A0A087YN50_POEFO Loading...

Inactive serine protease 35

AlphaFold DB , UniProt , Accession A0A087YN50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 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	35.5	Very low	42.7	Very low	250 Å²	250	141.3 Å²	141.3	100%	1.232	83%	0.833	S	S	*	*				0	118.4	0	-65.7	-178.2	-121.9	0	0	106.4
2	G	37.8	Very low	42.6	Very low	77 Å²	77	140.5 Å²	140.5	79%	0.794	83%	0.831	S	S	*	*			trans	-77.9	-151.6	-164.5	0	0	0	0	0	115.2
3	P	49.8	Very low	42.6	Very low	118 Å²	118	143.2 Å²	143.2	77%	0.766	83%	0.833	S	S	*	*			cis	-137.6	167.5	-10.2	36.8	-16.5	0	0	0	115.6
4	I	42	Very low	42.7	Very low	151 Å²	151	141.7 Å²	141.7	77%	0.774	83%	0.827	S	S	*	*				27.5	151.6	129.3	-52	172.3	0	0	0	118.8
5	P	49.9	Very low	42.5	Very low	106 Å²	106	142.9 Å²	142.9	69%	0.688	83%	0.827	S	S	*	*			cis	-142.8	173.4	14.4	17.2	11.3	0	0	0	119.9
6	L	41.6	Very low	42.5	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	82%	0.823	S	S	*	*			trans	14.9	118.4	144	-83.5	72.8	0	0	0	119.7
7	C	42.3	Very low	42.2	Very low	130 Å²	130	138.5 Å²	138.5	88%	0.878	82%	0.817	S	S	*	*			trans	-107.6	122	151	-86.8	0	0	0	0	109.8
8	V	45	Very low	42.1	Very low	125 Å²	125	138.3 Å²	138.3	76%	0.758	82%	0.817	S	S	*	*			trans	-73.5	124.9	175.8	173	0	0	0	0	109.3
9	L	40.4	Very low	41.8	Very low	172 Å²	172	137.2 Å²	137.2	90%	0.901	81%	0.812	S	S	*	*			trans	-80.6	120	172.6	-77	159.3	0	0	0	110.1
10	L	38.6	Very low	41.5	Very low	149 Å²	149	134.2 Å²	134.2	78%	0.78	80%	0.803	S	S	*	*			trans	-109.8	133.2	165.2	-86.9	159.9	0	0	0	108.7
11	P	46.8	Very low	41.2	Very low	120 Å²	120	133.9 Å²	133.9	78%	0.779	80%	0.801	S	S	*	*			trans	-82	126.3	176.6	30.8	-29.7	0	0	0	111	M13	P11-M13 PolarHBondContact O-N 2.8Å
12	V	42.1	Very low	41.2	Very low	132 Å²	132	127.3 Å²	127.3	80%	0.8	78%	0.776	S	S	*	*			trans	-78.8	104.2	173.6	178	0	0	0	0	108.9	V14	V12-V14 PolarHBondContact O-N 3.39Å
13	M	42.5	Very low	41.2	Very low	175 Å²	175	127.5 Å²	127.5	86%	0.862	77%	0.77	S	S	*	*			trans	-73.3	116.2	162.9	-83.7	-84.1	-141.7	0	0	108.8	P11 L15	P11-M13 PolarHBondContact O-N 2.8Å; M13-L15 PolarHBondContact O-N 3.29Å
14	V	43.5	Very low	40.6	Very low	123 Å²	123	131.1 Å²	131.1	75%	0.745	78%	0.776	S	S	*	*			trans	-74.1	105.8	172.3	177.2	0	0	0	0	108.3	V12	V12-V14 PolarHBondContact O-N 3.39Å
15	L	39.8	Very low	40.4	Very low	160 Å²	160	132 Å²	132	84%	0.838	78%	0.777	S	S	*	*			trans	-87.9	110.1	169.5	-131.6	90.7	0	0	0	108.7	M13 A17	M13-L15 PolarHBondContact O-N 3.29Å; L15-A17 PolarHBondContact O-N 3.43Å
