicContact CD2-CG2 4.43Å; L164-M172 HydrophobicContact CD2-SD 4.29Å; L164-L181 HydrophobicContact CD1-CB 3.46Å; L164-L181 VanDerWaalsContact CD1-CB 3.46Å; L164-L181 HydrophobicContact CD1-CD1 4.3Å; L164-L181 HydrophobicContact CD1-CG 4.37Å; L164-N182 WeakPolarHBondContact CB-O 3.35Å; L164-G184 PolarHBondContact O-N 2.9Å; L164-D185 HydrophobicContact CD1-CB 4.39Å; L164-D185 PolarHBondContact N-O 3.1Å; L164-V187 HydrophobicContact CD1-CG1 3.53Å; L164-V187 HydrophobicContact CD1-CG2 4.26Å; L164-V187 HydrophobicContact CD2-CG2 3.95Å; L164-V187 HydrophobicContact CG-CB 4.38Å; L164-V187 HydrophobicContact CG-CG1 3.79Å; L164-V187 HydrophobicContact CG-CG2 3.66Å; L164-F189 HydrophobicContact CD2-CE2 4.32Å; L164-F189 HydrophobicContact CD2-CZ 3.75Å
165	H	87.2	Confident	88.2	Confident	118 Å²	118	80.5 Å²	80.5	55%	0.546	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-101.4	156.6	176.2	-65.9	82.8	0	0	0	110.6	M163 R167 T168	M163-H165 PolarHBondContact O-CE1 2.82Å; M163-H165 VanDerWaalsContact O-CE1 3.3Å; M163-H165 PolarHBondContact O-N 2.99Å; M163-H165 PolarHBondContact O-ND1 3.25Å; H165-R167 PolarHBondContact O-N 2.91Å; H165-T168 PolarHBondContact O-N 3.43Å
166	R	82.1	Confident	88.1	Confident	215 Å²	215	84.2 Å²	84.2	81%	0.811	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.6	179.5	-140	176.8	-164.9	173.4	3.9	113.3	V183	R166-V183 HydrophobicContact CG-CG2 4.19Å
167	R	78.1	Confident	88.1	Confident	252 Å²	252	83.8 Å²	83.8	95%	0.951	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.4	178.9	-65.2	-177.5	-178.5	-179.2	0.8	113.7	H165 L169	H165-R167 PolarHBondContact O-N 2.91Å; R167-L169 VanDerWaalsContact C-N 3.32Å
168	T	73.5	Confident	88	Confident	65 Å²	65	87.7 Å²	87.7	40%	0.399	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.8	-179.5	-34.5	0	0	0	0	111.6	L164 H165 R170 F189	L164-T168 HydrophobicContact CD2-CG2 4.43Å; H165-T168 PolarHBondContact O-N 3.43Å; T168-R170 PolarHBondContact O-N 2.95Å; T168-F189 HydrophobicContact CG2-CZ 4.11Å
169	L	67.7	Low	87.9	Confident	41 Å²	41	87.9 Å²	87.9	22%	0.215	41%	0.408	C	S	.	.			trans	-90	106.7	-165.8	-122.1	153.6	0	0	0	112.8	R167 V183	R167-L169 VanDerWaalsContact C-N 3.32Å; L169-V183 HydrophobicContact CD1-CB 4.14Å; L169-V183 HydrophobicContact CD1-CG2 3.22Å
170	R	65.4	Low	87.8	Confident	230 Å²	230	94.1 Å²	94.1	87%	0.868	43%	0.43	S	S	*	.	S	Bend	trans	-119.5	97	149	-72.4	-176.7	-179.1	-175	0.5	106.5	T168 M172	T168-R170 PolarHBondContact O-N 2.95Å; R170-M172 PolarHBondContact O-N 3.49Å
171	D	79	Confident	87.7	Confident	115 Å²	115	91 Å²	91	62%	0.615	41%	0.411	S	S	*	.	S	Bend	trans	27.3	64.2	176.2	-68.3	-51.4	0	0	0	115.7	R180	D171-R180 IonicContact OD1-CZ 2.9Å; D171-R180 IonicContact OD1-NH1 3.76Å; D171-R180 PolarHBondContact OD1-NH1 3.25Å; D171-R180 IonicContact OD1-NH2 3Å; D171-R180 PolarHBondContact OD1-NH2 3.42Å
172	M	89.4	Confident	87.6	Confident	14 Å²	14	94.5 Å²	94.5	7%	0.069	43%	0.429	C	S	.	.			trans	-79.7	140.9	179.7	-69.3	-167.7	60.7	0	0	111.4	L164 R170 L181 F189 T196 A198	L164-M172 HydrophobicContact CD2-SD 4.29Å; R170-M172 PolarHBondContact O-N 3.49Å; M172-L181 HydrophobicContact CB-CB 4.41Å; M172-L181 HydrophobicContact CB-CD1 4.22Å; M172-L181 PolarHBondContact O-N 3.38Å; M172-F189 HydrophobicContact CE-CE1 3.84Å; M172-F189 HydrophobicContact CE-CZ 4.46Å; M172-F189 HydrophobicContact SD-CE1 4.26Å; M172-T196 WeakPolarHBondContact CE-O 3.49Å; M172-A198 HydrophobicContact CE-CB 3.37Å
173	T	93.7	Very high	87.5	Confident	79 Å²	79	93.8 Å²	93.8	49%	0.485	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-120.3	147.2	171.7	51	0	0	0	0	109.3	R175 Q179	T173-R175 PolarHBondContact O-N 3.3Å; T173-Q179 CarbonylContact C-O 3.49Å; T173-Q179 WeakPolarHBondContact CA-O 3.48Å
174	C	95.8	Very high	87.5	Confident	0 Å²	0	91.5 Å²	91.5	0%	0	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-62.9	123.7	174.5	174.8	0	0	0	0	109.1	R176 C177 C178 Q179 L181 A198 C203	C174-R176 PolarHBondContact O-N 3.45Å; C174-R176 VanDerWaalsContact O-N 3.09Å; C174-C177 VanDerWaalsContact CB-SG 3.53Å; C174-C177 VanDerWaalsContact SG-SG 3.6Å; C174-C178 WeakPolarHBondContact O-CA 3.48Å; C174-C178 PolarHBondContact O-N 2.84Å; C174-Q179 PolarHBondContact N-O 2.89Å; C174-L181 HydrophobicContact CB-CD1 4.5Å; C174-L181 HydrophobicContact CB-CD2 4.09Å; C174-L181 HydrophobicContact CB-CG 4.29Å; C174-A198 WeakPolarHBondContact CA-O 3.33Å; C174-C203 VanDerWaalsContact SG-CB 3.52Å
175	R	95.2	Very high	87.6	Confident	111 Å²	111	93.1 Å²	93.1	42%	0.419	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	-175.8	-179.7	57.4	173.7	-154	5.7	114.2	T173 H197 A198 W199	T173-R175 PolarHBondContact O-N 3.3Å; R175-H197 PolarHBondContact NH1-NE2 2.98Å; R175-A198 PolarHBondContact N-O 3.5Å; R175-W199 HydrophobicContact CB-CD2 4.16Å; R175-W199 HydrophobicContact CB-CH2 4.49Å; R175-W199 HydrophobicContact CB-CZ2 3.76Å; R175-W199 HydrophobicContact CG-CH2 4.47Å; R175-W199 HydrophobicContact CG-CZ2 3.63Å
176	R	95.9	Very high	87.9	Confident	97 Å²	97	87.6 Å²	87.6	37%	0.366	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-58.7	177.4	-176.6	-176.8	179.6	-169.1	4.1	113.4	C174 Y202 C203	C174-R176 PolarHBondContact O-N 3.45Å; C174-R176 VanDerWaalsContact O-N 3.09Å; R176-Y202 PolarHBondContact NH1-O 2.61Å; R176-Y202 VanDerWaalsContact NH1-O 3.12Å; R176-C203 HydrophobicContact CB-CB 3.89Å; R176-C203 WeakPolarHBondContact CD-O 3.37Å
177	C	96.6	Very high	88.5	Confident	43 Å²	43	77.4 Å²	77.4	29%	0.291	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.1	-173.5	67.4	0	0	0	0	113.4	C174 Q179 H200	C174-C177 VanDerWaalsContact CB-SG 3.53Å; C174-C177 VanDerWaalsContact SG-SG 3.6Å; C177-Q179 HydrophobicContact CB-CG 4.39Å; C177-Q179 PolarHBondContact O-N 2.81Å; C177-H200 VanDerWaalsContact SG-CE1 3.53Å; C177-H200 PolarHBondContact SG-ND1 3.3Å; C177-H200 VanDerWaalsContact SG-ND1 3.38Å
178	C	95.6	Very high	89.3	Confident	96 Å²	96	65.4 Å²	65.4	65%	0.649	33%	0.328	S	S	*	.			trans	59.5	8.8	-178.3	-56.9	0	0	0	0	114.8	C174	C174-C178 WeakPolarHBondContact O-CA 3.48Å; C174-C178 PolarHBondContact O-N 2.84Å
179	Q	95.3	Very high	90.3	Very high	109 Å²	109	63.4 Å²	63.4	51%	0.509	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-76.4	149.3	176.1	-65.5	176	-23.5	0	0	110.8	T173 C174 C177	T173-Q179 CarbonylContact C-O 3.49Å; T173-Q179 WeakPolarHBondContact CA-O 3.48Å; C174-Q179 PolarHBondContact N-O 2.89Å; C177-Q179 HydrophobicContact CB-CG 4.39Å; C177-Q179 PolarHBondContact O-N 2.81Å
180	R	93.5	Very high	91.6	Very high	137 Å²	137	61.5 Å²	61.5	52%	0.517	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-62.9	137.6	178.4	-174.8	178.1	177	95.3	7.2	110.7	D171	D171-R180 IonicContact OD1-CZ 2.9Å; D171-R180 IonicContact OD1-NH1 3.76Å; D171-R180 PolarHBondContact OD1-NH1 3.25Å; D171-R180 IonicContact OD1-NH2 3Å; D171-R180 PolarHBondContact OD1-NH2 3.42Å
181	L	93.7	Very high	92.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-99.1	130.1	171.3	-62.2	169.1	0	0	0	109.5	L164 M172 C174 V187 A198 H200	L164-L181 HydrophobicContact CD1-CB 3.46Å; L164-L181 VanDerWaalsContact CD1-CB 3.46Å; L164-L181 HydrophobicContact CD1-CD1 4.3Å; L164-L181 HydrophobicContact CD1-CG 4.37Å; M172-L181 HydrophobicContact CB-CB 4.41Å; M172-L181 HydrophobicContact CB-CD1 4.22Å; M172-L181 PolarHBondContact O-N 3.38Å; C174-L181 HydrophobicContact CB-CD1 4.5Å; C174-L181 HydrophobicContact CB-CD2 4.09Å; C174-L181 HydrophobicContact CB-CG 4.29Å; L181-V187 HydrophobicContact CD1-CG1 4.12Å; L181-V187 HydrophobicContact CD2-CG1 3.8Å; L181-V187 HydrophobicContact CG-CG1 4.42Å; L181-A198 HydrophobicContact CD1-CB 3.71Å; L181-H200 VanDerWaalsContact CD2-NE2 3.27Å; L181-H200 WeakPolarHBondContact CD2-NE2 3.37Å
182	N	91.5	Very high	93.7	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	28%	0.279	S	S	.	.			trans	-104.4	161.4	-175.3	-58.3	-63.6	0	0	0	112.1	L164 G184 D185	L164-N182 WeakPolarHBondContact CB-O 3.35Å; N182-G184 PolarHBondContact O-N 2.98Å; N182-D185 WeakPolarHBondContact CA-OD2 3.18Å; N182-D185 WeakPolarHBondContact CB-OD2 3.37Å; N182-D185 PolarHBondContact N-OD2 3.03Å; N182-D185 WeakPolarHBondContact O-CB 3.49Å; N182-D185 PolarHBondContact O-N 2.98Å; N182-D185 VanDerWaalsContact O-N 3.08Å
183	V	90	Very high	93.9	Very high	83 Å²	83	53.5 Å²	53.5	50%	0.503	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	132.8	169.3	-175.4	0	0	0	0	108.6	R166 L169 D185	R166-V183 HydrophobicContact CG-CG2 4.19Å; L169-V183 HydrophobicContact CD1-CB 4.14Å; L169-V183 HydrophobicContact CD1-CG2 3.22Å; V183-D185 VanDerWaalsContact C-N 3.32Å
184	G	89.4	Confident	93.7	Very high	33 Å²	33	50.8 Å²	50.8	34%	0.34	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-11	-178.1	0	0	0	0	0	114.2	L164 N182 L186	L164-G184 PolarHBondContact O-N 2.9Å; N182-G184 PolarHBondContact O-N 2.98Å; G184-L186 PolarHBondContact O-N 3.08Å
185	D	91.8	Very high	93	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.193	30%	0.304	C	S	.	.			trans	-67.7	135.5	173.9	-74.7	-25.3	0	0	0	110.6	L164 N182 V183 V187	L164-D185 HydrophobicContact CD1-CB 4.39Å; L164-D185 PolarHBondContact N-O 3.1Å; N182-D185 WeakPolarHBondContact CA-OD2 3.18Å; N182-D185 WeakPolarHBondContact CB-OD2 3.37Å; N182-D185 PolarHBondContact N-OD2 3.03Å; N182-D185 WeakPolarHBondContact O-CB 3.49Å; N182-D185 PolarHBondContact O-N 2.98Å; N182-D185 VanDerWaalsContact O-N 3.08Å; V183-D185 VanDerWaalsContact C-N 3.32Å; D185-V187 HydrophobicContact CB-CG1 4.33Å
186	L	92.6	Very high	92.5	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.6	169.1	-162	78.1	0	0	0	108.7	L89 Y95 V161 M163 G184 P201	L89-L186 HydrophobicContact CD1-CD1 4.06Å; Y95-L186 HydrophobicContact CD2-CD2 4Å; Y95-L186 HydrophobicContact CG-CD2 4.35Å; V161-L186 HydrophobicContact CG1-CD1 3.79Å; V161-L186 HydrophobicContact CG1-CD2 3.72Å; V161-L186 HydrophobicContact CG1-CG 3.62Å; M163-L186 HydrophobicContact CG-CD1 3.83Å; G184-L186 PolarHBondContact O-N 3.08Å; L186-P201 HydrophobicContact CD2-CG 4.18Å; L186-P201 VanDerWaalsContact O-CD 3.26Å; L186-P201 WeakPolarHBondContact O-CD 3.49Å
187	V	94.3	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.7	-177.8	-58.6	0	0	0	0	111.4	V161 Q162 L164 L181 D185 F189 A198 W199	V161-V187 WeakPolarHBondContact CA-O 3.44Å; Q162-V187 PolarHBondContact N-O 3.46Å; Q162-V187 PolarHBondContact O-N 3.04Å; L164-V187 HydrophobicContact CD1-CG1 3.53Å; L164-V187 HydrophobicContact CD1-CG2 4.26Å; L164-V187 HydrophobicContact CD2-CG2 3.95Å; L164-V187 HydrophobicContact CG-CB 4.38Å; L164-V187 HydrophobicContact CG-CG1 3.79Å; L164-V187 HydrophobicContact CG-CG2 3.66Å; L181-V187 HydrophobicContact CD1-CG1 4.12Å; L181-V187 HydrophobicContact CD2-CG1 3.8Å; L181-V187 HydrophobicContact CG-CG1 4.42Å; D185-V187 HydrophobicContact CB-CG1 4.33Å; V187-F189 HydrophobicContact CG2-CD2 3.88Å; V187-F189 HydrophobicContact CG2-CE2 3.33Å; V187-F189 HydrophobicContact CG2-CZ 3.81Å; V187-A198 HydrophobicContact CB-CB 4.16Å; V187-A198 HydrophobicContact CG2-CB 4.23Å; V187-W199 CarbonylContact C-O 3.53Å; V187-W199 VanDerWaalsContact CA-O 3.3Å; V187-W199 WeakPolarHBondContact CA-O 3.48Å
188	V	95.7	Very high	92.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	171.1	-171.7	0	0	0	0	107.9	Y95 V160 V161 A198 W199 F204 L216	Y95-V188 HydrophobicContact CE2-CG2 4.5Å; V160-V188 WeakPolarHBondContact O-CA 3.41Å; V161-V188 HydrophobicContact CG2-CG2 4.41Å; V188-A198 WeakPolarHBondContact O-CA 3.31Å; V188-W199 PolarHBondContact N-O 3.23Å; V188-W199 PolarHBondContact O-N 3.49Å; V188-F204 HydrophobicContact CB-CB 4.29Å; V188-F204 HydrophobicContact CB-CD2 3.98Å; V188-F204 HydrophobicContact CB-CG 4.09Å; V188-F204 HydrophobicContact CG1-CB 4.45Å; V188-F204 HydrophobicContact CG1-CD1 4Å; V188-F204 HydrophobicContact CG1-CD2 3.69Å; V188-F204 HydrophobicContact CG1-CE1 4.13Å; V188-F204 HydrophobicContact CG1-CE2 3.83Å; V188-F204 HydrophobicContact CG1-CG 3.77Å; V188-F204 HydrophobicContact CG1-CZ 4.04Å; V188-F204 HydrophobicContact CG2-CB 4.2Å; V188-F204 HydrophobicContact CG2-CG 4.4Å; V188-L216 HydrophobicContact CG1-CD2 4.14Å; V188-L216 HydrophobicContact CG2-CD2 4.26Å
189	F	94.7	Very high	92.3	Very high	24 Å²	24	48.4 Å²	48.4	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.1	170.5	-72.1	-83.1	0	0	0	110.7	G159 V160 Q162 L164 T168 M172 V187 H197 A198	G159-F189 CarbonylContact C-O 3.55Å; G159-F189 VanDerWaalsContact CA-O 3.27Å; G159-F189 WeakPolarHBondContact CA-O 3.36Å; V160-F189 PolarHBondContact N-O 2.82Å; V160-F189 PolarHBondContact O-N 2.7Å; Q162-F189 HydrophobicContact CB-CD2 4.32Å; Q162-F189 HydrophobicContact CB-CE2 4.25Å; L164-F189 HydrophobicContact CD2-CE2 4.32Å; L164-F189 HydrophobicContact CD2-CZ 3.75Å; T168-F189 HydrophobicContact CG2-CZ 4.11Å; M172-F189 HydrophobicContact CE-CE1 3.84Å; M172-F189 HydrophobicContact CE-CZ 4.46Å; M172-F189 HydrophobicContact SD-CE1 4.26Å; V187-F189 HydrophobicContact CG2-CD2 3.88Å; V187-F189 HydrophobicContact CG2-CE2 3.33Å; V187-F189 HydrophobicContact CG2-CZ 3.81Å; F189-H197 WeakPolarHBondContact CD1-O 3.46Å; F189-A198 HydrophobicContact CD1-CB 4.05Å; F189-A198 HydrophobicContact CE1-CB 3.88Å; F189-A198 HydrophobicContact CZ-CB 4.33Å
190	A	95.5	Very high	92.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	25%	0.245	C	C	.	.			trans	-127.3	88	177.3	0	0	0	0	0	109.9	R192 V193 G194 W199 F204 Y218	A190-R192 PolarHBondContact O-N 3.26Å; A190-V193 HydrophobicContact CB-CB 4.37Å; A190-V193 HydrophobicContact CB-CG2 3.84Å; A190-V193 WeakPolarHBondContact O-CB 3.37Å; A190-V193 PolarHBondContact O-N 2.83Å; A190-G194 PolarHBondContact O-N 2.64Å; A190-W199 HydrophobicContact CB-CE3 4.37Å; A190-W199 HydrophobicContact CB-CH2 3.85Å; A190-W199 HydrophobicContact CB-CZ3 3.5Å; A190-F204 HydrophobicContact CB-CE2 4.03Å; A190-F204 HydrophobicContact CB-CZ 4.33Å; A190-Y218 WeakPolarHBondContact CA-OH 3.35Å; A190-Y218 HydrophobicContact CB-CD1 4.45Å; A190-Y218 HydrophobicContact CB-CE1 3.73Å; A190-Y218 HydrophobicContact CB-CE2 4.07Å
191	A	92.7	Very high	92.4	Very high	69 Å²	69	37.7 Å²	37.7	57%	0.57	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.1	-170.4	0	0	0	0	0	114	V193 G194 Y218	A191-V193 VanDerWaalsContact C-N 3.3Å; A191-V193 PolarHBondContact O-N 3.26Å; A191-G194 PolarHBondContact O-N 3.16Å; A191-Y218 PolarHBondContact N-OH 2.65Å
192	R	94	Very high	92.6	Very high	100 Å²	100	42.5 Å²	42.5	38%	0.377	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.5	-179.5	-52	-160.8	78.7	172.3	8.1	115.1	K152 R153 D154 S155 L156 A190 Y218 H220	K152-R192 PolarHBondContact O-NH1 2.89Å; R153-R192 VanDerWaalsContact O-CZ 3.26Å; R153-R192 PolarHBondContact O-NH1 2.88Å; R153-R192 PolarHBondContact O-NH2 3.35Å; D154-R192 VanDerWaalsContact C-CZ 3.43Å; D154-R192 PolarHBondContact O-NH1 3.39Å; D154-R192 PolarHBondContact O-NH2 2.61Å; D154-R192 VanDerWaalsContact O-NH2 3.16Å; S155-R192 VanDerWaalsContact N-NH1 3.14Å; L156-R192 WeakPolarHBondContact O-CD 3.35Å; L156-R192 PolarHBondContact O-NH1 2.99Å; A190-R192 PolarHBondContact O-N 3.26Å; R192-Y218 HydrophobicContact CB-CE2 4.29Å; R192-Y218 WeakPolarHBondContact CB-OH 3.43Å; R192-Y218 PolarHBondContact N-OH 2.59Å; R192-Y218 VanDerWaalsContact N-OH 3.08Å; R192-H220 HydrophobicContact CB-CB 4.47Å
193	V	94.1	Very high	92.9	Very high	21 Å²	21	38.7 Å²	38.7	13%	0.127	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-30.9	173.5	-171.8	0	0	0	0	110	A190 A191 H197 W199 Y218 H220 I225	A190-V193 HydrophobicContact CB-CB 4.37Å; A190-V193 HydrophobicContact CB-CG2 3.84Å; A190-V193 WeakPolarHBondContact O-CB 3.37Å; A190-V193 PolarHBondContact O-N 2.83Å; A191-V193 VanDerWaalsContact C-N 3.3Å; A191-V193 PolarHBondContact O-N 3.26Å; V193-H197 HydrophobicContact CG1-CB 4.23Å; V193-W199 HydrophobicContact CB-CH2 4.14Å; V193-W199 HydrophobicContact CG1-CH2 4.11Å; V193-W199 HydrophobicContact CG2-CH2 4.12Å; V193-Y218 HydrophobicContact CG2-CE2 4.14Å; V193-H220 HydrophobicContact CG2-CB 4.19Å; V193-I225 HydrophobicContact CG2-CG2 3.51Å
194	G	89.5	Confident	93.3	Very high	23 Å²	23	34.9 Å²	34.9	24%	0.237	20%	0.196	C	C	.	.			trans	132.2	150	176	0	0	0	0	0	111.7	A190 A191 T196 H197	A190-G194 PolarHBondContact O-N 2.64Å; A191-G194 PolarHBondContact O-N 3.16Å; G194-T196 PolarHBondContact O-N 2.95Å; G194-H197 PolarHBondContact O-N 3.03Å
195	D	82.3	Confident	93.7	Very high	135 Å²	135	33.6 Å²	33.6	72%	0.722	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.6	-169.6	-56.2	-25.5	0	0	0	114.5
196	T	84	Confident	94	Very high	113 Å²	113	31.9 Å²	31.9	69%	0.693	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.9	176.6	57.1	0	0	0	0	113.4	M172 G194	M172-T196 WeakPolarHBondContact CE-O 3.49Å; G194-T196 PolarHBondContact O-N 2.95Å
197	H	91.4	Very high	94.3	Very high	38 Å²	38	34.8 Å²	34.8	18%	0.176	19%	0.186	C	C	.	.			trans	-102	125.1	179.9	-64.4	81.8	0	0	0	110.9	R175 F189 V193 G194 W199	R175-H197 PolarHBondContact NH1-NE2 2.98Å; F189-H197 WeakPolarHBondContact CD1-O 3.46Å; V193-H197 HydrophobicContact CG1-CB 4.23Å; G194-H197 PolarHBondContact O-N 3.03Å; H197-W199 HydrophobicContact CB-CH2 3.55Å; H197-W199 HydrophobicContact CB-CZ2 4.45Å; H197-W199 HydrophobicContact CB-CZ3 3.72Å; H197-W199 WeakPolarHBondContact O-CZ3 3.4Å
198	A	94.7	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.7	173.7	0	0	0	0	0	112	M172 C174 R175 L181 V187 V188 F189	M172-A198 HydrophobicContact CE-CB 3.37Å; C174-A198 WeakPolarHBondContact CA-O 3.33Å; R175-A198 PolarHBondContact N-O 3.5Å; L181-A198 HydrophobicContact CD1-CB 3.71Å; V187-A198 HydrophobicContact CB-CB 4.16Å; V187-A198 HydrophobicContact CG2-CB 4.23Å; V188-A198 WeakPolarHBondContact O-CA 3.31Å; F189-A198 HydrophobicContact CD1-CB 4.05Å; F189-A198 HydrophobicContact CE1-CB 3.88Å; F189-A198 HydrophobicContact CZ-CB 4.33Å
199	W	97.1	Very high	94.6	Very high	10 Å²	10	40.8 Å²	40.8	4%	0.038	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	178.6	-63.8	-107.2	0	0	0	109.9	R175 V187 V188 A190 V193 H197 C203 F204 I225	R175-W199 HydrophobicContact CB-CD2 4.16Å; R175-W199 HydrophobicContact CB-CH2 4.49Å; R175-W199 HydrophobicContact CB-CZ2 3.76Å; R175-W199 HydrophobicContact CG-CH2 4.47Å; R175-W199 HydrophobicContact CG-CZ2 3.63Å; V187-W199 CarbonylContact C-O 3.53Å; V187-W199 VanDerWaalsContact CA-O 3.3Å; V187-W199 WeakPolarHBondContact CA-O 3.48Å; V188-W199 PolarHBondContact N-O 3.23Å; V188-W199 PolarHBondContact O-N 3.49Å; A190-W199 HydrophobicContact CB-CE3 4.37Å; A190-W199 HydrophobicContact CB-CH2 3.85Å; A190-W199 HydrophobicContact CB-CZ3 3.5Å; V193-W199 HydrophobicContact CB-CH2 4.14Å; V193-W199 HydrophobicContact CG1-CH2 4.11Å; V193-W199 HydrophobicContact CG2-CH2 4.12Å; H197-W199 HydrophobicContact CB-CH2 3.55Å; H197-W199 HydrophobicContact CB-CZ2 4.45Å; H197-W199 HydrophobicContact CB-CZ3 3.72Å; H197-W199 WeakPolarHBondContact O-CZ3 3.4Å; W199-C203 HydrophobicContact CB-CB 4.17Å; W199-F204 HydrophobicContact CB-CB 4.15Å; W199-F204 HydrophobicContact CB-CD2 3.94Å; W199-F204 AromaticContact CD2-CD2 3.78Å; W199-F204 HydrophobicContact CD2-CD2 3.78Å; W199-F204 HydrophobicContact CD2-CE2 4.12Å; W199-F204 AromaticContact CE3-CD2 3.92Å; W199-F204 HydrophobicContact CE3-CD2 3.92Å; W199-F204 AromaticContact CE3-CE2 3.92Å; W199-F204 HydrophobicContact CE3-CE2 3.92Å; W199-F204 AromaticContact CG-CD2 3.8Å; W199-F204 HydrophobicContact CG-CD2 3.8Å; W199-F204 HydrophobicContact CZ3-CE2 4.34Å; W199-I225 HydrophobicContact CD2-CD1 4.43Å; W199-I225 HydrophobicContact CZ2-CD1 3.93Å; W199-I225 HydrophobicContact CZ2-CG2 4.43Å
200	H	96.5	Very high	94.7	Very high	20 Å²	20	45.8 Å²	45.8	9%	0.093	24%	0.243	C	C	.	.			trans	-58.6	151.7	156.6	-57.4	117.5	0	0	0	109.7	C177 L181 Y202 C203 F204	C177-H200 VanDerWaalsContact SG-CE1 3.53Å; C177-H200 PolarHBondContact SG-ND1 3.3Å; C177-H200 VanDerWaalsContact SG-ND1 3.38Å; L181-H200 VanDerWaalsContact CD2-NE2 3.27Å; L181-H200 WeakPolarHBondContact CD2-NE2 3.37Å; H200-Y202 VanDerWaalsContact C-N 3.3Å; H200-Y202 HydrophobicContact CB-CD1 3.71Å; H200-Y202 HydrophobicContact CB-CE1 3.47Å; H200-Y202 VanDerWaalsContact CB-CE1 3.47Å; H200-Y202 AromaticContact CG-CE1 3.79Å; H200-Y202 AromaticContact ND1-CE1 4Å; H200-Y202 AromaticContact ND1-CZ 3.98Å; H200-Y202 PolarHBondContact O-N 2.69Å; H200-C203 HydrophobicContact CB-CB 3.89Å; H200-C203 CarbonylContact O-C 3.53Å; H200-C203 WeakPolarHBondContact O-CA 3.45Å; H200-C203 WeakPolarHBondContact O-CB 3.33Å; H200-C203 PolarHBondContact O-N 3.35Å; H200-F204 PolarHBondContact O-N 3.49Å
201	P	96.1	Very high	94.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.013	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-47.7	-49	174.9	-33	37.5	0	0	0	113.7	Y95 R98 L99 L186 C203 F204	Y95-P201 HydrophobicContact CD2-CB 3.96Å; Y95-P201 HydrophobicContact CD2-CG 4.03Å; Y95-P201 HydrophobicContact CE2-CB 3.69Å; Y95-P201 HydrophobicContact CE2-CG 4.16Å; R98-P201 HydrophobicContact CB-CB 3.91Å; R98-P201 HydrophobicContact CB-CG 3.99Å; R98-P201 HydrophobicContact CG-CG 4.22Å; L99-P201 HydrophobicContact CD2-CB 4.07Å; L186-P201 HydrophobicContact CD2-CG 4.18Å; L186-P201 VanDerWaalsContact O-CD 3.26Å; L186-P201 WeakPolarHBondContact O-CD 3.49Å; P201-C203 PolarHBondContact O-N 2.85Å; P201-F204 PolarHBondContact O-N 3.32Å
202	Y	96.6	Very high	95.1	Very high	100 Å²	100	46 Å²	46	39%	0.392	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-72.3	-16.4	177.9	74.9	-90.3	0	0	0	114.2	R176 H200	R176-Y202 PolarHBondContact NH1-O 2.61Å; R176-Y202 VanDerWaalsContact NH1-O 3.12Å; H200-Y202 VanDerWaalsContact C-N 3.3Å; H200-Y202 HydrophobicContact CB-CD1 3.71Å; H200-Y202 HydrophobicContact CB-CE1 3.47Å; H200-Y202 VanDerWaalsContact CB-CE1 3.47Å; H200-Y202 AromaticContact CG-CE1 3.79Å; H200-Y202 AromaticContact ND1-CE1 4Å; H200-Y202 AromaticContact ND1-CZ 3.98Å; H200-Y202 PolarHBondContact O-N 2.69Å
203	C	97.7	Very high	95.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-86.9	-12.2	177.8	-82.1	0	0	0	0	113.1	C174 R176 W199 H200 P201 V205	C174-C203 VanDerWaalsContact SG-CB 3.52Å; R176-C203 HydrophobicContact CB-CB 3.89Å; R176-C203 WeakPolarHBondContact CD-O 3.37Å; W199-C203 HydrophobicContact CB-CB 4.17Å; H200-C203 HydrophobicContact CB-CB 3.89Å; H200-C203 CarbonylContact O-C 3.53Å; H200-C203 WeakPolarHBondContact O-CA 3.45Å; H200-C203 WeakPolarHBondContact O-CB 3.33Å; H200-C203 PolarHBondContact O-N 3.35Å; P201-C203 PolarHBondContact O-N 2.85Å; C203-V205 VanDerWaalsContact C-N 3.3Å; C203-V205 PolarHBondContact O-N 3.07Å
204	F	98	Very high	95.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.211	C	C	.	.			trans	-80.8	76.2	179.9	-160.3	-105.5	0	0	0	111.1	V188 A190 W199 H200 P201 L213 L216 Y218 I225	V188-F204 HydrophobicContact CB-CB 4.29Å; V188-F204 HydrophobicContact CB-CD2 3.98Å; V188-F204 HydrophobicContact CB-CG 4.09Å; V188-F204 HydrophobicContact CG1-CB 4.45Å; V188-F204 HydrophobicContact CG1-CD1 4Å; V188-F204 HydrophobicContact CG1-CD2 3.69Å; V188-F204 HydrophobicContact CG1-CE1 4.13Å; V188-F204 HydrophobicContact CG1-CE2 3.83Å; V188-F204 HydrophobicContact CG1-CG 3.77Å; V188-F204 HydrophobicContact CG1-CZ 4.04Å; V188-F204 HydrophobicContact CG2-CB 4.2Å; V188-F204 HydrophobicContact CG2-CG 4.4Å; A190-F204 HydrophobicContact CB-CE2 4.03Å; A190-F204 HydrophobicContact CB-CZ 4.33Å; W199-F204 HydrophobicContact CB-CB 4.15Å; W199-F204 HydrophobicContact CB-CD2 3.94Å; W199-F204 AromaticContact CD2-CD2 3.78Å; W199-F204 HydrophobicContact CD2-CD2 3.78Å; W199-F204 HydrophobicContact CD2-CE2 4.12Å; W199-F204 AromaticContact CE3-CD2 3.92Å; W199-F204 HydrophobicContact CE3-CD2 3.92Å; W199-F204 AromaticContact CE3-CE2 3.92Å; W199-F204 HydrophobicContact CE3-CE2 3.92Å; W199-F204 AromaticContact CG-CD2 3.8Å; W199-F204 HydrophobicContact CG-CD2 3.8Å; W199-F204 HydrophobicContact CZ3-CE2 4.34Å; H200-F204 PolarHBondContact O-N 3.49Å; P201-F204 PolarHBondContact O-N 3.32Å; F204-L213 HydrophobicContact CD1-CB 3.86Å; F204-L213 HydrophobicContact CD1-CD1 3.84Å; F204-L213 HydrophobicContact CD1-CG 4.42Å; F204-L213 HydrophobicContact CE1-CB 3.92Å; F204-L213 HydrophobicContact CE1-CD1 3.66Å; F204-L213 HydrophobicContact CE1-CG 4.43Å; F204-L213 HydrophobicContact CG-CD1 4.38Å; F204-L213 HydrophobicContact CZ-CD1 4.06Å; F204-L213 PolarHBondContact O-N 3.17Å; F204-L216 HydrophobicContact CD1-CD2 3.87Å; F204-L216 HydrophobicContact CE1-CB 4.37Å; F204-L216 HydrophobicContact CE1-CD2 4.34Å; F204-Y218 HydrophobicContact CE1-CD1 4.24Å; F204-Y218 AromaticContact CZ-CD1 3.62Å; F204-Y218 HydrophobicContact CZ-CD1 3.62Å; F204-Y218 HydrophobicContact CZ-CE1 4.27Å; F204-Y218 HydrophobicContact CZ-CG 4.03Å; F204-I225 HydrophobicContact CD2-CD1 3.75Å; F204-I225 HydrophobicContact CE2-CD1 3.55Å; F204-I225 HydrophobicContact CG-CD1 4.45Å; F204-I225 HydrophobicContact CZ-CD1 4.1Å
205	V	98.5	Very high	95.9	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-122.3	160.9	-175.1	-58.9	0	0	0	0	112.1	C203 R210 E211 L212	C203-V205 VanDerWaalsContact C-N 3.3Å; C203-V205 PolarHBondContact O-N 3.07Å; V205-R210 WeakPolarHBondContact CB-O 3.49Å; V205-R210 WeakPolarHBondContact CG1-O 3.43Å; V205-E211 CarbonylContact C-O 3.57Å; V205-E211 WeakPolarHBondContact CA-O 3.48Å; V205-E211 WeakPolarHBondContact CB-O 3.34Å; V205-L212 HydrophobicContact CG1-CD2 3.94Å; V205-L212 HydrophobicContact CG1-CG 4.46Å
206	C	98.8	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.			trans	-62.7	135.9	169.5	175.7	0	0	0	0	110.9	T208 C209 R210 E211 L213 C227 H230	C206-T208 VanDerWaalsContact C-N 3.27Å; C206-T208 PolarHBondContact O-N 3.33Å; C206-T208 PolarHBondContact SG-N 3.38Å; C206-T208 VanDerWaalsContact SG-N 3.43Å; C206-C209 VanDerWaalsContact CB-SG 3.6Å; C206-R210 WeakPolarHBondContact O-CA 3.39Å; C206-R210 PolarHBondContact O-N 3.36Å; C206-E211 PolarHBondContact N-O 3.19Å; C206-L213 HydrophobicContact CB-CD2 3.93Å; C206-C227 HydrophobicContact CB-CB 4.06Å; C206-C227 PolarHBondContact SG-N 3.13Å; C206-H230 PolarHBondContact SG-ND1 3.17Å; C206-H230 VanDerWaalsContact SG-ND1 3.36Å
207	H	98.3	Very high	97.3	Very high	64 Å²	64	30.6 Å²	30.6	30%	0.296	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.4	176.7	-174.4	93.7	0	0	0	113	R210 E224 I225 Y226	H207-R210 WeakPolarHBondContact O-CD 3.23Å; H207-R210 PolarHBondContact O-NE 2.89Å; H207-R210 VanDerWaalsContact O-NE 3.11Å; H207-R210 PolarHBondContact O-NH1 3.3Å; H207-E224 HydrophobicContact CB-CB 4.38Å; H207-E224 IonicContact CE1-OE2 3.73Å; H207-E224 PolarHBondContact CE1-OE2 3.13Å; H207-E224 IonicContact CG-OE2 2.77Å; H207-E224 IonicContact ND1-OE2 2.81Å; H207-E224 PolarHBondContact ND1-OE2 2.91Å; H207-I225 WeakPolarHBondContact CB-O 3.38Å; H207-I225 PolarHBondContact N-O 3.23Å; H207-Y226 HydrophobicContact CB-CD1 3.99Å; H207-Y226 HydrophobicContact CB-CE1 3.68Å
208	T	98.2	Very high	97.6	Very high	73 Å²	73	28.9 Å²	28.9	45%	0.448	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-67.1	-177.1	-49.6	0	0	0	0	112.9	C206 R210 H230	C206-T208 VanDerWaalsContact C-N 3.27Å; C206-T208 PolarHBondContact O-N 3.33Å; C206-T208 PolarHBondContact SG-N 3.38Å; C206-T208 VanDerWaalsContact SG-N 3.43Å; T208-R210 VanDerWaalsContact C-N 3.35Å; T208-R210 PolarHBondContact O-N 2.88Å; T208-H230 HydrophobicContact CG2-CB 4.41Å
209	C	97.9	Very high	97.8	Very high	52 Å²	52	29.4 Å²	29.4	35%	0.351	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.2	-176.1	58.1	0	0	0	0	115.1	C206 E211 H230	C206-C209 VanDerWaalsContact CB-SG 3.6Å; C209-E211 PolarHBondContact O-N 3.47Å; C209-H230 WeakPolarHBondContact CB-CE1 3.19Å; C209-H230 PolarHBondContact SG-CE1 2.83Å
210	R	97.8	Very high	97.8	Very high	130 Å²	130	31.1 Å²	31.1	49%	0.491	15%	0.15	S	C	.	.			trans	60.3	12.2	-177.9	-50.5	-58.7	-171.4	179.9	-4.1	115.1	V205 C206 H207 T208	V205-R210 WeakPolarHBondContact CB-O 3.49Å; V205-R210 WeakPolarHBondContact CG1-O 3.43Å; C206-R210 WeakPolarHBondContact O-CA 3.39Å; C206-R210 PolarHBondContact O-N 3.36Å; H207-R210 WeakPolarHBondContact O-CD 3.23Å; H207-R210 PolarHBondContact O-NE 2.89Å; H207-R210 VanDerWaalsContact O-NE 3.11Å; H207-R210 PolarHBondContact O-NH1 3.3Å; T208-R210 VanDerWaalsContact C-N 3.35Å; T208-R210 PolarHBondContact O-N 2.88Å
211	E	98.2	Very high	97.8	Very high	56 Å²	56	32.7 Å²	32.7	26%	0.262	16%	0.157	S	C	.	.			trans	-79.2	148.5	171.2	-76.4	-65.5	174.7	0	0	112.4	K103 V205 C206 C209 L213	K103-E211 IonicContact NZ-OE1 3.11Å; K103-E211 IonicContact NZ-OE2 3.67Å; K103-E211 PolarHBondContact NZ-OE2 3.29Å; V205-E211 CarbonylContact C-O 3.57Å; V205-E211 WeakPolarHBondContact CA-O 3.48Å; V205-E211 WeakPolarHBondContact CB-O 3.34Å; C206-E211 PolarHBondContact N-O 3.19Å; C209-E211 PolarHBondContact O-N 3.47Å; E211-L213 PolarHBondContact O-N 3.43Å
212	L	98.3	Very high	97.8	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-54.1	130.8	174.8	-68.8	173.1	0	0	0	110.1	L99 K103 W114 Q122 V205 I214	L99-L212 HydrophobicContact CD1-CD1 4.44Å; L99-L212 HydrophobicContact CD2-CD1 4.07Å; L99-L212 HydrophobicContact CD2-CD2 4.31Å; K103-L212 HydrophobicContact CB-CD1 4.38Å; K103-L212 HydrophobicContact CD-CD1 3.77Å; W114-L212 HydrophobicContact CH2-CB 3.91Å; W114-L212 HydrophobicContact CH2-CD1 4.13Å; W114-L212 HydrophobicContact CZ2-CB 4.36Å; Q122-L212 PolarHBondContact NE2-O 3.39Å; Q122-L212 PolarHBondContact OE1-O 3.32Å; V205-L212 HydrophobicContact CG1-CD2 3.94Å; V205-L212 HydrophobicContact CG1-CG 4.46Å; L212-I214 PolarHBondContact O-N 3.16Å; L212-I214 VanDerWaalsContact O-N 3.13Å
213	L	98.6	Very high	97.5	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	18%	0.184	C	C	.	.			trans	-69.1	112	179.4	-73.2	163.1	0	0	0	109.3	F204 C206 E211 D215 L216 I225 C227	F204-L213 HydrophobicContact CD1-CB 3.86Å; F204-L213 HydrophobicContact CD1-CD1 3.84Å; F204-L213 HydrophobicContact CD1-CG 4.42Å; F204-L213 HydrophobicContact CE1-CB 3.92Å; F204-L213 HydrophobicContact CE1-CD1 3.66Å; F204-L213 HydrophobicContact CE1-CG 4.43Å; F204-L213 HydrophobicContact CG-CD1 4.38Å; F204-L213 HydrophobicContact CZ-CD1 4.06Å; F204-L213 PolarHBondContact O-N 3.17Å; C206-L213 HydrophobicContact CB-CD2 3.93Å; E211-L213 PolarHBondContact O-N 3.43Å; L213-D215 PolarHBondContact O-N 3.16Å; L213-L216 WeakPolarHBondContact O-CA 3.43Å; L213-L216 PolarHBondContact O-N 3.43Å; L213-I225 HydrophobicContact CD1-CB 4.23Å; L213-I225 HydrophobicContact CD1-CD1 3.59Å; L213-I225 HydrophobicContact CD1-CG1 3.95Å; L213-C227 HydrophobicContact CD2-CB 3.93Å