16	T	42.5	Very low	39.9	Very low	122 Å²	122	133.2 Å²	133.2	75%	0.748	78%	0.778	S	S	*	*			trans	-69.7	104.6	168.5	31	0	0	0	0	109.5	V18	T16-V18 PolarHBondContact O-N 3.22Å; T16-V18 VanDerWaalsContact O-N 3.17Å
17	A	37.4	Very low	39.7	Very low	88 Å²	88	131.8 Å²	131.8	73%	0.727	78%	0.776	S	S	*	*			trans	-74.9	99.5	171.7	0	0	0	0	0	109.8	L15 V19	L15-A17 PolarHBondContact O-N 3.43Å; A17-V19 PolarHBondContact O-N 3.21Å
18	V	39.9	Very low	39.7	Very low	135 Å²	135	132 Å²	132	82%	0.818	77%	0.767	S	S	*	*			trans	-73.9	100.7	162.1	-178.3	0	0	0	0	106.7	T16 A20	T16-V18 PolarHBondContact O-N 3.22Å; T16-V18 VanDerWaalsContact O-N 3.17Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 2.96Å
19	V	36.3	Very low	40	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.715	75%	0.751	S	S	*	*			trans	-72.6	93.5	171.6	-176.6	0	0	0	0	107.5	A17 V21	A17-V19 PolarHBondContact O-N 3.21Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 HydrophobicContact CG1-CG2 3.87Å; V19-V21 PolarHBondContact O-N 3.24Å; V19-V21 VanDerWaalsContact O-N 3.08Å
20	A	36.9	Very low	41	Very low	77 Å²	77	128 Å²	128	64%	0.636	74%	0.742	S	S	*	*			trans	-69.7	97.5	160.6	0	0	0	0	0	107.4	V18 T22	V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 2.96Å; A20-T22 PolarHBondContact O-N 2.94Å
21	V	34.2	Very low	42.4	Very low	127 Å²	127	125.9 Å²	125.9	77%	0.77	73%	0.728	S	S	*	*			trans	-70.1	86.3	166.3	-174.4	0	0	0	0	106.5	V19 A23	V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 HydrophobicContact CG1-CG2 3.87Å; V19-V21 PolarHBondContact O-N 3.24Å; V19-V21 VanDerWaalsContact O-N 3.08Å; V21-A23 PolarHBondContact O-N 2.9Å; V21-A23 VanDerWaalsContact O-N 3.16Å
22	T	36.2	Very low	44.2	Very low	113 Å²	113	124.6 Å²	124.6	69%	0.693	71%	0.708	S	S	*	*			trans	-68.9	108.4	163.9	49.5	0	0	0	0	106.7	A20 E24	A20-T22 PolarHBondContact O-N 2.94Å; T22-E24 PolarHBondContact O-N 2.78Å
23	A	37.4	Very low	46.5	Very low	81 Å²	81	119.9 Å²	119.9	67%	0.669	68%	0.68	S	S	*	*			trans	-59.5	98	171.3	0	0	0	0	0	109.3	V21 E25	V21-A23 PolarHBondContact O-N 2.9Å; V21-A23 VanDerWaalsContact O-N 3.16Å; A23-E25 PolarHBondContact O-N 2.84Å
24	E	36.8	Very low	48.8	Very low	194 Å²	194	111.8 Å²	111.8	91%	0.907	64%	0.64	S	S	*	*			trans	-72	79.6	160.9	-75.4	-173.5	149.4	0	0	108.4	T22	T22-E24 PolarHBondContact O-N 2.78Å
25	E	38.1	Very low	50.9	Low	169 Å²	169	107.8 Å²	107.8	79%	0.79	62%	0.616	S	S	*	*			trans	-124.6	23.9	177.4	-142	-174.9	-169.2	0	0	113.5	A23	A23-E25 PolarHBondContact O-N 2.84Å
26	N	38.8	Very low	53.1	Low	131 Å²	131	107 Å²	107	70%	0.701	61%	0.609	S	S	*	*			trans	-120.5	8.3	-169.4	-81.4	-22.5	0	0	0	117.8
27	T	37.8	Very low	55	Low	127 Å²	127	102.7 Å²	102.7	78%	0.779	58%	0.578	S	S	*	*	S	Bend	trans	-97.9	-10.7	-178.1	56.3	0	0	0	0	115.2
28	I	43.3	Very low	57.3	Low	134 Å²	134	104.5 Å²	104.5	69%	0.687	57%	0.57	S	S	*	*	S	Bend	trans	-100.5	-22.9	-176.4	-57.2	177	0	0	0	112.6
29	D	50.1	Low	59.6	Low	80 Å²	80	98.8 Å²	98.8	43%	0.428	54%	0.536	S	S	.	.	S	Bend	trans	-82.6	-18.2	-172.1	-155.8	32.8	0	0	0	114.6	Q31 T33 K364	D29-Q31 PolarHBondContact O-N 3.22Å; D29-T33 PolarHBondContact O-OG1 2.77Å; D29-T33 VanDerWaalsContact O-OG1 3.11Å; D29-K364 IonicContact OD1-NZ 2.75Å; D29-K364 PolarHBondContact OD1-NZ 2.98Å
30	D	61.8	Low	62.2	Low	133 Å²	133	93.3 Å²	93.3	71%	0.711	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-70.6	-30.9	-177.2	-84.4	-9.2	0	0	0	113.6	Y32 T33	D30-Y32 VanDerWaalsContact C-N 3.28Å; D30-Y32 PolarHBondContact O-N 2.92Å; D30-T33 PolarHBondContact O-N 2.87Å
31	Q	69	Low	64.8	Low	105 Å²	105	91.7 Å²	91.7	49%	0.491	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-74.6	-16.9	-175.3	-66.3	-178.5	28.4	0	0	114	D29 L311	D29-Q31 PolarHBondContact O-N 3.22Å; Q31-L311 WeakPolarHBondContact O-CD2 3.11Å
32	Y	83.3	Confident	67.6	Low	92 Å²	92	85.7 Å²	85.7	36%	0.361	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-105.6	8.7	-179	-69.6	-79.2	0	0	0	113.1	D30 P312 L363 K364 W371	D30-Y32 VanDerWaalsContact C-N 3.28Å; D30-Y32 PolarHBondContact O-N 2.92Å; Y32-P312 HydrophobicContact CD1-CG 4.48Å; Y32-P312 HydrophobicContact CE1-CB 3.96Å; Y32-P312 HydrophobicContact CE1-CG 3.69Å; Y32-P312 HydrophobicContact CE2-CG 3.95Å; Y32-P312 VanDerWaalsContact OH-CB 3.27Å; Y32-P312 WeakPolarHBondContact OH-CB 3.47Å; Y32-P312 VanDerWaalsContact OH-CG 3.28Å; Y32-P312 WeakPolarHBondContact OH-CG 3.38Å; Y32-L363 CarbonylContact O-C 3.56Å; Y32-L363 WeakPolarHBondContact O-CB 3.33Å; Y32-K364 WeakPolarHBondContact O-CB 3.4Å; Y32-K364 PolarHBondContact O-N 3.33Å; Y32-W371 AromaticContact CD1-CH2 3.96Å; Y32-W371 HydrophobicContact CD1-CH2 3.96Å; Y32-W371 HydrophobicContact CD1-CZ3 4.36Å; Y32-W371 HydrophobicContact CG-CH2 4.34Å
33	T	89.8	Confident	70.4	Confident	34 Å²	34	86.8 Å²	86.8	21%	0.209	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-107.2	139.2	-177.3	-60.9	0	0	0	0	110.1	D29 D30 P35 K364 P366	D29-T33 PolarHBondContact O-OG1 2.77Å; D29-T33 VanDerWaalsContact O-OG1 3.11Å; D30-T33 PolarHBondContact O-N 2.87Å; T33-P35 WeakPolarHBondContact O-CD 3.3Å; T33-K364 WeakPolarHBondContact CA-O 3.41Å; T33-P366 HydrophobicContact CG2-CB 4.29Å; T33-P366 HydrophobicContact CG2-CG 4.16Å