214	I	97.7	Very high	97.5	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.036	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64	133.5	-167.6	-163	55.2	0	0	0	110.8	W114 R115 Q118 L119 Q122 L123 L212 L216 V217	W114-I214 HydrophobicContact CH2-CD1 4.29Å; W114-I214 HydrophobicContact CZ3-CD1 3.95Å; R115-I214 HydrophobicContact CB-CD1 4.19Å; R115-I214 HydrophobicContact CG-CD1 3.89Å; Q118-I214 HydrophobicContact CB-CB 4.24Å; Q118-I214 HydrophobicContact CB-CD1 3.96Å; Q118-I214 HydrophobicContact CB-CG1 4.02Å; L119-I214 HydrophobicContact CD2-CG1 3.87Å; L119-I214 HydrophobicContact CD2-CG2 3.97Å; L119-I214 HydrophobicContact CG-CG1 3.79Å; Q122-I214 HydrophobicContact CB-CG2 3.89Å; Q122-I214 HydrophobicContact CG-CG2 4.47Å; L123-I214 HydrophobicContact CD1-CG2 4.19Å; L123-I214 HydrophobicContact CG-CG2 4.42Å; L212-I214 PolarHBondContact O-N 3.16Å; L212-I214 VanDerWaalsContact O-N 3.13Å; I214-L216 PolarHBondContact O-N 3.23Å; I214-V217 WeakPolarHBondContact O-CB 3.44Å; I214-V217 PolarHBondContact O-N 2.96Å
215	D	96.6	Very high	97.5	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	52.4	26.5	-175.2	-58.8	-7.4	0	0	0	114.4	W84 R115 L213 V217	W84-D215 HydrophobicContact CD2-CB 4.4Å; W84-D215 HydrophobicContact CZ2-CB 3.77Å; R115-D215 IonicContact CZ-OD1 3.49Å; R115-D215 IonicContact CZ-OD2 3.48Å; R115-D215 IonicContact NE-OD1 2.76Å; R115-D215 PolarHBondContact NE-OD1 3.4Å; R115-D215 IonicContact NE-OD2 3.88Å; R115-D215 VanDerWaalsContact NH2-CG 3.35Å; R115-D215 IonicContact NH2-OD1 3.74Å; R115-D215 PolarHBondContact NH2-OD1 2.85Å; R115-D215 IonicContact NH2-OD2 2.82Å; R115-D215 PolarHBondContact NH2-OD2 3.2Å; L213-D215 PolarHBondContact O-N 3.16Å; D215-V217 HydrophobicContact CB-CG2 4.27Å; D215-V217 PolarHBondContact O-N 3.34Å; D215-V217 VanDerWaalsContact O-N 3.15Å
216	L	97.6	Very high	97.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	60.5	15.5	-174	-53.3	170.1	0	0	0	113.5	W84 P86 Y95 G159 V161 V188 F204 L213 I214	W84-L216 HydrophobicContact CH2-CD1 4.1Å; W84-L216 HydrophobicContact CH2-CG 3.97Å; P86-L216 HydrophobicContact CB-CD1 4.04Å; P86-L216 HydrophobicContact CG-CD1 4.38Å; Y95-L216 HydrophobicContact CE2-CD2 4.44Å; Y95-L216 WeakPolarHBondContact OH-CD2 3.47Å; G159-L216 PolarHBondContact N-O 2.77Å; G159-L216 WeakPolarHBondContact O-CD1 3.37Å; V161-L216 HydrophobicContact CG2-CD1 3.39Å; V188-L216 HydrophobicContact CG1-CD2 4.14Å; V188-L216 HydrophobicContact CG2-CD2 4.26Å; F204-L216 HydrophobicContact CD1-CD2 3.87Å; F204-L216 HydrophobicContact CE1-CB 4.37Å; F204-L216 HydrophobicContact CE1-CD2 4.34Å; L213-L216 WeakPolarHBondContact O-CA 3.43Å; L213-L216 PolarHBondContact O-N 3.43Å; I214-L216 PolarHBondContact O-N 3.23Å
217	V	98.1	Very high	97.5	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128	177.3	179.1	0	0	0	0	109.5	L123 L156 I214 D215	L123-V217 HydrophobicContact CD1-CB 4.48Å; L123-V217 HydrophobicContact CD1-CG1 4.32Å; L123-V217 HydrophobicContact CD2-CG1 4.25Å; L156-V217 HydrophobicContact CD1-CG1 3.52Å; I214-V217 WeakPolarHBondContact O-CB 3.44Å; I214-V217 PolarHBondContact O-N 2.96Å; D215-V217 HydrophobicContact CB-CG2 4.27Å; D215-V217 PolarHBondContact O-N 3.34Å; D215-V217 VanDerWaalsContact O-N 3.15Å
218	Y	98.6	Very high	97.5	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.2	-177.9	74.5	-90.1	0	0	0	112	L156 G157 A190 A191 R192 V193 F204 H220 I225	L156-Y218 CarbonylContact C-O 3.54Å; L156-Y218 WeakPolarHBondContact CA-O 3.36Å; G157-Y218 PolarHBondContact N-O 3.33Å; G157-Y218 WeakPolarHBondContact O-CD1 3.24Å; G157-Y218 PolarHBondContact O-N 3.47Å; A190-Y218 WeakPolarHBondContact CA-OH 3.35Å; A190-Y218 HydrophobicContact CB-CD1 4.45Å; A190-Y218 HydrophobicContact CB-CE1 3.73Å; A190-Y218 HydrophobicContact CB-CE2 4.07Å; A191-Y218 PolarHBondContact N-OH 2.65Å; R192-Y218 HydrophobicContact CB-CE2 4.29Å; R192-Y218 WeakPolarHBondContact CB-OH 3.43Å; R192-Y218 PolarHBondContact N-OH 2.59Å; R192-Y218 VanDerWaalsContact N-OH 3.08Å; V193-Y218 HydrophobicContact CG2-CE2 4.14Å; F204-Y218 HydrophobicContact CE1-CD1 4.24Å; F204-Y218 AromaticContact CZ-CD1 3.62Å; F204-Y218 HydrophobicContact CZ-CD1 3.62Å; F204-Y218 HydrophobicContact CZ-CE1 4.27Å; F204-Y218 HydrophobicContact CZ-CG 4.03Å; Y218-H220 HydrophobicContact CD2-CB 4.35Å; Y218-H220 HydrophobicContact CE2-CB 4.02Å; Y218-I225 HydrophobicContact CD2-CB 4.32Å; Y218-I225 HydrophobicContact CD2-CG2 3.76Å; Y218-I225 HydrophobicContact CE2-CG2 4.25Å; Y218-I225 HydrophobicContact CG-CG2 4.4Å
219	F	98.6	Very high	97.5	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.1	168.2	-69.5	-104.4	0	0	0	109	L123 R151 S155 L156 Y226 G228 H231	L123-F219 HydrophobicContact CD2-CE2 4.04Å; R151-F219 HydrophobicContact CB-CD1 4.33Å; R151-F219 HydrophobicContact CB-CE1 3.97Å; S155-F219 WeakPolarHBondContact O-CA 3.39Å; L156-F219 HydrophobicContact CB-CD1 4.14Å; L156-F219 HydrophobicContact CB-CE1 3.85Å; L156-F219 HydrophobicContact CB-CZ 4.25Å; L156-F219 HydrophobicContact CD1-CD2 4.24Å; L156-F219 HydrophobicContact CD1-CE1 4.18Å; L156-F219 HydrophobicContact CD1-CE2 3.76Å; L156-F219 HydrophobicContact CD1-CZ 3.74Å; L156-F219 HydrophobicContact CG-CZ 4.44Å; F219-Y226 PolarHBondContact N-O 2.95Å; F219-Y226 PolarHBondContact O-N 3.27Å; F219-G228 VanDerWaalsContact CD2-CA 3.45Å; F219-H231 HydrophobicContact CB-CB 3.57Å; F219-H231 VanDerWaalsContact CB-CD2 3.45Å; F219-H231 WeakPolarHBondContact CB-CD2 3.45Å; F219-H231 AromaticContact CD1-ND1 3.91Å; F219-H231 HydrophobicContact CG-CB 4Å; F219-H231 AromaticContact CG-CG 3.92Å
220	H	98	Very high	97.6	Very high	45 Å²	45	33.8 Å²	33.8	21%	0.208	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.9	177.3	154.7	-95.8	0	0	0	111.3	S155 R192 V193 Y218 G223 E224	S155-H220 WeakPolarHBondContact CB-O 3.42Å; S155-H220 PolarHBondContact O-N 2.79Å; S155-H220 PolarHBondContact OG-O 2.94Å; S155-H220 VanDerWaalsContact OG-O 3.05Å; R192-H220 HydrophobicContact CB-CB 4.47Å; V193-H220 HydrophobicContact CG2-CB 4.19Å; Y218-H220 HydrophobicContact CD2-CB 4.35Å; Y218-H220 HydrophobicContact CE2-CB 4.02Å; H220-G223 PolarHBondContact NE2-N 3.21Å; H220-E224 WeakPolarHBondContact CA-O 3.46Å
221	K	96.8	Very high	97.6	Very high	54 Å²	54	27.7 Å²	27.7	24%	0.235	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	132	167.5	-172.8	178.5	174.6	-163.8	0	109.6	G223 E224 Y226 L234 L235	K221-G223 VanDerWaalsContact C-N 3.28Å; K221-G223 PolarHBondContact O-N 2.71Å; K221-E224 PolarHBondContact N-O 2.71Å; K221-E224 PolarHBondContact O-N 2.81Å; K221-Y226 HydrophobicContact CB-CD2 4.37Å; K221-Y226 HydrophobicContact CB-CE2 4.08Å; K221-L234 HydrophobicContact CD-CB 4.49Å; K221-L234 HydrophobicContact CD-CD1 4.05Å; K221-L234 PolarHBondContact NZ-O 3.03Å; K221-L235 HydrophobicContact CD-CD2 4.5Å
222	D	94.2	Very high	97.6	Very high	137 Å²	137	25 Å²	25	73%	0.733	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.7	174.6	-55	-39.4	0	0	0	114.4	E224	D222-E224 VanDerWaalsContact C-N 3.26Å; D222-E224 PolarHBondContact O-N 2.77Å
223	G	92.1	Very high	97.6	Very high	24 Å²	24	27.5 Å²	27.5	25%	0.247	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	0	178.7	0	0	0	0	0	115.3	H220 K221	H220-G223 PolarHBondContact NE2-N 3.21Å; K221-G223 VanDerWaalsContact C-N 3.28Å; K221-G223 PolarHBondContact O-N 2.71Å
224	E	96.1	Very high	97.6	Very high	62 Å²	62	30.7 Å²	30.7	29%	0.29	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.2	178.3	-64.2	-58.7	140.8	0	0	111.7	H207 H220 K221 D222 Y226	H207-E224 HydrophobicContact CB-CB 4.38Å; H207-E224 IonicContact CE1-OE2 3.73Å; H207-E224 PolarHBondContact CE1-OE2 3.13Å; H207-E224 IonicContact CG-OE2 2.77Å; H207-E224 IonicContact ND1-OE2 2.81Å; H207-E224 PolarHBondContact ND1-OE2 2.91Å; H220-E224 WeakPolarHBondContact CA-O 3.46Å; K221-E224 PolarHBondContact N-O 2.71Å; K221-E224 PolarHBondContact O-N 2.81Å; D222-E224 VanDerWaalsContact C-N 3.26Å; D222-E224 PolarHBondContact O-N 2.77Å; E224-Y226 HydrophobicContact CB-CE2 3.59Å
225	I	98.4	Very high	97.5	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135	178.6	59.7	178.3	0	0	0	111.5	V193 W199 F204 H207 L213 Y218	V193-I225 HydrophobicContact CG2-CG2 3.51Å; W199-I225 HydrophobicContact CD2-CD1 4.43Å; W199-I225 HydrophobicContact CZ2-CD1 3.93Å; W199-I225 HydrophobicContact CZ2-CG2 4.43Å; F204-I225 HydrophobicContact CD2-CD1 3.75Å; F204-I225 HydrophobicContact CE2-CD1 3.55Å; F204-I225 HydrophobicContact CG-CD1 4.45Å; F204-I225 HydrophobicContact CZ-CD1 4.1Å; H207-I225 WeakPolarHBondContact CB-O 3.38Å; H207-I225 PolarHBondContact N-O 3.23Å; L213-I225 HydrophobicContact CD1-CB 4.23Å; L213-I225 HydrophobicContact CD1-CD1 3.59Å; L213-I225 HydrophobicContact CD1-CG1 3.95Å; Y218-I225 HydrophobicContact CD2-CB 4.32Å; Y218-I225 HydrophobicContact CD2-CG2 3.76Å; Y218-I225 HydrophobicContact CE2-CG2 4.25Å; Y218-I225 HydrophobicContact CG-CG2 4.4Å
226	Y	98.8	Very high	97.6	Very high	24 Å²	24	35.7 Å²	35.7	9%	0.094	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.5	-174.8	-58.9	-91.6	0	0	0	110.6	H207 F219 K221 E224 H230 L234	H207-Y226 HydrophobicContact CB-CD1 3.99Å; H207-Y226 HydrophobicContact CB-CE1 3.68Å; F219-Y226 PolarHBondContact N-O 2.95Å; F219-Y226 PolarHBondContact O-N 3.27Å; K221-Y226 HydrophobicContact CB-CD2 4.37Å; K221-Y226 HydrophobicContact CB-CE2 4.08Å; E224-Y226 HydrophobicContact CB-CE2 3.59Å; Y226-H230 HydrophobicContact CD1-CB 4.41Å; Y226-L234 HydrophobicContact CD1-CD1 3.94Å; Y226-L234 HydrophobicContact CD2-CD1 4.13Å; Y226-L234 HydrophobicContact CE1-CD1 3.66Å; Y226-L234 HydrophobicContact CE2-CD1 3.87Å; Y226-L234 HydrophobicContact CG-CD1 4.18Å
227	C	98.8	Very high	97.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.185	C	C	.	.			trans	-70.2	165.4	163	71.9	0	0	0	0	109.9	Q122 C206 L213 R229 H230 H231	Q122-C227 HydrophobicContact CB-CB 3.78Å; Q122-C227 HydrophobicContact CG-CB 3.72Å; C206-C227 HydrophobicContact CB-CB 4.06Å; C206-C227 PolarHBondContact SG-N 3.13Å; L213-C227 HydrophobicContact CD2-CB 3.93Å; C227-R229 VanDerWaalsContact C-N 3.31Å; C227-R229 PolarHBondContact O-N 3.27Å; C227-H230 PolarHBondContact O-N 2.87Å; C227-H230 PolarHBondContact SG-N 2.97Å; C227-H230 PolarHBondContact SG-ND1 3.12Å; C227-H231 WeakPolarHBondContact O-CB 3.17Å; C227-H231 PolarHBondContact O-N 3.19Å
228	G	98.5	Very high	97.6	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-42.7	-179.9	0	0	0	0	0	113.1	Q122 R151 F219 A232	Q122-G228 CarbonylContact O-C 3.59Å; Q122-G228 WeakPolarHBondContact O-CA 3.5Å; Q122-G228 PolarHBondContact O-N 3.41Å; R151-G228 PolarHBondContact NH2-O 3.27Å; F219-G228 VanDerWaalsContact CD2-CA 3.45Å; G228-A232 WeakPolarHBondContact O-CB 3.48Å; G228-A232 PolarHBondContact O-N 2.88Å
229	R	98.7	Very high	97.5	Very high	34 Å²	34	36 Å²	36	13%	0.128	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-59.7	177.6	179.1	-173.3	-133.6	121.9	-10.4	112.6	L121 Q122 P124 C227 H231 A232 E233 D243	L121-R229 WeakPolarHBondContact O-CB 3.14Å; L121-R229 WeakPolarHBondContact O-CD 3.4Å; L121-R229 PolarHBondContact O-NH1 3.49Å; Q122-R229 PolarHBondContact O-N 2.85Å; P124-R229 HydrophobicContact CG-CB 4.27Å; C227-R229 VanDerWaalsContact C-N 3.31Å; C227-R229 PolarHBondContact O-N 3.27Å; R229-H231 VanDerWaalsContact C-N 3.3Å; R229-H231 PolarHBondContact O-N 3.08Å; R229-A232 WeakPolarHBondContact O-CA 3.16Å; R229-A232 WeakPolarHBondContact O-CB 3.49Å; R229-A232 PolarHBondContact O-N 3.19Å; R229-E233 WeakPolarHBondContact CG-OE1 3.29Å; R229-E233 IonicContact NE-OE1 2.83Å; R229-E233 PolarHBondContact O-N 3.27Å; R229-D243 IonicContact CZ-OD1 2.7Å; R229-D243 IonicContact CZ-OD2 3.76Å; R229-D243 IonicContact NH2-OD1 3.21Å; R229-D243 PolarHBondContact NH2-OD1 2.85Å; R229-D243 IonicContact NH2-OD2 2.82Å; R229-D243 PolarHBondContact NH2-OD2 3.31Å
230	H	98.8	Very high	97.3	Very high	32 Å²	32	38 Å²	38	15%	0.148	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-32.9	-175.7	-66.9	121	0	0	0	112.1	C206 T208 C209 Y226 C227 A232 E233 L234	C206-H230 PolarHBondContact SG-ND1 3.17Å; C206-H230 VanDerWaalsContact SG-ND1 3.36Å; T208-H230 HydrophobicContact CG2-CB 4.41Å; C209-H230 WeakPolarHBondContact CB-CE1 3.19Å; C209-H230 PolarHBondContact SG-CE1 2.83Å; Y226-H230 HydrophobicContact CD1-CB 4.41Å; C227-H230 PolarHBondContact O-N 2.87Å; C227-H230 PolarHBondContact SG-N 2.97Å; C227-H230 PolarHBondContact SG-ND1 3.12Å; H230-A232 VanDerWaalsContact C-N 3.26Å; H230-A232 PolarHBondContact O-N 3.44Å; H230-E233 IonicContact CD2-OE2 2.97Å; H230-E233 PolarHBondContact CD2-OE2 2.76Å; H230-E233 IonicContact NE2-OE2 3.33Å; H230-E233 PolarHBondContact O-N 2.73Å; H230-L234 WeakPolarHBondContact O-CG 3.28Å; H230-L234 PolarHBondContact O-N 2.92Å; H230-L234 VanDerWaalsContact O-N 3.12Å
231	H	98.7	Very high	97.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-37.3	171.1	-177.1	-83.8	0	0	0	112.1	R151 S155 F219 C227 R229 L234	R151-H231 PolarHBondContact NE-ND1 3.41Å; R151-H231 VanDerWaalsContact NE-ND1 3.12Å; S155-H231 WeakPolarHBondContact CB-NE2 3.4Å; S155-H231 PolarHBondContact OG-NE2 3Å; F219-H231 HydrophobicContact CB-CB 3.57Å; F219-H231 VanDerWaalsContact CB-CD2 3.45Å; F219-H231 WeakPolarHBondContact CB-CD2 3.45Å; F219-H231 AromaticContact CD1-ND1 3.91Å; F219-H231 HydrophobicContact CG-CB 4Å; F219-H231 AromaticContact CG-CG 3.92Å; C227-H231 WeakPolarHBondContact O-CB 3.17Å; C227-H231 PolarHBondContact O-N 3.19Å; R229-H231 VanDerWaalsContact C-N 3.3Å; R229-H231 PolarHBondContact O-N 3.08Å; H231-L234 PolarHBondContact O-N 2.9Å
232	A	98.6	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-44	176.5	0	0	0	0	0	111.5	F147 G228 R229 H230 L234 L235 K236 I245	F147-A232 HydrophobicContact CE1-CB 4.18Å; F147-A232 HydrophobicContact CZ-CB 4.17Å; G228-A232 WeakPolarHBondContact O-CB 3.48Å; G228-A232 PolarHBondContact O-N 2.88Å; R229-A232 WeakPolarHBondContact O-CA 3.16Å; R229-A232 WeakPolarHBondContact O-CB 3.49Å; R229-A232 PolarHBondContact O-N 3.19Å; H230-A232 VanDerWaalsContact C-N 3.26Å; H230-A232 PolarHBondContact O-N 3.44Å; A232-L234 PolarHBondContact O-N 3.39Å; A232-L235 PolarHBondContact O-N 3.13Å; A232-K236 PolarHBondContact O-N 2.92Å; A232-I245 HydrophobicContact CB-CD1 3.57Å; A232-I245 HydrophobicContact CB-CG1 4.49Å
233	E	97.9	Very high	97.2	Very high	69 Å²	69	32.9 Å²	32.9	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-23.5	-179.3	-71.3	163.9	-173	0	0	113	R229 H230 L235 K236 R238	R229-E233 WeakPolarHBondContact CG-OE1 3.29Å; R229-E233 IonicContact NE-OE1 2.83Å; R229-E233 PolarHBondContact O-N 3.27Å; H230-E233 IonicContact CD2-OE2 2.97Å; H230-E233 PolarHBondContact CD2-OE2 2.76Å; H230-E233 IonicContact NE2-OE2 3.33Å; H230-E233 PolarHBondContact O-N 2.73Å; E233-L235 PolarHBondContact O-N 2.88Å; E233-K236 WeakPolarHBondContact CA-O 3.38Å; E233-R238 HydrophobicContact CG-CB 4.08Å; E233-R238 WeakPolarHBondContact OE1-CD 3.15Å; E233-R238 IonicContact OE1-CZ 3.05Å; E233-R238 IonicContact OE1-NE 3.76Å; E233-R238 PolarHBondContact OE1-NE 3.36Å; E233-R238 IonicContact OE1-NH2 3.64Å