34	W	91.4	Very high	73.1	Confident	5 Å²	5	88 Å²	88	2%	0.019	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-60.3	122.4	175.2	-84.3	108	0	0	0	109.4	I361 L363 K364 P366 K372 K374 I376	W34-I361 HydrophobicContact CH2-CD1 3.56Å; W34-I361 HydrophobicContact CH2-CG1 3.3Å; W34-I361 HydrophobicContact CZ2-CD1 4.23Å; W34-I361 HydrophobicContact CZ2-CG1 3.76Å; W34-I361 HydrophobicContact CZ3-CD1 3.95Å; W34-I361 HydrophobicContact CZ3-CG1 4.19Å; W34-L363 HydrophobicContact CD2-CB 3.95Å; W34-L363 HydrophobicContact CD2-CD1 3.95Å; W34-L363 HydrophobicContact CD2-CG 4.34Å; W34-L363 HydrophobicContact CE3-CD1 3.97Å; W34-L363 HydrophobicContact CG-CB 3.88Å; W34-L363 HydrophobicContact CG-CD1 4.42Å; W34-L363 HydrophobicContact CH2-CD1 4.46Å; W34-L363 HydrophobicContact CZ2-CB 4.35Å; W34-L363 HydrophobicContact CZ2-CD1 4.45Å; W34-L363 HydrophobicContact CZ2-CG 4.34Å; W34-L363 HydrophobicContact CZ3-CD1 4.23Å; W34-L363 PolarHBondContact NE1-O 2.02Å; W34-K364 PolarHBondContact N-O 3.45Å; W34-P366 VanDerWaalsContact O-CG 3.27Å; W34-P366 WeakPolarHBondContact O-CG 2.97Å; W34-K372 PolarHBondContact NE1-O 3.42Å; W34-K374 HydrophobicContact CD2-CD 3.75Å; W34-K374 HydrophobicContact CD2-CG 4.36Å; W34-K374 HydrophobicContact CE3-CD 3.91Å; W34-K374 HydrophobicContact CG-CD 4.37Å; W34-K374 HydrophobicContact CH2-CB 3.54Å; W34-K374 HydrophobicContact CH2-CD 4.05Å; W34-K374 HydrophobicContact CH2-CG 4.07Å; W34-K374 HydrophobicContact CZ2-CB 3.5Å; W34-K374 VanDerWaalsContact CZ2-CB 3.5Å; W34-K374 HydrophobicContact CZ2-CD 3.89Å; W34-K374 HydrophobicContact CZ2-CG 3.65Å; W34-K374 HydrophobicContact CZ3-CB 4.25Å; W34-K374 HydrophobicContact CZ3-CD 4.06Å; W34-I376 HydrophobicContact CH2-CG2 3.76Å; W34-I376 HydrophobicContact CZ3-CG2 4.01Å
35	P	89	Confident	75.9	Confident	38 Å²	38	85.3 Å²	85.3	25%	0.247	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-67.8	148.8	175.3	31.6	-37.6	0	0	0	109.6	T33 W37	T33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-W37 VanDerWaalsContact CB-NE1 3.3Å; P35-W37 VanDerWaalsContact CG-NE1 3.27Å
36	Q	85.4	Confident	78.6	Confident	145 Å²	145	82 Å²	82	68%	0.678	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-99.3	122.4	173.6	-62.8	-171.3	-66.5	0	0	109	P366 V423	Q36-P366 HydrophobicContact CG-CB 4.43Å; Q36-P366 HydrophobicContact CG-CG 3.8Å; Q36-V423 HydrophobicContact CB-CG1 4.18Å
37	W	81.1	Confident	81.4	Confident	30 Å²	30	78.1 Å²	78.1	11%	0.114	38%	0.375	C	S	.	.			trans	-116.4	135	-178.8	-69.6	84.2	0	0	0	110.8	P35 T112 V304 P306 V423 A424	P35-W37 VanDerWaalsContact CB-NE1 3.3Å; P35-W37 VanDerWaalsContact CG-NE1 3.27Å; W37-T112 WeakPolarHBondContact CZ3-OG1 3.39Å; W37-V304 HydrophobicContact CG-CB 4.47Å; W37-V304 HydrophobicContact CG-CG1 4.23Å; W37-P306 HydrophobicContact CH2-CB 3.88Å; W37-P306 HydrophobicContact CH2-CG 4.22Å; W37-P306 HydrophobicContact CZ2-CB 3.61Å; W37-P306 HydrophobicContact CZ2-CG 3.49Å; W37-P306 VanDerWaalsContact CZ2-CG 3.49Å; W37-V423 WeakPolarHBondContact O-CA 3.21Å; W37-A424 HydrophobicContact CB-CB 4.46Å; W37-A424 PolarHBondContact O-N 2.89Å; W37-A424 VanDerWaalsContact O-N 3.16Å
38	K	86.6	Confident	84.3	Confident	127 Å²	127	75 Å²	75	55%	0.552	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-69.2	130	162.8	-71.6	-173.1	174.5	-172.2	0	108.9	E110	K38-E110 IonicContact NZ-OE2 3.59Å
39	V	87.9	Confident	86.9	Confident	15 Å²	15	73.8 Å²	73.8	9%	0.091	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-103.7	130.8	-176.9	178.8	0	0	0	0	108.9	Y407 A408 C421 Q422 A424	V39-Y407 HydrophobicContact CB-CD1 4.5Å; V39-Y407 HydrophobicContact CG1-CD1 3.78Å; V39-Y407 HydrophobicContact CG1-CE1 4.34Å; V39-Y407 HydrophobicContact CG2-CD1 3.87Å; V39-Y407 HydrophobicContact CG2-CE1 4Å; V39-A408 HydrophobicContact CG1-CB 3.61Å; V39-C421 VanDerWaalsContact CB-O 3.32Å; V39-C421 WeakPolarHBondContact CB-O 3.5Å; V39-C421 WeakPolarHBondContact CG2-O 3.17Å; V39-Q422 PolarHBondContact N-O 3.41Å; V39-Q422 VanDerWaalsContact N-O 3.08Å; V39-A424 HydrophobicContact CG2-CB 3.59Å
40	P	91.8	Very high	89.1	Confident	2 Å²	2	73 Å²	73	1%	0.013	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.8	158.1	174.3	29.2	-34.4	0	0	0	110.8	V105 H106 V111 P404 L405 A408	P40-V105 HydrophobicContact CB-CG1 4.35Å; P40-H106 WeakPolarHBondContact CA-O 3.45Å; P40-H106 WeakPolarHBondContact CB-O 3.3Å; P40-V111 HydrophobicContact CB-CG2 4.26Å; P40-V111 HydrophobicContact CG-CG2 4.3Å; P40-P404 HydrophobicContact CG-CB 4.4Å; P40-L405 HydrophobicContact CB-CD2 4.2Å; P40-L405 HydrophobicContact CG-CD2 3.59Å; P40-L405 HydrophobicContact CG-CG 4.16Å; P40-A408 HydrophobicContact CG-CB 4.4Å; P40-A408 WeakPolarHBondContact O-CB 3.42Å
41	L	92	Very high	90.7	Very high	43 Å²	43	70.9 Å²	70.9	23%	0.225	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133	178.6	-63.6	173.1	0	0	0	110.4	V105 H106 S418	L41-V105 WeakPolarHBondContact O-CA 3.27Å; L41-H106 HydrophobicContact CB-CB 4.35Å; L41-H106 PolarHBondContact N-O 2.85Å; L41-H106 PolarHBondContact O-N 2.74Å; L41-S418 WeakPolarHBondContact CD2-OG 3.46Å