234	L	97.4	Very high	97.5	Very high	73 Å²	73	32.3 Å²	32.3	38%	0.382	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.8	169	-69.5	175.3	0	0	0	114.1	K221 Y226 H230 H231 A232	K221-L234 HydrophobicContact CD-CB 4.49Å; K221-L234 HydrophobicContact CD-CD1 4.05Å; K221-L234 PolarHBondContact NZ-O 3.03Å; Y226-L234 HydrophobicContact CD1-CD1 3.94Å; Y226-L234 HydrophobicContact CD2-CD1 4.13Å; Y226-L234 HydrophobicContact CE1-CD1 3.66Å; Y226-L234 HydrophobicContact CE2-CD1 3.87Å; Y226-L234 HydrophobicContact CG-CD1 4.18Å; H230-L234 WeakPolarHBondContact O-CG 3.28Å; H230-L234 PolarHBondContact O-N 2.92Å; H230-L234 VanDerWaalsContact O-N 3.12Å; H231-L234 PolarHBondContact O-N 2.9Å; A232-L234 PolarHBondContact O-N 3.39Å
235	L	97.1	Very high	97.6	Very high	80 Å²	80	29.7 Å²	29.7	42%	0.419	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-32.8	-171.9	-59	178.2	0	0	0	113	F147 R151 K221 A232 E233	F147-L235 HydrophobicContact CE2-CB 3.71Å; F147-L235 HydrophobicContact CE2-CD1 3.91Å; F147-L235 HydrophobicContact CE2-CG 4.48Å; F147-L235 HydrophobicContact CZ-CB 4.09Å; F147-L235 HydrophobicContact CZ-CD1 4.26Å; R151-L235 HydrophobicContact CG-CD1 4.02Å; K221-L235 HydrophobicContact CD-CD2 4.5Å; A232-L235 PolarHBondContact O-N 3.13Å; E233-L235 PolarHBondContact O-N 2.88Å
236	K	97.3	Very high	97.6	Very high	54 Å²	54	29.4 Å²	29.4	24%	0.235	16%	0.162	C	C	.	.	S	Bend	trans	-142.8	143.8	-179.6	-74.1	-79.1	-167.9	170.1	0	109.5	F147 A232 E233 I245	F147-K236 HydrophobicContact CD2-CG 4.22Å; F147-K236 HydrophobicContact CE2-CB 4.43Å; F147-K236 HydrophobicContact CE2-CG 3.74Å; F147-K236 HydrophobicContact CZ-CB 4.38Å; F147-K236 HydrophobicContact CZ-CG 4.14Å; A232-K236 PolarHBondContact O-N 2.92Å; E233-K236 WeakPolarHBondContact CA-O 3.38Å; K236-I245 HydrophobicContact CB-CG2 3.33Å; K236-I245 HydrophobicContact CG-CG2 4.01Å
237	P	97.5	Very high	97.5	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.123	16%	0.159	C	C	.	.			trans	-62.4	148.6	174.4	32.3	-43	0	0	0	111.9	F38 I245 I246 S258	F38-P237 HydrophobicContact CE1-CG 4.03Å; F38-P237 HydrophobicContact CE2-CG 3.78Å; F38-P237 HydrophobicContact CZ-CB 4.09Å; F38-P237 HydrophobicContact CZ-CG 3.39Å; P237-I245 WeakPolarHBondContact O-CA 3.3Å; P237-I246 HydrophobicContact CB-CD1 4.3Å; P237-I246 HydrophobicContact CG-CB 3.89Å; P237-I246 HydrophobicContact CG-CD1 4.3Å; P237-I246 HydrophobicContact CG-CG1 4.35Å; P237-I246 PolarHBondContact O-N 3.31Å; P237-S258 WeakPolarHBondContact CB-OG 3.37Å
238	R	97.9	Very high	97.3	Very high	25 Å²	25	29.7 Å²	29.7	9%	0.094	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-109.2	135	169.2	-174.2	178.1	-58.7	-81.2	-7.2	110.1	D127 E233 A240 D243	D127-R238 VanDerWaalsContact CG-NH2 3.34Å; D127-R238 IonicContact OD1-CZ 3.52Å; D127-R238 IonicContact OD1-NH1 3.6Å; D127-R238 PolarHBondContact OD1-NH1 3.45Å; D127-R238 IonicContact OD1-NH2 2.65Å; D127-R238 PolarHBondContact OD1-NH2 3.38Å; D127-R238 IonicContact OD2-CZ 2.64Å; D127-R238 IonicContact OD2-NH1 2.59Å; D127-R238 IonicContact OD2-NH2 3.65Å; D127-R238 PolarHBondContact OD2-NH2 2.8Å; E233-R238 HydrophobicContact CG-CB 4.08Å; E233-R238 WeakPolarHBondContact OE1-CD 3.15Å; E233-R238 IonicContact OE1-CZ 3.05Å; E233-R238 IonicContact OE1-NE 3.76Å; E233-R238 PolarHBondContact OE1-NE 3.36Å; E233-R238 IonicContact OE1-NH2 3.64Å; R238-A240 PolarHBondContact O-N 2.78Å; R238-D243 WeakPolarHBondContact CD-OD1 3.39Å; R238-D243 PolarHBondContact NH1-O 2.68Å
239	C	97.2	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-73.3	121.9	177.3	178.9	0	0	0	0	111.3	A241 C242 D243 E244 I246 S258 H260 H263	C239-A241 PolarHBondContact O-N 3.36Å; C239-C242 VanDerWaalsContact CB-SG 3.6Å; C239-D243 WeakPolarHBondContact O-CA 3.43Å; C239-D243 PolarHBondContact O-N 3.34Å; C239-E244 PolarHBondContact N-O 3.2Å; C239-I246 HydrophobicContact CB-CD1 4Å; C239-I246 HydrophobicContact CB-CG1 3.9Å; C239-S258 CarbonylContact C-O 3.37Å; C239-S258 VanDerWaalsContact CA-O 3.28Å; C239-S258 WeakPolarHBondContact CA-O 3.48Å; C239-H260 VanDerWaalsContact CB-ND1 3.26Å; C239-H260 WeakPolarHBondContact CB-ND1 3.13Å; C239-H260 PolarHBondContact SG-N 2.75Å; C239-H260 VanDerWaalsContact SG-N 3.45Å; C239-H260 PolarHBondContact SG-ND1 3.3Å; C239-H263 PolarHBondContact SG-ND1 3.48Å
240	A	95.3	Very high	96.7	Very high	52 Å²	52	34.7 Å²	34.7	43%	0.43	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.7	179.9	0	0	0	0	0	114.7	R238 H257 S258 W259	R238-A240 PolarHBondContact O-N 2.78Å; A240-H257 HydrophobicContact CB-CB 3.86Å; A240-S258 PolarHBondContact N-O 3.13Å; A240-W259 HydrophobicContact CB-CD2 4.21Å; A240-W259 HydrophobicContact CB-CE3 4.05Å; A240-W259 HydrophobicContact CB-CH2 3.66Å; A240-W259 HydrophobicContact CB-CZ2 3.83Å; A240-W259 HydrophobicContact CB-CZ3 3.78Å
241	A	94	Very high	96.6	Very high	59 Å²	59	33.1 Å²	33.1	49%	0.488	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-44.5	179.1	0	0	0	0	0	113.9	C239 W259 H263	C239-A241 PolarHBondContact O-N 3.36Å; A241-W259 HydrophobicContact CB-CE3 3.97Å; A241-W259 HydrophobicContact CB-CZ3 3.94Å; A241-H263 HydrophobicContact CB-CB 3.74Å
242	C	95.7	Very high	96.4	Very high	12 Å²	12	33 Å²	33	8%	0.081	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-5.8	-173.4	69.5	0	0	0	0	114.1	C239 E244 H260 H263	C239-C242 VanDerWaalsContact CB-SG 3.6Å; C242-E244 HydrophobicContact CB-CG 4.49Å; C242-E244 PolarHBondContact O-N 3.47Å; C242-H260 PolarHBondContact SG-ND1 3.19Å; C242-H260 VanDerWaalsContact SG-ND1 3.44Å; C242-H263 WeakPolarHBondContact CB-CE1 3.2Å; C242-H263 PolarHBondContact SG-CE1 2.85Å; C242-H263 PolarHBondContact SG-ND1 2.67Å; C242-H263 VanDerWaalsContact SG-ND1 3.41Å
243	D	96.9	Very high	96.2	Very high	58 Å²	58	37.2 Å²	37.2	31%	0.31	21%	0.207	S	C	.	.			trans	62.5	24.4	179.4	-159.8	42.6	0	0	0	114.5	Q126 R229 R238 C239	Q126-D243 PolarHBondContact NE2-O 3.12Å; R229-D243 IonicContact CZ-OD1 2.7Å; R229-D243 IonicContact CZ-OD2 3.76Å; R229-D243 IonicContact NH2-OD1 3.21Å; R229-D243 PolarHBondContact NH2-OD1 2.85Å; R229-D243 IonicContact NH2-OD2 2.82Å; R229-D243 PolarHBondContact NH2-OD2 3.31Å; R238-D243 WeakPolarHBondContact CD-OD1 3.39Å; R238-D243 PolarHBondContact NH1-O 2.68Å; C239-D243 WeakPolarHBondContact O-CA 3.43Å; C239-D243 PolarHBondContact O-N 3.34Å
244	E	98	Very high	95.9	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.061	20%	0.195	C	C	.	.			trans	-106.1	149.5	176.6	-58.7	-176.3	-158.8	0	0	111	Q126 C133 R134 C239 C242	Q126-E244 HydrophobicContact CG-CG 4.21Å; C133-E244 WeakPolarHBondContact CB-OE2 3.08Å; R134-E244 VanDerWaalsContact CG-OE1 3.31Å; R134-E244 WeakPolarHBondContact CG-OE1 3.35Å; R134-E244 PolarHBondContact N-OE1 3.06Å; R134-E244 PolarHBondContact N-OE2 2.98Å; C239-E244 PolarHBondContact N-O 3.2Å; C242-E244 HydrophobicContact CB-CG 4.49Å; C242-E244 PolarHBondContact O-N 3.47Å
245	I	98.1	Very high	95.6	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-69.1	132.6	172.4	-62.3	174.3	0	0	0	109.3	D127 F147 A232 K236 P237 F247	D127-I245 HydrophobicContact CB-CD1 4.07Å; F147-I245 HydrophobicContact CE1-CD1 3.69Å; F147-I245 HydrophobicContact CZ-CD1 4.33Å; A232-I245 HydrophobicContact CB-CD1 3.57Å; A232-I245 HydrophobicContact CB-CG1 4.49Å; K236-I245 HydrophobicContact CB-CG2 3.33Å; K236-I245 HydrophobicContact CG-CG2 4.01Å; P237-I245 WeakPolarHBondContact O-CA 3.3Å; I245-F247 HydrophobicContact CB-CD2 4.41Å; I245-F247 HydrophobicContact CB-CE2 3.78Å; I245-F247 HydrophobicContact CB-CZ 4.26Å; I245-F247 HydrophobicContact CG2-CD2 4.2Å; I245-F247 HydrophobicContact CG2-CE1 4.43Å; I245-F247 HydrophobicContact CG2-CE2 3.69Å; I245-F247 HydrophobicContact CG2-CZ 3.81Å; I245-F247 WeakPolarHBondContact O-CD2 3.18Å; I245-F247 PolarHBondContact O-N 3.05Å
246	I	97.7	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.217	C	C	.	.			trans	-85.3	109	-179.7	-46.9	172.1	0	0	0	108.7	P237 C239 A248 C251 W259	P237-I246 HydrophobicContact CB-CD1 4.3Å; P237-I246 HydrophobicContact CG-CB 3.89Å; P237-I246 HydrophobicContact CG-CD1 4.3Å; P237-I246 HydrophobicContact CG-CG1 4.35Å; P237-I246 PolarHBondContact O-N 3.31Å; C239-I246 HydrophobicContact CB-CD1 4Å; C239-I246 HydrophobicContact CB-CG1 3.9Å; I246-A248 HydrophobicContact CG2-CB 4.06Å; I246-C251 HydrophobicContact CD1-CB 3.7Å; I246-C251 HydrophobicContact CG2-CB 4.07Å; I246-W259 VanDerWaalsContact CD1-C 3.45Å
247	F	97.1	Very high	95.3	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	23%	0.229	C	C	.	.			trans	-90.5	-16.9	175.9	-74.5	-80.8	0	0	0	113.7	E140 D143 L144 F147 I245	E140-F247 HydrophobicContact CB-CB 4.03Å; E140-F247 HydrophobicContact CG-CB 4.06Å; D143-F247 HydrophobicContact CB-CD1 3.77Å; D143-F247 HydrophobicContact CB-CE1 4.45Å; D143-F247 HydrophobicContact CB-CG 4.41Å; L144-F247 HydrophobicContact CB-CD2 4.2Å; L144-F247 HydrophobicContact CB-CE1 4.3Å; L144-F247 HydrophobicContact CB-CE2 3.75Å; L144-F247 HydrophobicContact CB-CZ 3.81Å; L144-F247 HydrophobicContact CD1-CE2 3.66Å; L144-F247 HydrophobicContact CD1-CZ 3.6Å; L144-F247 HydrophobicContact CG-CE2 4.15Å; L144-F247 HydrophobicContact CG-CZ 4.28Å; F147-F247 HydrophobicContact CB-CE1 3.76Å; F147-F247 HydrophobicContact CB-CZ 4.1Å; F147-F247 HydrophobicContact CD1-CE1 4.24Å; F147-F247 AromaticContact CD1-CZ 3.87Å; F147-F247 HydrophobicContact CD1-CZ 3.87Å; F147-F247 HydrophobicContact CE1-CZ 4.49Å; F147-F247 AromaticContact CG-CE1 3.95Å; F147-F247 HydrophobicContact CG-CE1 3.95Å; F147-F247 HydrophobicContact CG-CZ 4.07Å; I245-F247 HydrophobicContact CB-CD2 4.41Å; I245-F247 HydrophobicContact CB-CE2 3.78Å; I245-F247 HydrophobicContact CB-CZ 4.26Å; I245-F247 HydrophobicContact CG2-CD2 4.2Å; I245-F247 HydrophobicContact CG2-CE1 4.43Å; I245-F247 HydrophobicContact CG2-CE2 3.69Å; I245-F247 HydrophobicContact CG2-CZ 3.81Å; I245-F247 WeakPolarHBondContact O-CD2 3.18Å; I245-F247 PolarHBondContact O-N 3.05Å
248	A	94.8	Very high	95.2	Very high	26 Å²	26	37.6 Å²	37.6	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-55.2	150.9	173.6	0	0	0	0	0	112.1	I246 E250	I246-A248 HydrophobicContact CG2-CB 4.06Å; A248-E250 PolarHBondContact O-N 3.35Å
249	D	92.8	Very high	95.2	Very high	91 Å²	91	38.3 Å²	38.3	49%	0.487	23%	0.234	S	C	.	.	S	Bend	trans	-70	-16.1	179.8	-57.6	-36.7	0	0	0	112.1	R37 F38 K139	R37-D249 CarbonylContact C-O 3.51Å; R37-D249 WeakPolarHBondContact CA-O 3.23Å; F38-D249 PolarHBondContact N-O 2.97Å; K139-D249 VanDerWaalsContact NZ-CG 3.35Å; K139-D249 IonicContact NZ-OD1 2.71Å; K139-D249 PolarHBondContact NZ-OD1 3.41Å; K139-D249 IonicContact NZ-OD2 2.67Å; K139-D249 PolarHBondContact NZ-OD2 3.47Å
250	E	92.5	Very high	95.1	Very high	52 Å²	52	39.8 Å²	39.8	24%	0.243	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139	179.4	-70.1	-179.2	-173.6	0	0	111.6	S36 R37 A248	S36-E250 WeakPolarHBondContact O-CA 3.4Å; R37-E250 HydrophobicContact CG-CG 3.55Å; R37-E250 IonicContact CZ-OE1 3.54Å; R37-E250 IonicContact NE-OE1 2.75Å; R37-E250 PolarHBondContact NE-OE1 3.32Å; R37-E250 IonicContact NH2-OE1 3.3Å; R37-E250 PolarHBondContact NH2-OE1 2.93Å; A248-E250 PolarHBondContact O-N 3.35Å
251	C	95.3	Very high	94.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	168.4	166	80.6	0	0	0	0	111.5	S36 F38 I246 W259	S36-C251 PolarHBondContact N-O 2.71Å; S36-C251 PolarHBondContact O-N 2.93Å; S36-C251 VanDerWaalsContact O-N 3.08Å; F38-C251 HydrophobicContact CE2-CB 3.86Å; F38-C251 WeakPolarHBondContact CE2-SG 3.42Å; F38-C251 HydrophobicContact CZ-CB 4.37Å; F38-C251 WeakPolarHBondContact CZ-SG 3.4Å; I246-C251 HydrophobicContact CD1-CB 3.7Å; I246-C251 HydrophobicContact CG2-CB 4.07Å; C251-W259 WeakPolarHBondContact CB-O 3.45Å
252	I	95	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.2	171	-69.7	164.1	0	0	0	108.9	P33 H34 A254 S258 W259 L261 F264	P33-I252 HydrophobicContact CB-CG2 3.67Å; P33-I252 HydrophobicContact CG-CG2 4.23Å; H34-I252 WeakPolarHBondContact O-CA 3.3Å; I252-A254 HydrophobicContact CG2-CB 4.24Å; I252-S258 CarbonylContact O-C 3.51Å; I252-S258 WeakPolarHBondContact O-CA 3.16Å; I252-W259 HydrophobicContact CB-CB 4.26Å; I252-W259 PolarHBondContact N-O 2.92Å; I252-W259 PolarHBondContact O-N 2.84Å; I252-L261 HydrophobicContact CD1-CD2 4Å; I252-L261 HydrophobicContact CG1-CD2 3.73Å; I252-F264 HydrophobicContact CB-CB 4.2Å; I252-F264 HydrophobicContact CD1-CB 3.73Å; I252-F264 HydrophobicContact CD1-CD1 4.33Å; I252-F264 HydrophobicContact CD1-CG 4.46Å; I252-F264 HydrophobicContact CG2-CB 4.04Å; I252-F264 HydrophobicContact CG2-CD1 3.69Å; I252-F264 HydrophobicContact CG2-CE1 4.35Å; I252-F264 HydrophobicContact CG2-CG 3.87Å
253	E	94.7	Very high	94.8	Very high	87 Å²	87	44 Å²	44	41%	0.407	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.4	167.7	-72.7	177.1	-148.1	0	0	109.6	H34 S36 H257	H34-E253 PolarHBondContact N-O 2.92Å; H34-E253 PolarHBondContact O-N 3.11Å; S36-E253 VanDerWaalsContact CB-OE1 3.23Å; S36-E253 WeakPolarHBondContact CB-OE1 3.34Å; S36-E253 PolarHBondContact OG-OE1 3.05Å; E253-H257 WeakPolarHBondContact CA-O 3.15Å
254	A	92.4	Very high	94.7	Very high	8 Å²	8	41.3 Å²	41.3	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	142.8	-176.8	0	0	0	0	0	109.9	P33 I252 G256 H257 W259 F264	P33-A254 HydrophobicContact CB-CB 3.76Å; I252-A254 HydrophobicContact CG2-CB 4.24Å; A254-G256 PolarHBondContact O-N 3.11Å; A254-G256 VanDerWaalsContact O-N 3.16Å; A254-H257 PolarHBondContact N-O 3.35Å; A254-H257 PolarHBondContact O-N 3.45Å; A254-H257 VanDerWaalsContact O-O 3.08Å; A254-W259 PolarHBondContact O-NE1 3.4Å; A254-W259 VanDerWaalsContact O-NE1 3.15Å; A254-F264 HydrophobicContact CB-CD1 4.45Å; A254-F264 HydrophobicContact CB-CD2 4.25Å; A254-F264 HydrophobicContact CB-CE1 3.83Å; A254-F264 HydrophobicContact CB-CE2 3.58Å; A254-F264 HydrophobicContact CB-CZ 3.34Å
255	E	91	Very high	94.6	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	30	179.6	-52.9	-55.7	131.3	0	0	113.9	M31 H257 Y278 M280	M31-E255 VanDerWaalsContact SD-OE1 3.36Å; E255-H257 PolarHBondContact O-CE1 3.48Å; E255-H257 PolarHBondContact O-N 3.28Å; E255-H257 PolarHBondContact O-ND1 3.07Å; E255-Y278 PolarHBondContact OE1-OH 3.47Å; E255-M280 HydrophobicContact CG-CE 4.23Å; E255-M280 HydrophobicContact CG-CG 3.91Å; E255-M280 HydrophobicContact CG-SD 4.2Å
256	G	91.7	Very high	94.4	Very high	87 Å²	87	41.9 Å²	41.9	90%	0.897	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	10.4	-175.5	0	0	0	0	0	115	A254	A254-G256 PolarHBondContact O-N 3.11Å; A254-G256 VanDerWaalsContact O-N 3.16Å
257	H	95.2	Very high	94.2	Very high	104 Å²	104	43.6 Å²	43.6	48%	0.481	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.4	-179.1	-61	84.6	0	0	0	111.6	A240 E253 A254 E255 W259	A240-H257 HydrophobicContact CB-CB 3.86Å; E253-H257 WeakPolarHBondContact CA-O 3.15Å; A254-H257 PolarHBondContact N-O 3.35Å; A254-H257 PolarHBondContact O-N 3.45Å; A254-H257 VanDerWaalsContact O-O 3.08Å; E255-H257 PolarHBondContact O-CE1 3.48Å; E255-H257 PolarHBondContact O-N 3.28Å; E255-H257 PolarHBondContact O-ND1 3.07Å; H257-W259 HydrophobicContact CB-CZ2 3.92Å; H257-W259 PolarHBondContact O-NE1 2.99Å
258	S	96.8	Very high	94	Very high	26 Å²	26	47.1 Å²	47.1	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	148.8	172.6	-53.4	0	0	0	0	111.3	P237 C239 A240 I252	P237-S258 WeakPolarHBondContact CB-OG 3.37Å; C239-S258 CarbonylContact C-O 3.37Å; C239-S258 VanDerWaalsContact CA-O 3.28Å; C239-S258 WeakPolarHBondContact CA-O 3.48Å; A240-S258 PolarHBondContact N-O 3.13Å; I252-S258 CarbonylContact O-C 3.51Å; I252-S258 WeakPolarHBondContact O-CA 3.16Å
259	W	96.1	Very high	94	Very high	40 Å²	40	48.3 Å²	48.3	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.9	-174.9	-47.7	82.3	0	0	0	110.9	A240 A241 I246 C251 I252 A254 H257 F264	A240-W259 HydrophobicContact CB-CD2 4.21Å; A240-W259 HydrophobicContact CB-CE3 4.05Å; A240-W259 HydrophobicContact CB-CH2 3.66Å; A240-W259 HydrophobicContact CB-CZ2 3.83Å; A240-W259 HydrophobicContact CB-CZ3 3.78Å; A241-W259 HydrophobicContact CB-CE3 3.97Å; A241-W259 HydrophobicContact CB-CZ3 3.94Å; I246-W259 VanDerWaalsContact CD1-C 3.45Å; C251-W259 WeakPolarHBondContact CB-O 3.45Å; I252-W259 HydrophobicContact CB-CB 4.26Å; I252-W259 PolarHBondContact N-O 2.92Å; I252-W259 PolarHBondContact O-N 2.84Å; A254-W259 PolarHBondContact O-NE1 3.4Å; A254-W259 VanDerWaalsContact O-NE1 3.15Å; H257-W259 HydrophobicContact CB-CZ2 3.92Å; H257-W259 PolarHBondContact O-NE1 2.99Å; W259-F264 HydrophobicContact CB-CB 3.75Å; W259-F264 HydrophobicContact CB-CD2 4.37Å; W259-F264 HydrophobicContact CB-CG 4.41Å; W259-F264 AromaticContact CD1-CD2 3.79Å; W259-F264 HydrophobicContact CD2-CB 4.49Å; W259-F264 AromaticContact CD2-CD2 3.59Å; W259-F264 HydrophobicContact CD2-CD2 3.59Å; W259-F264 HydrophobicContact CD2-CE2 4.32Å; W259-F264 HydrophobicContact CD2-CG 4.46Å; W259-F264 AromaticContact CE2-CD2 3.72Å; W259-F264 AromaticContact CE2-CE2 3.97Å; W259-F264 HydrophobicContact CE3-CD2 4.1Å; W259-F264 HydrophobicContact CG-CB 4.01Å; W259-F264 AromaticContact CG-CD2 3.68Å; W259-F264 HydrophobicContact CG-CD2 3.68Å; W259-F264 HydrophobicContact CG-CG 4.16Å; W259-F264 HydrophobicContact CZ2-CD2 4.35Å; W259-F264 HydrophobicContact CZ2-CE2 4.31Å; W259-F264 AromaticContact NE1-CD2 3.83Å; W259-F264 AromaticContact NE1-CE2 3.98Å
260	H	95.2	Very high	94	Very high	30 Å²	30	48.3 Å²	48.3	14%	0.139	29%	0.285	C	S	.	.			trans	-57.8	147.9	161.6	-71	107	0	0	0	109.5	C239 C242 S262 H263 F264	C239-H260 VanDerWaalsContact CB-ND1 3.26Å; C239-H260 WeakPolarHBondContact CB-ND1 3.13Å; C239-H260 PolarHBondContact SG-N 2.75Å; C239-H260 VanDerWaalsContact SG-N 3.45Å; C239-H260 PolarHBondContact SG-ND1 3.3Å; C242-H260 PolarHBondContact SG-ND1 3.19Å; C242-H260 VanDerWaalsContact SG-ND1 3.44Å; H260-S262 PolarHBondContact O-N 3.04Å; H260-S262 VanDerWaalsContact O-N 3.17Å; H260-H263 HydrophobicContact CB-CB 4.12Å; H260-H263 AromaticContact CG-ND1 3.96Å; H260-H263 AromaticContact ND1-CE1 3.82Å; H260-H263 AromaticContact ND1-ND1 3.49Å; H260-H263 PolarHBondContact ND1-ND1 2.89Å; H260-H263 PolarHBondContact O-N 3.38Å; H260-F264 PolarHBondContact O-N 2.99Å
261	L	92.6	Very high	94	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-40.4	-179.8	-61	-173.9	0	0	0	112.3	I252 C272	I252-L261 HydrophobicContact CD1-CD2 4Å; I252-L261 HydrophobicContact CG1-CD2 3.73Å; L261-C272 PolarHBondContact O-SG 3.05Å
262	S	91.7	Very high	93.9	Very high	85 Å²	85	52 Å²	52	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.4	178.6	54.1	0	0	0	0	114.1	H260 S265	H260-S262 PolarHBondContact O-N 3.04Å; H260-S262 VanDerWaalsContact O-N 3.17Å; S262-S265 PolarHBondContact O-OG 3.46Å
263	H	94.1	Very high	93.8	Very high	65 Å²	65	52 Å²	52	30%	0.301	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.7	-176.2	-68.4	167	0	0	0	113.8	C239 A241 C242 H260	C239-H263 PolarHBondContact SG-ND1 3.48Å; A241-H263 HydrophobicContact CB-CB 3.74Å; C242-H263 WeakPolarHBondContact CB-CE1 3.2Å; C242-H263 PolarHBondContact SG-CE1 2.85Å; C242-H263 PolarHBondContact SG-ND1 2.67Å; C242-H263 VanDerWaalsContact SG-ND1 3.41Å; H260-H263 HydrophobicContact CB-CB 4.12Å; H260-H263 AromaticContact CG-ND1 3.96Å; H260-H263 AromaticContact ND1-CE1 3.82Å; H260-H263 AromaticContact ND1-ND1 3.49Å; H260-H263 PolarHBondContact ND1-ND1 2.89Å; H260-H263 PolarHBondContact O-N 3.38Å
264	F	95.5	Very high	93.4	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	29%	0.294	C	S	.	.	S	Bend	trans	-103.6	79.7	169.5	-158	-102.9	0	0	0	110.2	P33 I252 A254 W259 H260 L273 Y278 P285	P33-F264 HydrophobicContact CB-CD1 4.29Å; P33-F264 HydrophobicContact CB-CE1 3.83Å; P33-F264 HydrophobicContact CG-CD1 4.19Å; P33-F264 HydrophobicContact CG-CE1 3.85Å; I252-F264 HydrophobicContact CB-CB 4.2Å; I252-F264 HydrophobicContact CD1-CB 3.73Å; I252-F264 HydrophobicContact CD1-CD1 4.33Å; I252-F264 HydrophobicContact CD1-CG 4.46Å; I252-F264 HydrophobicContact CG2-CB 4.04Å; I252-F264 HydrophobicContact CG2-CD1 3.69Å; I252-F264 HydrophobicContact CG2-CE1 4.35Å; I252-F264 HydrophobicContact CG2-CG 3.87Å; A254-F264 HydrophobicContact CB-CD1 4.45Å; A254-F264 HydrophobicContact CB-CD2 4.25Å; A254-F264 HydrophobicContact CB-CE1 3.83Å; A254-F264 HydrophobicContact CB-CE2 3.58Å; A254-F264 HydrophobicContact CB-CZ 3.34Å; W259-F264 HydrophobicContact CB-CB 3.75Å; W259-F264 HydrophobicContact CB-CD2 4.37Å; W259-F264 HydrophobicContact CB-CG 4.41Å; W259-F264 AromaticContact CD1-CD2 3.79Å; W259-F264 HydrophobicContact CD2-CB 4.49Å; W259-F264 AromaticContact CD2-CD2 3.59Å; W259-F264 HydrophobicContact CD2-CD2 3.59Å; W259-F264 HydrophobicContact CD2-CE2 4.32Å; W259-F264 HydrophobicContact CD2-CG 4.46Å; W259-F264 AromaticContact CE2-CD2 3.72Å; W259-F264 AromaticContact CE2-CE2 3.97Å; W259-F264 HydrophobicContact CE3-CD2 4.1Å; W259-F264 HydrophobicContact CG-CB 4.01Å; W259-F264 AromaticContact CG-CD2 3.68Å; W259-F264 HydrophobicContact CG-CD2 3.68Å; W259-F264 HydrophobicContact CG-CG 4.16Å; W259-F264 HydrophobicContact CZ2-CD2 4.35Å; W259-F264 HydrophobicContact CZ2-CE2 4.31Å; W259-F264 AromaticContact NE1-CD2 3.83Å; W259-F264 AromaticContact NE1-CE2 3.98Å; H260-F264 PolarHBondContact O-N 2.99Å; F264-L273 HydrophobicContact CD1-CB 3.72Å; F264-L273 HydrophobicContact CD1-CD1 4.47Å; F264-L273 HydrophobicContact CE1-CB 3.89Å; F264-L273 HydrophobicContact CE1-CD1 4.28Å; F264-L273 PolarHBondContact O-N 3.41Å; F264-Y278 HydrophobicContact CE1-CD1 4.15Å; F264-Y278 HydrophobicContact CE1-CD2 4.32Å; F264-Y278 HydrophobicContact CE1-CE1 4.06Å; F264-Y278 HydrophobicContact CE1-CE2 4.24Å; F264-Y278 HydrophobicContact CE1-CG 4.29Å; F264-Y278 HydrophobicContact CZ-CD1 4.47Å; F264-Y278 AromaticContact CZ-CD2 3.99Å; F264-Y278 HydrophobicContact CZ-CD2 3.99Å; F264-Y278 HydrophobicContact CZ-CE1 4.12Å; F264-Y278 AromaticContact CZ-CE2 3.62Å; F264-Y278 HydrophobicContact CZ-CE2 3.62Å; F264-Y278 HydrophobicContact CZ-CG 4.41Å; F264-Y278 AromaticContact CZ-CZ 3.71Å; F264-P285 HydrophobicContact CE2-CB 4.25Å; F264-P285 HydrophobicContact CE2-CG 4.24Å; F264-P285 HydrophobicContact CZ-CB 4.05Å; F264-P285 HydrophobicContact CZ-CG 4.49Å
265	S	95.2	Very high	92.9	Very high	30 Å²	30	50.3 Å²	50.3	21%	0.21	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-129.7	153.9	-175	53.2	0	0	0	0	111.8	S262 S267 S270 I271 P285	S262-S265 PolarHBondContact O-OG 3.46Å; S265-S267 PolarHBondContact O-N 3.33Å; S265-S270 WeakPolarHBondContact CB-O 3.36Å; S265-I271 CarbonylContact C-O 3.54Å; S265-I271 WeakPolarHBondContact CA-O 3.46Å; S265-I271 WeakPolarHBondContact CB-O 3.2Å; S265-P285 WeakPolarHBondContact O-CG 3.49Å
266	C	94.7	Very high	92.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	32%	0.316	C	S	.	.			trans	-57	129.8	178.2	178.5	0	0	0	0	110.3	Q268 C269 S270 I271 L273 P285 C287	C266-Q268 PolarHBondContact O-N 3.11Å; C266-Q268 VanDerWaalsContact O-N 3.12Å; C266-C269 VanDerWaalsContact SG-SG 3.65Å; C266-S270 WeakPolarHBondContact O-CA 3.41Å; C266-S270 PolarHBondContact O-N 2.9Å; C266-I271 HydrophobicContact CB-CG2 3.9Å; C266-I271 PolarHBondContact N-O 3.04Å; C266-L273 HydrophobicContact CB-CD1 4.43Å; C266-L273 HydrophobicContact CB-CD2 4.16Å; C266-L273 HydrophobicContact CB-CG 4.4Å; C266-P285 CarbonylContact C-O 3.55Å; C266-P285 WeakPolarHBondContact CA-O 3.48Å; C266-C287 HydrophobicContact CB-CB 4.15Å; C266-C287 PolarHBondContact SG-N 3.47Å; C266-C287 VanDerWaalsContact SG-SG 3.66Å
267	S	93.9	Very high	92.5	Very high	36 Å²	36	49.8 Å²	49.8	25%	0.252	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.5	-177.1	-72.2	0	0	0	0	114.5	S265 R284 P285	S265-S267 PolarHBondContact O-N 3.33Å; S267-R284 WeakPolarHBondContact OG-CB 3.31Å; S267-R284 PolarHBondContact OG-NE 3.2Å; S267-P285 PolarHBondContact N-O 3.43Å; S267-P285 PolarHBondContact OG-O 3.32Å
268	Q	93.2	Very high	92.4	Very high	80 Å²	80	44.9 Å²	44.9	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-52.1	179.7	-173.7	170.2	10.8	0	0	112.6	C266 Y286 C290 D294	C266-Q268 PolarHBondContact O-N 3.11Å; C266-Q268 VanDerWaalsContact O-N 3.12Å; Q268-Y286 HydrophobicContact CB-CD1 4.35Å; Q268-Y286 HydrophobicContact CB-CE1 4.37Å; Q268-C290 HydrophobicContact CB-CB 4.07Å; Q268-C290 HydrophobicContact CG-CB 4.41Å; Q268-C290 PolarHBondContact OE1-O 2.78Å; Q268-D294 PolarHBondContact NE2-OD1 3.34Å; Q268-D294 PolarHBondContact OE1-OD2 3.33Å
269	C	94	Very high	92.1	Very high	51 Å²	51	43.9 Å²	43.9	35%	0.345	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	0.8	-177.2	66	0	0	0	0	114.9	C266 I271 C287 C290	C266-C269 VanDerWaalsContact SG-SG 3.65Å; C269-I271 PolarHBondContact O-N 3.41Å; C269-I271 VanDerWaalsContact SG-CG2 3.55Å; C269-C287 VanDerWaalsContact SG-SG 3.66Å; C269-C290 PolarHBondContact SG-SG 3.3Å
270	S	93.8	Very high	91.8	Very high	90 Å²	90	43.6 Å²	43.6	63%	0.629	26%	0.262	S	S	*	.			trans	58.5	12.3	178.9	-52.7	0	0	0	0	115.9	S265 C266	S265-S270 WeakPolarHBondContact CB-O 3.36Å; C266-S270 WeakPolarHBondContact O-CA 3.41Å; C266-S270 PolarHBondContact O-N 2.9Å
271	I	91.8	Very high	91.3	Very high	79 Å²	79	45.2 Å²	45.2	41%	0.405	27%	0.267	S	S	.	.			trans	-66.2	136.4	174.3	-161.1	167.9	0	0	0	110.2	S265 C266 C269 L273 C287	S265-I271 CarbonylContact C-O 3.54Å; S265-I271 WeakPolarHBondContact CA-O 3.46Å; S265-I271 WeakPolarHBondContact CB-O 3.2Å; C266-I271 HydrophobicContact CB-CG2 3.9Å; C266-I271 PolarHBondContact N-O 3.04Å; C269-I271 PolarHBondContact O-N 3.41Å; C269-I271 VanDerWaalsContact SG-CG2 3.55Å; I271-L273 HydrophobicContact CG2-CD2 4.35Å; I271-L273 PolarHBondContact O-N 3.13Å; I271-C287 HydrophobicContact CG2-CB 4.28Å
272	C	92.1	Very high	91	Very high	50 Å²	50	50.7 Å²	50.7	34%	0.338	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-58	130.5	172.6	-178.5	0	0	0	0	109.9	L261	L261-C272 PolarHBondContact O-SG 3.05Å
273	L	93	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.			trans	-95.1	0.9	-177.5	-66.5	172.7	0	0	0	113.1	P33 F264 C266 I271 G275 C276 Y278 P285 C287	P33-L273 WeakPolarHBondContact CD-O 3.36Å; P33-L273 WeakPolarHBondContact CG-O 3.45Å; F264-L273 HydrophobicContact CD1-CB 3.72Å; F264-L273 HydrophobicContact CD1-CD1 4.47Å; F264-L273 HydrophobicContact CE1-CB 3.89Å; F264-L273 HydrophobicContact CE1-CD1 4.28Å; F264-L273 PolarHBondContact O-N 3.41Å; C266-L273 HydrophobicContact CB-CD1 4.43Å; C266-L273 HydrophobicContact CB-CD2 4.16Å; C266-L273 HydrophobicContact CB-CG 4.4Å; I271-L273 HydrophobicContact CG2-CD2 4.35Å; I271-L273 PolarHBondContact O-N 3.13Å; L273-G275 PolarHBondContact O-N 3.3Å; L273-C276 HydrophobicContact CD2-CB 4.47Å; L273-C276 PolarHBondContact O-N 3.48Å; L273-Y278 HydrophobicContact CD1-CG 4.44Å; L273-P285 HydrophobicContact CD1-CB 3.56Å; L273-P285 HydrophobicContact CD1-CG 4.06Å; L273-C287 HydrophobicContact CD2-CB 3.66Å
274	G	87.4	Confident	90.6	Very high	10 Å²	10	57 Å²	57	10%	0.103	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	110.3	178.9	0	0	0	0	0	112.2	K35 C276	K35-G274 WeakPolarHBondContact CE-O 3.39Å; G274-C276 VanDerWaalsContact C-N 3.29Å
275	G	81.3	Confident	90.5	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-1.1	-175.7	0	0	0	0	0	115.1	L273	L273-G275 PolarHBondContact O-N 3.3Å
276	C	85.8	Confident	90.4	Very high	58 Å²	58	58.1 Å²	58.1	39%	0.392	31%	0.312	S	S	.	.	S	Bend	trans	-95	151.1	172.8	-63.7	0	0	0	0	110.5	P33 L273 G274	P33-C276 WeakPolarHBondContact CD-O 3.48Å; L273-C276 HydrophobicContact CD2-CB 4.47Å; L273-C276 PolarHBondContact O-N 3.48Å; G274-C276 VanDerWaalsContact C-N 3.29Å
277	R	88.9	Confident	90.3	Very high	97 Å²	97	58.6 Å²	58.6	37%	0.366	32%	0.315	S	S	.	.			trans	-68.3	137.7	168.6	-66.8	-174.4	78.2	-165.6	5.6	110.5	A30 M31 V32 L288	A30-R277 PolarHBondContact O-NH2 3.15Å; M31-R277 CarbonylContact O-C 3.59Å; M31-R277 WeakPolarHBondContact O-CA 3.41Å; V32-R277 HydrophobicContact CG2-CG 3.58Å; R277-L288 HydrophobicContact CB-CD1 3.55Å; R277-L288 HydrophobicContact CB-CG 4.01Å; R277-L288 HydrophobicContact CG-CD1 4.45Å
278	Y	92.3	Very high	90	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.9	177.3	75.1	-76.7	0	0	0	111.3	A30 M31 P33 E255 F264 L273 M280 P285 Y286	A30-Y278 CarbonylContact C-O 3.56Å; A30-Y278 WeakPolarHBondContact CA-O 3.36Å; M31-Y278 HydrophobicContact CB-CD1 4.36Å; M31-Y278 HydrophobicContact CB-CE1 3.71Å; M31-Y278 PolarHBondContact N-O 2.98Å; M31-Y278 VanDerWaalsContact O-CD1 3.24Å; M31-Y278 WeakPolarHBondContact O-CD1 3.44Å; M31-Y278 PolarHBondContact O-N 2.91Å; P33-Y278 HydrophobicContact CB-CD1 4.46Å; P33-Y278 HydrophobicContact CB-CE1 3.85Å; P33-Y278 HydrophobicContact CG-CD1 4.11Å; P33-Y278 HydrophobicContact CG-CE1 3.99Å; E255-Y278 PolarHBondContact OE1-OH 3.47Å; F264-Y278 HydrophobicContact CE1-CD1 4.15Å; F264-Y278 HydrophobicContact CE1-CD2 4.32Å; F264-Y278 HydrophobicContact CE1-CE1 4.06Å; F264-Y278 HydrophobicContact CE1-CE2 4.24Å; F264-Y278 HydrophobicContact CE1-CG 4.29Å; F264-Y278 HydrophobicContact CZ-CD1 4.47Å; F264-Y278 AromaticContact CZ-CD2 3.99Å; F264-Y278 HydrophobicContact CZ-CD2 3.99Å; F264-Y278 HydrophobicContact CZ-CE1 4.12Å; F264-Y278 AromaticContact CZ-CE2 3.62Å; F264-Y278 HydrophobicContact CZ-CE2 3.62Å; F264-Y278 HydrophobicContact CZ-CG 4.41Å; F264-Y278 AromaticContact CZ-CZ 3.71Å; L273-Y278 HydrophobicContact CD1-CG 4.44Å; Y278-M280 HydrophobicContact CD2-CG 4.21Å; Y278-M280 HydrophobicContact CD2-SD 4.12Å; Y278-M280 HydrophobicContact CE2-CG 3.64Å; Y278-M280 HydrophobicContact CE2-SD 3.77Å; Y278-P285 HydrophobicContact CD2-CB 3.92Å; Y278-Y286 CarbonylContact C-O 3.47Å; Y278-Y286 WeakPolarHBondContact CA-O 3.33Å; Y278-Y286 WeakPolarHBondContact CB-O 3.43Å
279	V	90.5	Very high	89.7	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.5	172	169.2	0	0	0	0	108.6	S28 A30 R281 Y286 L288 L291	S28-V279 WeakPolarHBondContact O-CG1 3.1Å; S28-V279 WeakPolarHBondContact OG-CG1 3.2Å; A30-V279 HydrophobicContact CB-CG2 3.78Å; V279-R281 HydrophobicContact CG1-CG 4.27Å; V279-Y286 PolarHBondContact N-O 3Å; V279-Y286 PolarHBondContact O-N 2.85Å; V279-L288 HydrophobicContact CG2-CD2 3.79Å; V279-L291 HydrophobicContact CB-CD1 4.5Å; V279-L291 HydrophobicContact CB-CD2 3.98Å; V279-L291 HydrophobicContact CG1-CD1 4.42Å; V279-L291 HydrophobicContact CG1-CD2 4.27Å; V279-L291 HydrophobicContact CG2-CD2 3.7Å