42	V	92.9	Very high	91.9	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.6	174.1	178.2	0	0	0	0	107.7	V103 S104 A408 S418	V42-V103 HydrophobicContact CG1-CB 3.95Å; V42-V103 HydrophobicContact CG1-CG1 4.06Å; V42-V103 HydrophobicContact CG1-CG2 4.27Å; V42-S104 WeakPolarHBondContact CA-O 3.4Å; V42-A408 HydrophobicContact CG2-CB 3.73Å; V42-S418 PolarHBondContact N-OG 3.16Å; V42-S418 VanDerWaalsContact N-OG 3.17Å; V42-S418 PolarHBondContact O-OG 3.48Å
43	R	93.2	Very high	92.4	Very high	137 Å²	137	65.9 Å²	65.9	52%	0.517	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140	-178.8	-68.8	-176.4	173.9	179.1	-0.9	110.6	R45 V103 S104	R43-R45 PolarHBondContact O-N 2.87Å; R43-V103 CarbonylContact O-C 3.57Å; R43-V103 WeakPolarHBondContact O-CA 3.07Å; R43-V103 WeakPolarHBondContact O-CB 3.45Å; R43-S104 PolarHBondContact N-O 3.05Å; R43-S104 PolarHBondContact O-N 3.1Å
44	K	94.6	Very high	92.6	Very high	105 Å²	105	68.5 Å²	68.5	46%	0.457	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.4	169.8	162.3	175	163	169	0	109.7	T47 T101 Y412	K44-T47 WeakPolarHBondContact CE-OG1 3.34Å; K44-T47 PolarHBondContact NZ-OG1 2.91Å; K44-T101 HydrophobicContact CB-CG2 4.22Å; K44-T101 HydrophobicContact CD-CG2 3.99Å; K44-T101 HydrophobicContact CG-CG2 3.76Å; K44-Y412 VanDerWaalsContact CB-OH 3.25Å; K44-Y412 WeakPolarHBondContact CB-OH 2.95Å
45	R	95.1	Very high	92.7	Very high	139 Å²	139	69.1 Å²	69.1	53%	0.525	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-69.2	170.2	-80.9	-172.7	171.7	147.1	17.5	110.6	R43 E84 S102	R43-R45 PolarHBondContact O-N 2.87Å; R45-E84 IonicContact CZ-OE1 3.55Å; R45-E84 IonicContact CZ-OE2 2.79Å; R45-E84 IonicContact NH1-OE1 3.94Å; R45-E84 IonicContact NH1-OE2 2.78Å; R45-E84 PolarHBondContact NH1-OE2 2.91Å; R45-E84 VanDerWaalsContact NH2-CD 3.31Å; R45-E84 IonicContact NH2-OE1 3.44Å; R45-E84 PolarHBondContact NH2-OE1 2.89Å; R45-E84 IonicContact NH2-OE2 2.86Å; R45-E84 PolarHBondContact NH2-OE2 2.95Å; R45-S102 WeakPolarHBondContact CB-OG 3.45Å; R45-S102 PolarHBondContact N-O 2.85Å
46	H	95.9	Very high	92.9	Very high	100 Å²	100	70.1 Å²	70.1	46%	0.463	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.2	179.9	60.3	-106	0	0	0	111.1	T101 S102	H46-T101 WeakPolarHBondContact O-CA 3.36Å; H46-S102 PolarHBondContact CD2-OG 2.82Å; H46-S102 PolarHBondContact CE1-OG 3.04Å; H46-S102 PolarHBondContact N-OG 2.84Å; H46-S102 PolarHBondContact ND1-OG 3.36Å; H46-S102 WeakPolarHBondContact NE2-CB 3.46Å; H46-S102 PolarHBondContact NE2-OG 3.01Å; H46-S102 PolarHBondContact O-N 2.87Å; H46-S102 PolarHBondContact O-OG 3.11Å