280	M	90.2	Very high	89.5	Confident	33 Å²	33	58.3 Å²	58.3	16%	0.163	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117.9	172	-71.3	-60	-75.1	0	0	110.3	S28 E255 Y278 N283 P285	S28-M280 PolarHBondContact OG-N 3.37Å; S28-M280 VanDerWaalsContact OG-N 3.12Å; S28-M280 PolarHBondContact OG-O 3.49Å; E255-M280 HydrophobicContact CG-CE 4.23Å; E255-M280 HydrophobicContact CG-CG 3.91Å; E255-M280 HydrophobicContact CG-SD 4.2Å; Y278-M280 HydrophobicContact CD2-CG 4.21Å; Y278-M280 HydrophobicContact CD2-SD 4.12Å; Y278-M280 HydrophobicContact CE2-CG 3.64Å; Y278-M280 HydrophobicContact CE2-SD 3.77Å; M280-N283 VanDerWaalsContact CE-C 3.43Å; M280-P285 HydrophobicContact SD-CB 3.61Å; M280-P285 HydrophobicContact SD-CG 4.4Å
281	R	85.8	Confident	89	Confident	65 Å²	65	54.3 Å²	54.3	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.4	167.2	-69.4	-173.1	179.1	-173.4	-0.3	108.6	L27 V279 N283 R284 Y286 T295	L27-R281 HydrophobicContact CD2-CG 3.99Å; V279-R281 HydrophobicContact CG1-CG 4.27Å; R281-N283 VanDerWaalsContact C-N 3.3Å; R281-N283 PolarHBondContact O-N 3.46Å; R281-R284 PolarHBondContact N-O 3.12Å; R281-R284 WeakPolarHBondContact O-CA 3.37Å; R281-R284 WeakPolarHBondContact O-CB 3.34Å; R281-R284 PolarHBondContact O-N 3.31Å; R281-R284 VanDerWaalsContact O-O 3.1Å; R281-Y286 HydrophobicContact CB-CD2 4.06Å; R281-Y286 HydrophobicContact CB-CE2 3.83Å; R281-Y286 HydrophobicContact CG-CD2 4.45Å; R281-T295 PolarHBondContact NH2-OG1 3.12Å
282	E	86.2	Confident	88.5	Confident	177 Å²	177	51.8 Å²	51.8	83%	0.827	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	45.2	175.6	-55.9	178.6	169.4	0	0	113.3	R284	E282-R284 PolarHBondContact O-N 3.12Å; E282-R284 VanDerWaalsContact O-N 3.17Å
283	N	87.2	Confident	87.9	Confident	152 Å²	152	55.1 Å²	55.1	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	19.9	-174.9	-66.1	-22.1	0	0	0	115.4	M280 R281	M280-N283 VanDerWaalsContact CE-C 3.43Å; R281-N283 VanDerWaalsContact C-N 3.3Å; R281-N283 PolarHBondContact O-N 3.46Å
284	R	90.7	Very high	86.7	Confident	131 Å²	131	59.7 Å²	59.7	49%	0.494	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	177.5	-66.6	-173.1	79	159.6	4	110.1	S267 R281 E282 Y286	S267-R284 WeakPolarHBondContact OG-CB 3.31Å; S267-R284 PolarHBondContact OG-NE 3.2Å; R281-R284 PolarHBondContact N-O 3.12Å; R281-R284 WeakPolarHBondContact O-CA 3.37Å; R281-R284 WeakPolarHBondContact O-CB 3.34Å; R281-R284 PolarHBondContact O-N 3.31Å; R281-R284 VanDerWaalsContact O-O 3.1Å; E282-R284 PolarHBondContact O-N 3.12Å; E282-R284 VanDerWaalsContact O-N 3.17Å; R284-Y286 HydrophobicContact CB-CE2 3.67Å; R284-Y286 WeakPolarHBondContact O-CD2 3.41Å; R284-Y286 VanDerWaalsContact O-CE2 3.29Å; R284-Y286 WeakPolarHBondContact O-CE2 3.15Å
285	P	92.7	Very high	85.5	Confident	16 Å²	16	61 Å²	61	10%	0.104	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137	179.6	32.5	-35	0	0	0	110.8	F264 S265 C266 S267 L273 Y278 M280	F264-P285 HydrophobicContact CE2-CB 4.25Å; F264-P285 HydrophobicContact CE2-CG 4.24Å; F264-P285 HydrophobicContact CZ-CB 4.05Å; F264-P285 HydrophobicContact CZ-CG 4.49Å; S265-P285 WeakPolarHBondContact O-CG 3.49Å; C266-P285 CarbonylContact C-O 3.55Å; C266-P285 WeakPolarHBondContact CA-O 3.48Å; S267-P285 PolarHBondContact N-O 3.43Å; S267-P285 PolarHBondContact OG-O 3.32Å; L273-P285 HydrophobicContact CD1-CB 3.56Å; L273-P285 HydrophobicContact CD1-CG 4.06Å; Y278-P285 HydrophobicContact CD2-CB 3.92Å; M280-P285 HydrophobicContact SD-CB 3.61Å; M280-P285 HydrophobicContact SD-CG 4.4Å
286	Y	92.8	Very high	84.4	Confident	37 Å²	37	68.3 Å²	68.3	15%	0.145	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.7	177.5	-66.1	-96.1	0	0	0	110.5	Q268 Y278 V279 R281 R284	Q268-Y286 HydrophobicContact CB-CD1 4.35Å; Q268-Y286 HydrophobicContact CB-CE1 4.37Å; Y278-Y286 CarbonylContact C-O 3.47Å; Y278-Y286 WeakPolarHBondContact CA-O 3.33Å; Y278-Y286 WeakPolarHBondContact CB-O 3.43Å; V279-Y286 PolarHBondContact N-O 3Å; V279-Y286 PolarHBondContact O-N 2.85Å; R281-Y286 HydrophobicContact CB-CD2 4.06Å; R281-Y286 HydrophobicContact CB-CE2 3.83Å; R281-Y286 HydrophobicContact CG-CD2 4.45Å; R284-Y286 HydrophobicContact CB-CE2 3.67Å; R284-Y286 WeakPolarHBondContact O-CD2 3.41Å; R284-Y286 VanDerWaalsContact O-CE2 3.29Å; R284-Y286 WeakPolarHBondContact O-CE2 3.15Å
287	C	92.4	Very high	83.1	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	153.8	167.3	72.1	0	0	0	0	109.9	C266 C269 I271 L273 R289 C290 L291	C266-C287 HydrophobicContact CB-CB 4.15Å; C266-C287 PolarHBondContact SG-N 3.47Å; C266-C287 VanDerWaalsContact SG-SG 3.66Å; C269-C287 VanDerWaalsContact SG-SG 3.66Å; I271-C287 HydrophobicContact CG2-CB 4.28Å; L273-C287 HydrophobicContact CD2-CB 3.66Å; C287-R289 VanDerWaalsContact C-N 3.25Å; C287-R289 PolarHBondContact O-N 2.91Å; C287-C290 PolarHBondContact O-N 3.47Å; C287-C290 VanDerWaalsContact SG-CB 3.59Å; C287-C290 PolarHBondContact SG-N 2.93Å; C287-L291 PolarHBondContact O-N 2.9Å
288	L	88	Confident	82.3	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-32.4	-176.8	-58	-174.7	0	0	0	113.3	A30 R277 V279 L291 D292 T310	A30-L288 HydrophobicContact CB-CD1 4.38Å; A30-L288 HydrophobicContact CB-CD2 3.78Å; R277-L288 HydrophobicContact CB-CD1 3.55Å; R277-L288 HydrophobicContact CB-CG 4.01Å; R277-L288 HydrophobicContact CG-CD1 4.45Å; V279-L288 HydrophobicContact CG2-CD2 3.79Å; L288-L291 HydrophobicContact CD2-CD2 4.31Å; L288-L291 WeakPolarHBondContact O-CB 3.48Å; L288-L291 PolarHBondContact O-N 3.28Å; L288-D292 PolarHBondContact O-N 2.73Å; L288-T310 HydrophobicContact CB-CG2 4.05Å; L288-T310 HydrophobicContact CD1-CG2 3.37Å; L288-T310 HydrophobicContact CG-CG2 4.36Å
289	R	87.3	Confident	82	Confident	143 Å²	143	69.3 Å²	69.3	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-48.5	175.1	178.1	178.2	59.5	-148.7	-3.8	112.2	C287 L291 D292 E293	C287-R289 VanDerWaalsContact C-N 3.25Å; C287-R289 PolarHBondContact O-N 2.91Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.43Å; R289-D292 WeakPolarHBondContact O-CB 3.45Å; R289-D292 PolarHBondContact O-N 2.86Å; R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.42Å; R289-E293 VanDerWaalsContact O-N 3.12Å
290	C	89.7	Confident	82.1	Confident	2 Å²	2	69 Å²	69	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-37.4	177.4	-79.4	0	0	0	0	111.5	Q268 C269 C287 D292 E293 D294	Q268-C290 HydrophobicContact CB-CB 4.07Å; Q268-C290 HydrophobicContact CG-CB 4.41Å; Q268-C290 PolarHBondContact OE1-O 2.78Å; C269-C290 PolarHBondContact SG-SG 3.3Å; C287-C290 PolarHBondContact O-N 3.47Å; C287-C290 VanDerWaalsContact SG-CB 3.59Å; C287-C290 PolarHBondContact SG-N 2.93Å; C290-D292 VanDerWaalsContact C-N 3.31Å; C290-D292 PolarHBondContact O-N 2.84Å; C290-E293 PolarHBondContact O-N 2.89Å; C290-D294 PolarHBondContact O-N 3.31Å
291	L	83.5	Confident	82.1	Confident	7 Å²	7	69 Å²	69	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-41.6	173.3	-161.6	72.9	0	0	0	112.4	V279 C287 L288 R289 E293 T295	V279-L291 HydrophobicContact CB-CD1 4.5Å; V279-L291 HydrophobicContact CB-CD2 3.98Å; V279-L291 HydrophobicContact CG1-CD1 4.42Å; V279-L291 HydrophobicContact CG1-CD2 4.27Å; V279-L291 HydrophobicContact CG2-CD2 3.7Å; C287-L291 PolarHBondContact O-N 2.9Å; L288-L291 HydrophobicContact CD2-CD2 4.31Å; L288-L291 WeakPolarHBondContact O-CB 3.48Å; L288-L291 PolarHBondContact O-N 3.28Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.43Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-T295 WeakPolarHBondContact O-CB 3.37Å; L291-T295 PolarHBondContact O-N 3Å; L291-T295 PolarHBondContact O-OG1 3.35Å
292	D	80.4	Confident	82.5	Confident	26 Å²	26	68.9 Å²	68.9	14%	0.139	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-28.7	177.7	-70.2	-17.3	0	0	0	113	L288 R289 C290 V297 A308 N309	L288-D292 PolarHBondContact O-N 2.73Å; R289-D292 WeakPolarHBondContact O-CB 3.45Å; R289-D292 PolarHBondContact O-N 2.86Å; C290-D292 VanDerWaalsContact C-N 3.31Å; C290-D292 PolarHBondContact O-N 2.84Å; D292-V297 HydrophobicContact CB-CG2 4.08Å; D292-V297 WeakPolarHBondContact O-CG2 3.37Å; D292-A308 WeakPolarHBondContact OD2-CA 3.39Å; D292-A308 WeakPolarHBondContact OD2-CB 2.98Å; D292-N309 WeakPolarHBondContact OD1-CB 3.47Å; D292-N309 PolarHBondContact OD1-N 3.03Å; D292-N309 PolarHBondContact OD1-ND2 3.2Å; D292-N309 PolarHBondContact OD2-N 2.88Å
293	E	79.3	Confident	82.8	Confident	120 Å²	120	62.3 Å²	62.3	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-76	-39.7	177.2	-72.7	168.3	-179.3	0	0	111.5	R289 C290 L291	R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.42Å; R289-E293 VanDerWaalsContact O-N 3.12Å; C290-E293 PolarHBondContact O-N 2.89Å; L291-E293 VanDerWaalsContact C-N 3.3Å
294	D	67.7	Low	83	Confident	95 Å²	95	64.5 Å²	64.5	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-86.6	-18.8	-176	-82.9	3.6	0	0	0	114.4	Q268 C290	Q268-D294 PolarHBondContact NE2-OD1 3.34Å; Q268-D294 PolarHBondContact OE1-OD2 3.33Å; C290-D294 PolarHBondContact O-N 3.31Å
295	T	63.8	Low	83	Confident	39 Å²	39	66.1 Å²	66.1	24%	0.239	32%	0.315	C	S	.	.	S	Bend	trans	-100.2	144.3	-178.9	-37.1	0	0	0	0	109.7	R281 L291 V297	R281-T295 PolarHBondContact NH2-OG1 3.12Å; L291-T295 WeakPolarHBondContact O-CB 3.37Å; L291-T295 PolarHBondContact O-N 3Å; L291-T295 PolarHBondContact O-OG1 3.35Å; T295-V297 WeakPolarHBondContact O-CG2 3.11Å; T295-V297 PolarHBondContact O-N 3.24Å
296	F	56.6	Low	82.7	Confident	203 Å²	203	71.9 Å²	71.9	89%	0.89	34%	0.338	S	S	*	.			trans	-64	81.3	168.8	-98.5	-90.2	0	0	0	109.3	H298	F296-H298 PolarHBondContact O-N 3.3Å
297	V	60.1	Low	82.2	Confident	15 Å²	15	70.1 Å²	70.1	9%	0.091	33%	0.331	C	S	.	.			trans	-66.8	110	176.7	178.7	0	0	0	0	107.4	D292 T295 S299 K306 I307	D292-V297 HydrophobicContact CB-CG2 4.08Å; D292-V297 WeakPolarHBondContact O-CG2 3.37Å; T295-V297 WeakPolarHBondContact O-CG2 3.11Å; T295-V297 PolarHBondContact O-N 3.24Å; V297-S299 PolarHBondContact O-N 2.98Å; V297-K306 HydrophobicContact CB-CB 4.44Å; V297-K306 HydrophobicContact CB-CD 4.45Å; V297-K306 HydrophobicContact CG1-CB 4.02Å; V297-I307 VanDerWaalsContact CG1-C 3.45Å; V297-I307 WeakPolarHBondContact CG1-O 3.45Å
298	H	70.3	Confident	81.5	Confident	97 Å²	97	70.7 Å²	70.7	45%	0.449	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-51.7	135.4	179.1	-64.3	-76.7	0	0	0	110.9	F296 I307 Q320	F296-H298 PolarHBondContact O-N 3.3Å; H298-I307 PolarHBondContact O-N 2.76Å; H298-Q320 HydrophobicContact CB-CB 4.3Å; H298-Q320 HydrophobicContact CB-CG 4.19Å; H298-Q320 VanDerWaalsContact CB-OE1 3.29Å; H298-Q320 PolarHBondContact CD2-NE2 3.13Å; H298-Q320 PolarHBondContact CD2-OE1 3.32Å
299	S	87.4	Confident	80.7	Confident	65 Å²	65	71.9 Å²	71.9	46%	0.455	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-77.9	137.7	176	-63.8	0	0	0	0	110.3	V297 A301	V297-S299 PolarHBondContact O-N 2.98Å; S299-A301 PolarHBondContact O-N 3.32Å
300	C	92.1	Very high	80	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.4	124.1	171.9	176.1	0	0	0	0	110.3	T302 C303 R304 R305 I307 Q320 H322	C300-T302 PolarHBondContact O-N 3.18Å; C300-C303 VanDerWaalsContact SG-SG 3.67Å; C300-R304 WeakPolarHBondContact O-CA 3.43Å; C300-R304 PolarHBondContact O-N 2.91Å; C300-R305 WeakPolarHBondContact CB-O 3.37Å; C300-R305 PolarHBondContact N-O 2.84Å; C300-I307 HydrophobicContact CB-CD1 4.05Å; C300-I307 HydrophobicContact CB-CG1 3.87Å; C300-Q320 CarbonylContact C-O 3.5Å; C300-Q320 VanDerWaalsContact CA-O 3.31Å; C300-Q320 WeakPolarHBondContact CA-O 3.34Å; C300-H322 WeakPolarHBondContact CB-ND1 3.27Å; C300-H322 PolarHBondContact SG-ND1 2.98Å
301	A	91.2	Very high	79.5	Confident	31 Å²	31	71.5 Å²	71.5	26%	0.256	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.7	-176.3	0	0	0	0	0	112.6	S299 R304 Q320 W321	S299-A301 PolarHBondContact O-N 3.32Å; A301-R304 PolarHBondContact O-NE 2.85Å; A301-Q320 PolarHBondContact N-O 3.06Å; A301-W321 HydrophobicContact CB-CD2 4.34Å; A301-W321 HydrophobicContact CB-CZ2 3.98Å
302	T	92.7	Very high	79.5	Confident	64 Å²	64	75.2 Å²	75.2	39%	0.393	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-58.4	176.8	-58.1	0	0	0	0	112.9	C300 W321 C327	C300-T302 PolarHBondContact O-N 3.18Å; T302-W321 PolarHBondContact OG1-NE1 2.85Å; T302-C327 VanDerWaalsContact CB-O 3.24Å; T302-C327 WeakPolarHBondContact CB-O 3.34Å; T302-C327 PolarHBondContact OG1-O 3.49Å
303	C	93.6	Very high	79.9	Confident	38 Å²	38	75.9 Å²	75.9	26%	0.257	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.8	-172.6	79.9	0	0	0	0	114.6	C300 R305	C300-C303 VanDerWaalsContact SG-SG 3.67Å; C303-R305 PolarHBondContact O-N 2.76Å
304	R	91.6	Very high	80.5	Confident	198 Å²	198	70.3 Å²	70.3	75%	0.747	35%	0.353	S	S	*	.			trans	59.9	1.2	-179.7	-54.4	-62.9	-176.9	134.9	-0.1	116.2	C300 A301	C300-R304 WeakPolarHBondContact O-CA 3.43Å; C300-R304 PolarHBondContact O-N 2.91Å; A301-R304 PolarHBondContact O-NE 2.85Å
305	R	90	Very high	81.4	Confident	166 Å²	166	68.1 Å²	68.1	63%	0.626	34%	0.344	S	S	*	.	S	Bend	trans	-79.3	150.5	173.5	-65.7	179.6	-76.5	164.7	-2.9	111	C300 C303	C300-R305 WeakPolarHBondContact CB-O 3.37Å; C300-R305 PolarHBondContact N-O 2.84Å; C303-R305 PolarHBondContact O-N 2.76Å
306	K	86.1	Confident	82.6	Confident	136 Å²	136	69.3 Å²	69.3	59%	0.591	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-58.5	143.5	173.4	-66.1	-174.5	176.3	-171.2	0	110.8	V297 H322	V297-K306 HydrophobicContact CB-CB 4.44Å; V297-K306 HydrophobicContact CB-CD 4.45Å; V297-K306 HydrophobicContact CG1-CB 4.02Å; K306-H322 PolarHBondContact O-NE2 3.37Å
307	I	83.6	Confident	83.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.			trans	-102.4	101.8	174.9	-53.4	167.4	0	0	0	108.9	V297 H298 C300 D311 R313 Q320 W321	V297-I307 VanDerWaalsContact CG1-C 3.45Å; V297-I307 WeakPolarHBondContact CG1-O 3.45Å; H298-I307 PolarHBondContact O-N 2.76Å; C300-I307 HydrophobicContact CB-CD1 4.05Å; C300-I307 HydrophobicContact CB-CG1 3.87Å; I307-D311 HydrophobicContact CG2-CB 3.9Å; I307-R313 HydrophobicContact CG2-CB 3.99Å; I307-R313 PolarHBondContact O-NH2 2.85Å; I307-Q320 HydrophobicContact CD1-CB 3.8Å; I307-W321 VanDerWaalsContact CD1-C 3.45Å
308	A	76.2	Confident	85	Confident	23 Å²	23	71.7 Å²	71.7	19%	0.19	37%	0.365	C	S	.	.			trans	-52.6	150.2	-178.2	0	0	0	0	0	111.8	D292 T310 D311 R313	D292-A308 WeakPolarHBondContact OD2-CA 3.39Å; D292-A308 WeakPolarHBondContact OD2-CB 2.98Å; A308-T310 PolarHBondContact O-N 3.5Å; A308-D311 HydrophobicContact CB-CB 4.42Å; A308-D311 PolarHBondContact N-OD2 3Å; A308-D311 WeakPolarHBondContact O-CB 3.21Å; A308-D311 PolarHBondContact O-N 2.87Å; A308-R313 PolarHBondContact O-NH2 3.42Å
309	N	71.5	Confident	85.8	Confident	42 Å²	42	72 Å²	72	23%	0.225	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.8	177.3	-76.1	-38.7	0	0	0	112.3	D292	D292-N309 WeakPolarHBondContact OD1-CB 3.47Å; D292-N309 PolarHBondContact OD1-N 3.03Å; D292-N309 PolarHBondContact OD1-ND2 3.2Å; D292-N309 PolarHBondContact OD2-N 2.88Å
310	T	72.4	Confident	86	Confident	75 Å²	75	69.5 Å²	69.5	46%	0.46	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.7	172	51.6	0	0	0	0	114.2	L288 A308	L288-T310 HydrophobicContact CB-CG2 4.05Å; L288-T310 HydrophobicContact CD1-CG2 3.37Å; L288-T310 HydrophobicContact CG-CG2 4.36Å; A308-T310 PolarHBondContact O-N 3.5Å
311	D	80.2	Confident	86	Confident	62 Å²	62	70.1 Å²	70.1	33%	0.332	35%	0.35	S	S	.	.	S	Bend	trans	-80.4	132.3	-173.4	-68.5	-13.5	0	0	0	110.3	I307 A308 R313 H322	I307-D311 HydrophobicContact CG2-CB 3.9Å; A308-D311 HydrophobicContact CB-CB 4.42Å; A308-D311 PolarHBondContact N-OD2 3Å; A308-D311 WeakPolarHBondContact O-CB 3.21Å; A308-D311 PolarHBondContact O-N 2.87Å; D311-R313 PolarHBondContact O-N 3.05Å; D311-H322 IonicContact OD2-CD2 3.44Å; D311-H322 IonicContact OD2-NE2 2.73Å
312	P	83.3	Confident	86	Confident	84 Å²	84	69.9 Å²	69.9	55%	0.545	34%	0.344	S	S	.	.			trans	-61.9	135.6	171.6	25.8	-31.3	0	0	0	109.3	A323	P312-A323 HydrophobicContact CB-CB 4.01Å; P312-A323 WeakPolarHBondContact O-CB 3.48Å; P312-A323 PolarHBondContact O-N 3Å
313	R	89.3	Confident	86.1	Confident	40 Å²	40	67.8 Å²	67.8	15%	0.151	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.2	-173.6	75.8	-177.2	64	-136.8	-5.4	112	S18 I307 A308 D311 W321	S18-R313 PolarHBondContact OG-O 3.06Å; I307-R313 HydrophobicContact CG2-CB 3.99Å; I307-R313 PolarHBondContact O-NH2 2.85Å; A308-R313 PolarHBondContact O-NH2 3.42Å; D311-R313 PolarHBondContact O-N 3.05Å; R313-W321 CarbonylContact C-O 3.52Å; R313-W321 VanDerWaalsContact CA-O 3.24Å; R313-W321 WeakPolarHBondContact CA-O 3.4Å; R313-W321 WeakPolarHBondContact CB-O 3.44Å
314	M	90.3	Very high	86	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.8	167.5	-58.7	-59.3	-67.2	0	0	107.6	C15 L17 Q320 W321 A323 F328 L338	C15-M314 HydrophobicContact CB-CE 3.4Å; C15-M314 VanDerWaalsContact CB-CE 3.4Å; C15-M314 WeakPolarHBondContact SG-CE 3.26Å; L17-M314 HydrophobicContact CD2-SD 4.35Å; M314-Q320 CarbonylContact O-C 3.58Å; M314-Q320 VanDerWaalsContact O-CA 3.31Å; M314-Q320 WeakPolarHBondContact O-CA 3.36Å; M314-W321 HydrophobicContact CB-CB 4.43Å; M314-W321 PolarHBondContact N-O 2.95Å; M314-W321 PolarHBondContact O-N 2.69Å; M314-A323 HydrophobicContact CG-CB 3.88Å; M314-A323 HydrophobicContact SD-CB 4.02Å; M314-F328 HydrophobicContact CB-CD2 3.52Å; M314-F328 HydrophobicContact CB-CE1 4.49Å; M314-F328 HydrophobicContact CB-CE2 3.48Å; M314-F328 VanDerWaalsContact CB-CE2 3.48Å; M314-F328 HydrophobicContact CB-CG 4.04Å; M314-F328 HydrophobicContact CB-CZ 4.01Å; M314-F328 HydrophobicContact CE-CD1 4.25Å; M314-F328 HydrophobicContact CE-CE1 3.81Å; M314-F328 HydrophobicContact CE-CZ 3.98Å; M314-F328 HydrophobicContact CG-CB 4.21Å; M314-F328 HydrophobicContact CG-CD1 3.95Å; M314-F328 HydrophobicContact CG-CD2 3.72Å; M314-F328 HydrophobicContact CG-CE1 4.23Å; M314-F328 HydrophobicContact CG-CE2 4Å; M314-F328 HydrophobicContact CG-CG 3.68Å; M314-F328 HydrophobicContact CG-CZ 4.25Å; M314-L338 HydrophobicContact CE-CD2 4.35Å; M314-L338 HydrophobicContact CG-CD2 3.71Å; M314-L338 HydrophobicContact SD-CD2 3.69Å
315	T	88.2	Confident	86.1	Confident	50 Å²	50	66.4 Å²	66.4	31%	0.307	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.4	179.1	-53	0	0	0	0	108.7	H319 Q320	T315-H319 WeakPolarHBondContact CA-O 3.33Å; T315-Q320 HydrophobicContact CG2-CG 4.12Å
316	Y	87.5	Confident	86.3	Confident	63 Å²	63	68.9 Å²	68.9	25%	0.247	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	115.9	171.6	-174.1	-91.9	0	0	0	108.8	S11 R318 H319 F342 C344	S11-Y316 PolarHBondContact OG-OH 3.03Å; Y316-R318 PolarHBondContact O-N 3.38Å; Y316-H319 PolarHBondContact N-O 3.16Å; Y316-H319 PolarHBondContact O-N 2.97Å; Y316-F342 AromaticContact CD2-CE2 3.94Å; Y316-F342 HydrophobicContact CD2-CE2 3.94Å; Y316-F342 AromaticContact CD2-CZ 3.73Å; Y316-F342 HydrophobicContact CD2-CZ 3.73Å; Y316-F342 HydrophobicContact CE2-CE2 4.29Å; Y316-F342 HydrophobicContact CE2-CZ 4.23Å; Y316-F342 HydrophobicContact CG-CE2 4.11Å; Y316-F342 HydrophobicContact CG-CZ 4.24Å; Y316-C344 HydrophobicContact CD1-CB 3.56Å; Y316-C344 HydrophobicContact CE1-CB 3.39Å; Y316-C344 HydrophobicContact CG-CB 4.42Å
317	G	84.8	Confident	86.7	Confident	64 Å²	64	62.6 Å²	62.6	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-124.1	-168.7	0	0	0	0	0	111.1
318	R	82.2	Confident	87.3	Confident	204 Å²	204	62.7 Å²	62.7	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.7	178.6	-53.7	-171.6	-171.4	-168.3	5.3	113.7	Y316	Y316-R318 PolarHBondContact O-N 3.38Å
319	H	88	Confident	88.2	Confident	103 Å²	103	62.8 Å²	62.8	48%	0.477	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.6	-175.9	-63.9	-66.6	0	0	0	111.1	T315 Y316 W321	T315-H319 WeakPolarHBondContact CA-O 3.33Å; Y316-H319 PolarHBondContact N-O 3.16Å; Y316-H319 PolarHBondContact O-N 2.97Å; H319-W321 HydrophobicContact CB-CE3 4.4Å; H319-W321 HydrophobicContact CB-CH2 3.24Å; H319-W321 HydrophobicContact CB-CZ2 3.85Å; H319-W321 HydrophobicContact CB-CZ3 3.56Å; H319-W321 WeakPolarHBondContact O-CZ3 3.3Å
320	Q	90.7	Very high	89.3	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.065	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	179.8	-58.2	-166.8	-4.7	0	0	110.4	H298 C300 A301 I307 M314 T315	H298-Q320 HydrophobicContact CB-CB 4.3Å; H298-Q320 HydrophobicContact CB-CG 4.19Å; H298-Q320 VanDerWaalsContact CB-OE1 3.29Å; H298-Q320 PolarHBondContact CD2-NE2 3.13Å; H298-Q320 PolarHBondContact CD2-OE1 3.32Å; C300-Q320 CarbonylContact C-O 3.5Å; C300-Q320 VanDerWaalsContact CA-O 3.31Å; C300-Q320 WeakPolarHBondContact CA-O 3.34Å; A301-Q320 PolarHBondContact N-O 3.06Å; I307-Q320 HydrophobicContact CD1-CB 3.8Å; M314-Q320 CarbonylContact O-C 3.58Å; M314-Q320 VanDerWaalsContact O-CA 3.31Å; M314-Q320 WeakPolarHBondContact O-CA 3.36Å; T315-Q320 HydrophobicContact CG2-CG 4.12Å
321	W	92.5	Very high	90.3	Very high	12 Å²	12	62.9 Å²	62.9	5%	0.045	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.6	177.3	-62.2	-100.5	0	0	0	110.2	A301 T302 I307 R313 M314 H319 A323 C327 F328 L349	A301-W321 HydrophobicContact CB-CD2 4.34Å; A301-W321 HydrophobicContact CB-CZ2 3.98Å; T302-W321 PolarHBondContact OG1-NE1 2.85Å; I307-W321 VanDerWaalsContact CD1-C 3.45Å; R313-W321 CarbonylContact C-O 3.52Å; R313-W321 VanDerWaalsContact CA-O 3.24Å; R313-W321 WeakPolarHBondContact CA-O 3.4Å; R313-W321 WeakPolarHBondContact CB-O 3.44Å; M314-W321 HydrophobicContact CB-CB 4.43Å; M314-W321 PolarHBondContact N-O 2.95Å; M314-W321 PolarHBondContact O-N 2.69Å; H319-W321 HydrophobicContact CB-CE3 4.4Å; H319-W321 HydrophobicContact CB-CH2 3.24Å; H319-W321 HydrophobicContact CB-CZ2 3.85Å; H319-W321 HydrophobicContact CB-CZ3 3.56Å; H319-W321 WeakPolarHBondContact O-CZ3 3.3Å; W321-A323 PolarHBondContact O-N 2.62Å; W321-C327 VanDerWaalsContact CD1-O 3.3Å; W321-F328 HydrophobicContact CB-CB 4.5Å; W321-F328 HydrophobicContact CB-CD2 3.73Å; W321-F328 AromaticContact CD2-CD2 3.88Å; W321-F328 HydrophobicContact CD2-CD2 3.88Å; W321-F328 AromaticContact CD2-CE2 3.97Å; W321-F328 HydrophobicContact CD2-CE2 3.97Å; W321-F328 HydrophobicContact CE3-CD2 4.08Å; W321-F328 AromaticContact CE3-CE2 3.76Å; W321-F328 HydrophobicContact CE3-CE2 3.76Å; W321-F328 AromaticContact CG-CD2 3.75Å; W321-F328 HydrophobicContact CG-CD2 3.75Å; W321-F328 HydrophobicContact CG-CE2 4.33Å; W321-F328 HydrophobicContact CZ3-CE2 4.27Å; W321-L349 HydrophobicContact CD2-CD1 4.2Å; W321-L349 HydrophobicContact CH2-CD1 4.42Å; W321-L349 HydrophobicContact CH2-CD2 3.9Å; W321-L349 HydrophobicContact CH2-CG 4.39Å; W321-L349 HydrophobicContact CZ2-CD1 3.86Å; W321-L349 HydrophobicContact CZ2-CD2 3.83Å; W321-L349 HydrophobicContact CZ2-CG 3.83Å
322	H	92.2	Very high	90.9	Very high	26 Å²	26	62.6 Å²	62.6	12%	0.12	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	131.9	161.7	-62.2	100.6	0	0	0	108.8	C300 K306 D311 S324 C327	C300-H322 WeakPolarHBondContact CB-ND1 3.27Å; C300-H322 PolarHBondContact SG-ND1 2.98Å; K306-H322 PolarHBondContact O-NE2 3.37Å; D311-H322 IonicContact OD2-CD2 3.44Å; D311-H322 IonicContact OD2-NE2 2.73Å; H322-S324 PolarHBondContact O-N 2.62Å; H322-C327 HydrophobicContact CB-CB 3.89Å; H322-C327 WeakPolarHBondContact O-CB 3.42Å
323	A	93.6	Very high	91.4	Very high	20 Å²	20	61.1 Å²	61.1	17%	0.165	31%	0.305	C	S	.	.	S	Bend	trans	-73.6	68.8	173.2	0	0	0	0	0	110.1	L17 P312 M314 W321 L338	L17-A323 HydrophobicContact CD2-CB 4.27Å; P312-A323 HydrophobicContact CB-CB 4.01Å; P312-A323 WeakPolarHBondContact O-CB 3.48Å; P312-A323 PolarHBondContact O-N 3Å; M314-A323 HydrophobicContact CG-CB 3.88Å; M314-A323 HydrophobicContact SD-CB 4.02Å; W321-A323 PolarHBondContact O-N 2.62Å; A323-L338 HydrophobicContact CB-CD2 4.09Å
324	S	92.4	Very high	91.6	Very high	39 Å²	39	61.3 Å²	61.3	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-139.2	152.6	-175.5	77.1	0	0	0	0	110.9	H322 R326 C327 F328	H322-S324 PolarHBondContact O-N 2.62Å; S324-R326 PolarHBondContact O-N 3.48Å; S324-R326 PolarHBondContact OG-N 3.17Å; S324-C327 PolarHBondContact O-N 3.38Å; S324-C327 VanDerWaalsContact O-N 3.12Å; S324-C327 PolarHBondContact OG-N 2.8Å; S324-F328 PolarHBondContact O-N 2.95Å
325	K	92.7	Very high	91.8	Very high	168 Å²	168	64.7 Å²	64.7	73%	0.73	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.6	176.5	-59.2	-170.4	175.4	-175.5	0	114.8	V329 C336	K325-V329 WeakPolarHBondContact O-CG1 3.49Å; K325-C336 HydrophobicContact CB-CB 4.28Å; K325-C336 HydrophobicContact CG-CB 4.28Å
326	R	94.6	Very high	92.1	Very high	219 Å²	219	64.4 Å²	64.4	83%	0.826	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-19.9	179.1	-65.6	-173.4	176.6	-158.5	-0	113.5	S324	S324-R326 PolarHBondContact O-N 3.48Å; S324-R326 PolarHBondContact OG-N 3.17Å
327	C	95.3	Very high	92.4	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.027	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-38.2	-173.6	-64.2	0	0	0	0	111.9	T302 W321 H322 S324 V329	T302-C327 VanDerWaalsContact CB-O 3.24Å; T302-C327 WeakPolarHBondContact CB-O 3.34Å; T302-C327 PolarHBondContact OG1-O 3.49Å; W321-C327 VanDerWaalsContact CD1-O 3.3Å; H322-C327 HydrophobicContact CB-CB 3.89Å; H322-C327 WeakPolarHBondContact O-CB 3.42Å; S324-C327 PolarHBondContact O-N 3.38Å; S324-C327 VanDerWaalsContact O-N 3.12Å; S324-C327 PolarHBondContact OG-N 2.8Å; C327-V329 PolarHBondContact O-N 3.09Å
328	F	95.9	Very high	92.8	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	31%	0.313	C	S	.	.	S	Bend	trans	-97.4	75.6	178.5	-155.9	-107	0	0	0	109.6	M314 W321 S324 L337 L338 F342 L349	M314-F328 HydrophobicContact CB-CD2 3.52Å; M314-F328 HydrophobicContact CB-CE1 4.49Å; M314-F328 HydrophobicContact CB-CE2 3.48Å; M314-F328 VanDerWaalsContact CB-CE2 3.48Å; M314-F328 HydrophobicContact CB-CG 4.04Å; M314-F328 HydrophobicContact CB-CZ 4.01Å; M314-F328 HydrophobicContact CE-CD1 4.25Å; M314-F328 HydrophobicContact CE-CE1 3.81Å; M314-F328 HydrophobicContact CE-CZ 3.98Å; M314-F328 HydrophobicContact CG-CB 4.21Å; M314-F328 HydrophobicContact CG-CD1 3.95Å; M314-F328 HydrophobicContact CG-CD2 3.72Å; M314-F328 HydrophobicContact CG-CE1 4.23Å; M314-F328 HydrophobicContact CG-CE2 4Å; M314-F328 HydrophobicContact CG-CG 3.68Å; M314-F328 HydrophobicContact CG-CZ 4.25Å; W321-F328 HydrophobicContact CB-CB 4.5Å; W321-F328 HydrophobicContact CB-CD2 3.73Å; W321-F328 AromaticContact CD2-CD2 3.88Å; W321-F328 HydrophobicContact CD2-CD2 3.88Å; W321-F328 AromaticContact CD2-CE2 3.97Å; W321-F328 HydrophobicContact CD2-CE2 3.97Å; W321-F328 HydrophobicContact CE3-CD2 4.08Å; W321-F328 AromaticContact CE3-CE2 3.76Å; W321-F328 HydrophobicContact CE3-CE2 3.76Å; W321-F328 AromaticContact CG-CD2 3.75Å; W321-F328 HydrophobicContact CG-CD2 3.75Å; W321-F328 HydrophobicContact CG-CE2 4.33Å; W321-F328 HydrophobicContact CZ3-CE2 4.27Å; S324-F328 PolarHBondContact O-N 2.95Å; F328-L337 HydrophobicContact CD1-CB 3.72Å; F328-L337 HydrophobicContact CE1-CB 3.81Å; F328-L337 PolarHBondContact O-N 3.08Å; F328-L338 HydrophobicContact CB-CD2 4.03Å; F328-L338 HydrophobicContact CB-CG 4.37Å; F328-L338 HydrophobicContact CD1-CD2 3.9Å; F328-L338 HydrophobicContact CD1-CG 4.36Å; F328-L338 HydrophobicContact CG-CD2 4.23Å; F328-F342 HydrophobicContact CE1-CD1 4.45Å; F328-F342 HydrophobicContact CZ-CD1 4.38Å; F328-F342 HydrophobicContact CZ-CE1 4.17Å; F328-F342 HydrophobicContact CZ-CE2 4.39Å; F328-F342 HydrophobicContact CZ-CZ 4.13Å; F328-L349 HydrophobicContact CD2-CD1 3.57Å; F328-L349 HydrophobicContact CE2-CD1 3.42Å; F328-L349 VanDerWaalsContact CE2-CD1 3.42Å; F328-L349 HydrophobicContact CG-CD1 4.27Å; F328-L349 HydrophobicContact CZ-CD1 3.99Å
329	V	95.1	Very high	93	Very high	25 Å²	25	55.5 Å²	55.5	15%	0.152	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-132.9	153.4	-170.4	-63.4	0	0	0	0	111	K325 C327 H331 T335	K325-V329 WeakPolarHBondContact O-CG1 3.49Å; C327-V329 PolarHBondContact O-N 3.09Å; V329-H331 PolarHBondContact O-N 2.87Å; V329-T335 CarbonylContact C-O 3.5Å; V329-T335 VanDerWaalsContact CA-O 3.24Å; V329-T335 WeakPolarHBondContact CA-O 3.48Å
330	C	94.5	Very high	92.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	31%	0.308	C	S	.	.			trans	-60.7	132.3	169.5	179.9	0	0	0	0	110	C333 G334 T335 L337 L349 C351	C330-C333 VanDerWaalsContact CB-SG 3.56Å; C330-G334 WeakPolarHBondContact O-CA 3.34Å; C330-G334 PolarHBondContact O-N 3.23Å; C330-T335 PolarHBondContact N-O 2.92Å; C330-L337 HydrophobicContact CB-CD1 4.45Å; C330-L337 HydrophobicContact CB-CD2 4.26Å; C330-L337 HydrophobicContact CB-CG 4.49Å; C330-L349 CarbonylContact C-O 3.44Å; C330-L349 VanDerWaalsContact CA-O 3.28Å; C330-L349 WeakPolarHBondContact CA-O 3.39Å; C330-C351 HydrophobicContact CB-CB 4.11Å; C330-C351 PolarHBondContact SG-N 2.82Å
331	H	93.2	Very high	92.8	Very high	119 Å²	119	55 Å²	55	55%	0.551	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-41.2	179.4	-173	84.8	0	0	0	111.5	V329 L349 Y350	V329-H331 PolarHBondContact O-N 2.87Å; H331-L349 WeakPolarHBondContact CB-O 3.45Å; H331-L349 PolarHBondContact N-O 2.99Å; H331-Y350 HydrophobicContact CB-CE1 4.23Å
332	A	92.6	Very high	92.8	Very high	56 Å²	56	54.4 Å²	54.4	46%	0.463	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-47.5	-177.5	0	0	0	0	0	113.8	Y350 C355	A332-Y350 HydrophobicContact CB-CD1 4.13Å; A332-Y350 HydrophobicContact CB-CE1 3.93Å; A332-C355 HydrophobicContact CB-CB 3.91Å
333	C	94.4	Very high	92.7	Very high	53 Å²	53	53.9 Å²	53.9	36%	0.358	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-8.6	-173.2	70.5	0	0	0	0	115	C330 T335 C351	C330-C333 VanDerWaalsContact CB-SG 3.56Å; C333-T335 PolarHBondContact O-N 3.37Å; C333-T335 PolarHBondContact SG-OG1 3.01Å; C333-C351 VanDerWaalsContact SG-SG 3.62Å
334	G	93.2	Very high	92.5	Very high	44 Å²	44	54 Å²	54	45%	0.454	33%	0.325	S	S	.	.			trans	74.5	1.3	-179.5	0	0	0	0	0	115.3	C330 C336	C330-G334 WeakPolarHBondContact O-CA 3.34Å; C330-G334 PolarHBondContact O-N 3.23Å; G334-C336 PolarHBondContact O-N 3.37Å
335	T	94.1	Very high	92.3	Very high	73 Å²	73	54 Å²	54	45%	0.448	32%	0.321	S	S	.	.			trans	-62.3	135.6	178.6	-62.4	0	0	0	0	111.1	V329 C330 C333 L337	V329-T335 CarbonylContact C-O 3.5Å; V329-T335 VanDerWaalsContact CA-O 3.24Å; V329-T335 WeakPolarHBondContact CA-O 3.48Å; C330-T335 PolarHBondContact N-O 2.92Å; C333-T335 PolarHBondContact O-N 3.37Å; C333-T335 PolarHBondContact SG-OG1 3.01Å; T335-L337 PolarHBondContact O-N 2.93Å
336	C	94.1	Very high	91.8	Very high	44 Å²	44	52.2 Å²	52.2	30%	0.297	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-62.7	129.2	175.4	173.7	0	0	0	0	111.3	K325 G334	K325-C336 HydrophobicContact CB-CB 4.28Å; K325-C336 HydrophobicContact CG-CB 4.28Å; G334-C336 PolarHBondContact O-N 3.37Å
337	L	94.1	Very high	91.5	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	31%	0.31	C	S	.	.			trans	-99.9	1	-177.4	-61.1	174.5	0	0	0	113.4	F328 C330 T335 G339 G340 F342 L349 C351	F328-L337 HydrophobicContact CD1-CB 3.72Å; F328-L337 HydrophobicContact CE1-CB 3.81Å; F328-L337 PolarHBondContact O-N 3.08Å; C330-L337 HydrophobicContact CB-CD1 4.45Å; C330-L337 HydrophobicContact CB-CD2 4.26Å; C330-L337 HydrophobicContact CB-CG 4.49Å; T335-L337 PolarHBondContact O-N 2.93Å; L337-G339 PolarHBondContact O-N 3.01Å; L337-G340 PolarHBondContact O-N 3.4Å; L337-F342 HydrophobicContact CD1-CB 3.92Å; L337-F342 HydrophobicContact CD2-CB 4.33Å; L337-L349 HydrophobicContact CD1-CB 3.49Å; L337-L349 VanDerWaalsContact CD1-CB 3.49Å; L337-L349 HydrophobicContact CD1-CD1 4.17Å; L337-L349 HydrophobicContact CD1-CG 4.44Å; L337-C351 HydrophobicContact CD2-CB 3.63Å
338	L	92.6	Very high	91.2	Very high	60 Å²	60	46.7 Å²	46.7	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	122.5	178.4	-66.5	173.5	0	0	0	111	M314 A323 F328 G340	M314-L338 HydrophobicContact CE-CD2 4.35Å; M314-L338 HydrophobicContact CG-CD2 3.71Å; M314-L338 HydrophobicContact SD-CD2 3.69Å; A323-L338 HydrophobicContact CB-CD2 4.09Å; F328-L338 HydrophobicContact CB-CD2 4.03Å; F328-L338 HydrophobicContact CB-CG 4.37Å; F328-L338 HydrophobicContact CD1-CD2 3.9Å; F328-L338 HydrophobicContact CD1-CG 4.36Å; F328-L338 HydrophobicContact CG-CD2 4.23Å; L338-G340 PolarHBondContact O-N 2.89Å
339	G	86.3	Confident	91.1	Very high	79 Å²	79	46.9 Å²	46.9	81%	0.814	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	1.1	-178.8	0	0	0	0	0	114.8	L337	L337-G339 PolarHBondContact O-N 3.01Å
340	G	86.3	Confident	91	Very high	31 Å²	31	46.4 Å²	46.4	32%	0.32	31%	0.313	S	S	.	.	S	Bend	trans	-102	167.1	175.9	0	0	0	0	0	112.6	L337 L338	L337-G340 PolarHBondContact O-N 3.4Å; L338-G340 PolarHBondContact O-N 2.89Å
341	S	89.7	Confident	90.9	Very high	75 Å²	75	46.6 Å²	46.6	52%	0.524	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	146.9	167.6	-51.9	0	0	0	0	110.1
342	F	91.6	Very high	90.8	Very high	0 Å²	0	43 Å²	43	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.3	179.9	62.9	-78.5	0	0	0	111	G13 C15 Y316 F328 L337 C344 L349 Y350	G13-F342 PolarHBondContact N-O 3.3Å; G13-F342 PolarHBondContact O-N 3.37Å; G13-F342 VanDerWaalsContact O-N 3.14Å; C15-F342 HydrophobicContact CB-CE1 3.55Å; C15-F342 HydrophobicContact CB-CZ 3.99Å; C15-F342 WeakPolarHBondContact SG-CE1 3.27Å; Y316-F342 AromaticContact CD2-CE2 3.94Å; Y316-F342 HydrophobicContact CD2-CE2 3.94Å; Y316-F342 AromaticContact CD2-CZ 3.73Å; Y316-F342 HydrophobicContact CD2-CZ 3.73Å; Y316-F342 HydrophobicContact CE2-CE2 4.29Å; Y316-F342 HydrophobicContact CE2-CZ 4.23Å; Y316-F342 HydrophobicContact CG-CE2 4.11Å; Y316-F342 HydrophobicContact CG-CZ 4.24Å; F328-F342 HydrophobicContact CE1-CD1 4.45Å; F328-F342 HydrophobicContact CZ-CD1 4.38Å; F328-F342 HydrophobicContact CZ-CE1 4.17Å; F328-F342 HydrophobicContact CZ-CE2 4.39Å; F328-F342 HydrophobicContact CZ-CZ 4.13Å; L337-F342 HydrophobicContact CD1-CB 3.92Å; L337-F342 HydrophobicContact CD2-CB 4.33Å; F342-C344 HydrophobicContact CD2-CB 4.4Å; F342-C344 HydrophobicContact CE2-CB 4.19Å; F342-L349 HydrophobicContact CD2-CD2 3.67Å; F342-L349 HydrophobicContact CE2-CD2 3.85Å; F342-Y350 CarbonylContact C-O 3.55Å; F342-Y350 VanDerWaalsContact CA-O 3.26Å; F342-Y350 WeakPolarHBondContact CA-O 3.47Å; F342-Y350 WeakPolarHBondContact CB-O 3.36Å
343	L	90.6	Very high	90.4	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.6	164.6	-163	76.7	0	0	0	108.3	E345 L349 Y350 L356 V359	L343-E345 HydrophobicContact CD2-CG 3.78Å; L343-E345 WeakPolarHBondContact CD2-OE1 3.44Å; L343-E345 HydrophobicContact CG-CG 4.22Å; L343-L349 CarbonylContact O-C 3.46Å; L343-L349 WeakPolarHBondContact O-CA 3.18Å; L343-Y350 PolarHBondContact N-O 2.88Å; L343-Y350 PolarHBondContact O-N 2.86Å; L343-L356 HydrophobicContact CB-CD1 4Å; L343-L356 HydrophobicContact CD2-CD1 4.21Å; L343-V359 HydrophobicContact CD2-CG2 4.33Å
344	C	89.2	Confident	90	Very high	24 Å²	24	52.2 Å²	52.2	16%	0.162	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.2	173.9	-170.4	0	0	0	0	108.7	Y316 F342 L349	Y316-C344 HydrophobicContact CD1-CB 3.56Å; Y316-C344 HydrophobicContact CE1-CB 3.39Å; Y316-C344 HydrophobicContact CG-CB 4.42Å; F342-C344 HydrophobicContact CD2-CB 4.4Å; F342-C344 HydrophobicContact CE2-CB 4.19Å; C344-L349 HydrophobicContact CB-CD2 3.89Å
345	E	87.9	Confident	89.9	Confident	38 Å²	38	50.5 Å²	50.5	18%	0.178	32%	0.316	C	S	.	.			trans	-113.2	166	178.3	-71.6	-67.3	146.4	0	0	109.8	S10 L343 D347 G348 Y350 V359	S10-E345 WeakPolarHBondContact CB-OE1 3.49Å; S10-E345 PolarHBondContact OG-OE1 3.08Å; L343-E345 HydrophobicContact CD2-CG 3.78Å; L343-E345 WeakPolarHBondContact CD2-OE1 3.44Å; L343-E345 HydrophobicContact CG-CG 4.22Å; E345-D347 WeakPolarHBondContact CB-OD1 3.37Å; E345-D347 PolarHBondContact O-N 2.75Å; E345-D347 VanDerWaalsContact O-N 3.17Å; E345-G348 PolarHBondContact N-O 2.86Å; E345-G348 PolarHBondContact O-N 3.49Å; E345-Y350 HydrophobicContact CB-CD2 4.21Å; E345-Y350 HydrophobicContact CB-CE2 4.02Å; E345-Y350 HydrophobicContact CG-CD2 4.25Å; E345-Y350 HydrophobicContact CG-CE2 4.39Å; E345-V359 HydrophobicContact CG-CG1 3.81Å
346	P	83.5	Confident	89.3	Confident	131 Å²	131	50.4 Å²	50.4	85%	0.851	31%	0.312	S	S	*	.	S	Bend	trans	-57	-30.1	-177.3	-26.1	35	0	0	0	114.6
347	D	87.2	Confident	88.5	Confident	90 Å²	90	52.1 Å²	52.1	48%	0.481	34%	0.337	S	S	.	.	S	Bend	trans	-92.1	-21.7	-177.9	60	-31	0	0	0	113.5	E345 Y350	E345-D347 WeakPolarHBondContact CB-OD1 3.37Å; E345-D347 PolarHBondContact O-N 2.75Å; E345-D347 VanDerWaalsContact O-N 3.17Å; D347-Y350 PolarHBondContact OD2-OH 2.8Å
348	G	89.8	Confident	87.5	Confident	17 Å²	17	56 Å²	56	18%	0.175	36%	0.361	C	S	.	.			trans	168.7	-174.7	175.2	0	0	0	0	0	116.4	E345	E345-G348 PolarHBondContact N-O 2.86Å; E345-G348 PolarHBondContact O-N 3.49Å
349	L	93.1	Very high	86.3	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.7	173.8	-58.8	171.3	0	0	0	109.7	W321 F328 C330 H331 L337 F342 L343 C344	W321-L349 HydrophobicContact CD2-CD1 4.2Å; W321-L349 HydrophobicContact CH2-CD1 4.42Å; W321-L349 HydrophobicContact CH2-CD2 3.9Å; W321-L349 HydrophobicContact CH2-CG 4.39Å; W321-L349 HydrophobicContact CZ2-CD1 3.86Å; W321-L349 HydrophobicContact CZ2-CD2 3.83Å; W321-L349 HydrophobicContact CZ2-CG 3.83Å; F328-L349 HydrophobicContact CD2-CD1 3.57Å; F328-L349 HydrophobicContact CE2-CD1 3.42Å; F328-L349 VanDerWaalsContact CE2-CD1 3.42Å; F328-L349 HydrophobicContact CG-CD1 4.27Å; F328-L349 HydrophobicContact CZ-CD1 3.99Å; C330-L349 CarbonylContact C-O 3.44Å; C330-L349 VanDerWaalsContact CA-O 3.28Å; C330-L349 WeakPolarHBondContact CA-O 3.39Å; H331-L349 WeakPolarHBondContact CB-O 3.45Å; H331-L349 PolarHBondContact N-O 2.99Å; L337-L349 HydrophobicContact CD1-CB 3.49Å; L337-L349 VanDerWaalsContact CD1-CB 3.49Å; L337-L349 HydrophobicContact CD1-CD1 4.17Å; L337-L349 HydrophobicContact CD1-CG 4.44Å; F342-L349 HydrophobicContact CD2-CD2 3.67Å; F342-L349 HydrophobicContact CE2-CD2 3.85Å; L343-L349 CarbonylContact O-C 3.46Å; L343-L349 WeakPolarHBondContact O-CA 3.18Å; C344-L349 HydrophobicContact CB-CD2 3.89Å
350	Y	93.4	Very high	85.2	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.2	179	-68.6	-89.6	0	0	0	111.4	H331 A332 F342 L343 E345 D347 C355 V359	H331-Y350 HydrophobicContact CB-CE1 4.23Å; A332-Y350 HydrophobicContact CB-CD1 4.13Å; A332-Y350 HydrophobicContact CB-CE1 3.93Å; F342-Y350 CarbonylContact C-O 3.55Å; F342-Y350 VanDerWaalsContact CA-O 3.26Å; F342-Y350 WeakPolarHBondContact CA-O 3.47Å; F342-Y350 WeakPolarHBondContact CB-O 3.36Å; L343-Y350 PolarHBondContact N-O 2.88Å; L343-Y350 PolarHBondContact O-N 2.86Å; E345-Y350 HydrophobicContact CB-CD2 4.21Å; E345-Y350 HydrophobicContact CB-CE2 4.02Å; E345-Y350 HydrophobicContact CG-CD2 4.25Å; E345-Y350 HydrophobicContact CG-CE2 4.39Å; D347-Y350 PolarHBondContact OD2-OH 2.8Å; Y350-C355 HydrophobicContact CD1-CB 4.11Å; Y350-V359 HydrophobicContact CD1-CG2 3.78Å; Y350-V359 HydrophobicContact CD2-CG2 3.73Å; Y350-V359 HydrophobicContact CE1-CG2 4.03Å; Y350-V359 HydrophobicContact CE2-CG2 3.98Å; Y350-V359 HydrophobicContact CG-CG2 3.62Å
351	C	93.1	Very high	83.7	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.034	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.4	171.8	65.7	0	0	0	0	110.2	C330 C333 L337 D353 C355 L356	C330-C351 HydrophobicContact CB-CB 4.11Å; C330-C351 PolarHBondContact SG-N 2.82Å; C333-C351 VanDerWaalsContact SG-SG 3.62Å; L337-C351 HydrophobicContact CD2-CB 3.63Å; C351-D353 VanDerWaalsContact C-N 3.29Å; C351-D353 PolarHBondContact O-N 2.92Å; C351-C355 PolarHBondContact O-N 3.25Å; C351-L356 PolarHBondContact O-N 3.05Å
352	V	89.3	Confident	81.6	Confident	44 Å²	44	69.2 Å²	69.2	27%	0.267	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.9	179.5	-172.6	0	0	0	0	111.2	L12 L356	L12-V352 HydrophobicContact CD2-CG1 4.17Å; L12-V352 HydrophobicContact CD2-CG2 3.7Å; V352-L356 HydrophobicContact CB-CD1 4.36Å; V352-L356 HydrophobicContact CG1-CD1 4.19Å; V352-L356 HydrophobicContact CG1-CD2 4.47Å; V352-L356 HydrophobicContact CG2-CD1 4.27Å
353	D	84.9	Confident	79.1	Confident	155 Å²	155	76.2 Å²	76.2	83%	0.829	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-36	-171.2	-60.6	-38.7	0	0	0	114.4	C351	C351-D353 VanDerWaalsContact C-N 3.29Å; C351-D353 PolarHBondContact O-N 2.92Å
354	Q	86.6	Confident	76.9	Confident	147 Å²	147	84 Å²	84	69%	0.687	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-30.7	-170.4	-72.7	176.6	2.3	0	0	114.4
355	C	90.4	Very high	74.3	Confident	9 Å²	9	89.8 Å²	89.8	6%	0.061	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	2.3	-167.7	-59.8	0	0	0	0	113.4	A332 Y350 C351 G357 T358	A332-C355 HydrophobicContact CB-CB 3.91Å; Y350-C355 HydrophobicContact CD1-CB 4.11Å; C351-C355 PolarHBondContact O-N 3.25Å; C355-G357 PolarHBondContact O-N 3.32Å; C355-T358 PolarHBondContact O-N 3.3Å; C355-T358 VanDerWaalsContact O-N 3.07Å; C355-T358 PolarHBondContact O-OG1 2.8Å
356	L	81.2	Confident	71.6	Confident	71 Å²	71	96.6 Å²	96.6	37%	0.372	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-59.3	-36.4	178.7	-155.3	88.4	0	0	0	111.9	L12 L343 C351 V352 T358	L12-L356 HydrophobicContact CD2-CD1 4.47Å; L343-L356 HydrophobicContact CB-CD1 4Å; L343-L356 HydrophobicContact CD2-CD1 4.21Å; C351-L356 PolarHBondContact O-N 3.05Å; V352-L356 HydrophobicContact CB-CD1 4.36Å; V352-L356 HydrophobicContact CG1-CD1 4.19Å; V352-L356 HydrophobicContact CG1-CD2 4.47Å; V352-L356 HydrophobicContact CG2-CD1 4.27Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 3.24Å
357	G	78.2	Confident	69.1	Low	79 Å²	79	97.6 Å²	97.6	81%	0.814	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-78.2	-8.2	178.7	0	0	0	0	0	115.1	C355	C355-G357 PolarHBondContact O-N 3.32Å
358	T	73	Confident	66.3	Low	87 Å²	87	100.6 Å²	100.6	53%	0.534	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-90.7	-6	177.5	59.6	0	0	0	0	112.9	C355 L356 E360	C355-T358 PolarHBondContact O-N 3.3Å; C355-T358 VanDerWaalsContact O-N 3.07Å; C355-T358 PolarHBondContact O-OG1 2.8Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 3.24Å; T358-E360 PolarHBondContact O-N 3.05Å
359	V	67.8	Low	63.2	Low	21 Å²	21	108 Å²	108	13%	0.127	57%	0.569	C	S	.	*	S	Bend	trans	-80.1	110	174.5	-176.6	0	0	0	0	107.5	L343 E345 Y350 R361	L343-V359 HydrophobicContact CD2-CG2 4.33Å; E345-V359 HydrophobicContact CG-CG1 3.81Å; Y350-V359 HydrophobicContact CD1-CG2 3.78Å; Y350-V359 HydrophobicContact CD2-CG2 3.73Å; Y350-V359 HydrophobicContact CE1-CG2 4.03Å; Y350-V359 HydrophobicContact CE2-CG2 3.98Å; Y350-V359 HydrophobicContact CG-CG2 3.62Å; V359-R361 PolarHBondContact O-N 3.21Å
360	E	62	Low	59.9	Low	185 Å²	185	113.5 Å²	113.5	86%	0.864	60%	0.602	S	S	*	*			trans	-63.3	107.7	173.1	-69.6	-173.2	166.4	0	0	108.2	T358	T358-E360 PolarHBondContact O-N 3.05Å
361	R	55.1	Low	56.6	Low	201 Å²	201	118.3 Å²	118.3	76%	0.758	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-72.5	130.9	169.4	-60	-178.7	82.4	-174.9	2.8	105.8	V359 D363	V359-R361 PolarHBondContact O-N 3.21Å; R361-D363 PolarHBondContact O-N 3.08Å
362	P	46.2	Very low	53.2	Low	116 Å²	116	126.8 Å²	126.8	75%	0.753	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-51.5	123	175.3	-20.5	29.7	0	0	0	108	D364	P362-D364 PolarHBondContact O-N 3.34Å
363	D	38.6	Very low	50.2	Low	148 Å²	148	137.2 Å²	137.2	79%	0.791	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-55.4	126.1	173.6	-85	-37.4	0	0	0	107.3	R361 N365	R361-D363 PolarHBondContact O-N 3.08Å; D363-N365 PolarHBondContact O-N 2.96Å
364	D	43.6	Very low	48.5	Very low	176 Å²	176	136.4 Å²	136.4	94%	0.941	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	28	177.4	-70.4	-46.4	0	0	0	112.8	P362	P362-D364 PolarHBondContact O-N 3.34Å
365	N	34.4	Very low	46.5	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	9.6	-171.7	-144.9	24.6	0	0	0	114.8	D363 N367	D363-N365 PolarHBondContact O-N 2.96Å; N365-N367 PolarHBondContact O-N 2.81Å
366	E	32.5	Very low	44	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	75%	0.751	S	S	*	*	S	Bend	trans	-77.6	105.1	158.9	-88	-171.2	139.3	0	0	109	I368	E366-I368 PolarHBondContact O-N 3.04Å
367	N	30	Very low	41.8	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	77%	0.773	S	S	*	*			trans	-35.2	115.9	162.1	-85.4	-46.7	0	0	0	109.5	N365 E369	N365-N367 PolarHBondContact O-N 2.81Å; N367-E369 PolarHBondContact O-N 2.97Å
368	I	28.3	Very low	39.6	Very low	153 Å²	153	151.3 Å²	151.3	79%	0.785	77%	0.77	S	S	*	*			trans	-58	92.3	163.8	-63.2	168.4	0	0	0	106.2	E366 V370	E366-I368 PolarHBondContact O-N 3.04Å; I368-V370 VanDerWaalsContact C-N 3.32Å; I368-V370 HydrophobicContact CG2-CG2 4.12Å; I368-V370 PolarHBondContact O-N 2.82Å
369	E	24.9	Very low	37.3	Very low	174 Å²	174	155.6 Å²	155.6	81%	0.813	79%	0.786	S	S	*	*			trans	-67.7	101.2	160.4	-100.7	-169.8	159.2	0	0	106.4	N367 C371	N367-E369 PolarHBondContact O-N 2.97Å; E369-C371 PolarHBondContact O-N 2.97Å
370	V	24.7	Very low	35.2	Very low	119 Å²	119	165.2 Å²	165.2	72%	0.721	83%	0.833	S	S	*	*			trans	-63.2	90.5	166.6	-177.9	0	0	0	0	107.2	I368 K372	I368-V370 VanDerWaalsContact C-N 3.32Å; I368-V370 HydrophobicContact CG2-CG2 4.12Å; I368-V370 PolarHBondContact O-N 2.82Å; V370-K372 PolarHBondContact O-N 3.06Å
371	C	23.2	Very low	33.1	Very low	116 Å²	116	163.7 Å²	163.7	78%	0.784	83%	0.831	S	S	*	*			trans	-70.5	99.5	165.7	-93.5	0	0	0	0	108.8	E369 H373	E369-C371 PolarHBondContact O-N 2.97Å; C371-H373 PolarHBondContact O-N 3.42Å
372	K	21.6	Very low	31.3	Very low	182 Å²	182	160.6 Å²	160.6	79%	0.791	84%	0.837	S	S	*	*			trans	-62.1	110.5	154.6	-71.6	175.2	177	174.3	0	107.8	V370	V370-K372 PolarHBondContact O-N 3.06Å
373	H	27.2	Very low	29.9	Very low	264 Å²	264	164.6 Å²	164.6	100%	1.222	84%	0.844	S	S	*	*			trans	-170.3	0	132.3	-90.9	-36	0	0	0	112.3	C371	C371-H373 PolarHBondContact O-N 3.42Å

Retrieved 373 of 373 residues in 95.1 ms (Link to these results)

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