47	T	97.8	Very high	93.2	Very high	49 Å²	49	63.6 Å²	63.6	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.1	173.4	-62	0	0	0	0	108.6	K44 T99 Y100 T101	K44-T47 WeakPolarHBondContact CE-OG1 3.34Å; K44-T47 PolarHBondContact NZ-OG1 2.91Å; T47-T99 HydrophobicContact CG2-CG2 4.14Å; T47-Y100 CarbonylContact C-O 3.5Å; T47-Y100 VanDerWaalsContact CA-O 3.27Å; T47-Y100 WeakPolarHBondContact CA-O 3.35Å; T47-T101 WeakPolarHBondContact CG2-OG1 3.05Å; T47-T101 WeakPolarHBondContact OG1-CG2 3.25Å; T47-T101 PolarHBondContact OG1-OG1 2.77Å
48	V	98	Very high	93.5	Very high	60 Å²	60	69.1 Å²	69.1	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.3	177	-62	0	0	0	0	110.2	T99 Y100	V48-T99 CarbonylContact O-C 3.27Å; V48-T99 VanDerWaalsContact O-CA 3.28Å; V48-T99 WeakPolarHBondContact O-CA 3.48Å; V48-Y100 HydrophobicContact CG2-CD1 3.93Å; V48-Y100 HydrophobicContact CG2-CG 4.41Å; V48-Y100 PolarHBondContact N-O 3.49Å; V48-Y100 PolarHBondContact O-N 2.91Å
49	P	97.9	Very high	93.3	Very high	109 Å²	109	67.3 Å²	67.3	71%	0.708	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	144.5	171.2	29.6	-33.5	0	0	0	110.2
50	L	96.9	Very high	92.5	Very high	63 Å²	63	70.5 Å²	70.5	33%	0.33	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	166.7	170.5	-64.6	-178.1	0	0	0	109.5	E90 R98	L50-E90 HydrophobicContact CD1-CG 4.21Å; L50-R98 HydrophobicContact CB-CB 4.31Å; L50-R98 HydrophobicContact CB-CG 4.01Å; L50-R98 HydrophobicContact CD1-CG 4.04Å; L50-R98 PolarHBondContact N-O 2.98Å
51	S	95.6	Very high	90.9	Very high	89 Å²	89	76.7 Å²	76.7	62%	0.622	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57	147	166.4	55.1	0	0	0	0	110.6	R98	S51-R98 PolarHBondContact O-NE 2.6Å; S51-R98 PolarHBondContact O-NH2 3.37Å; S51-R98 PolarHBondContact OG-NH2 3.12Å; S51-R98 VanDerWaalsContact OG-NH2 3.08Å
52	S	93.1	Very high	89.6	Confident	81 Å²	81	79.5 Å²	79.5	57%	0.566	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-60.5	142.6	174.9	-59.8	0	0	0	0	110.8
53	P	93.9	Very high	88.3	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.071	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-63.9	155	174	-17.6	31.1	0	0	0	111.9	F55 V92 G96 R98 D180 Y181	P53-F55 HydrophobicContact CB-CD1 4.37Å; P53-F55 HydrophobicContact CB-CD2 4.02Å; P53-F55 HydrophobicContact CB-CE1 4.15Å; P53-F55 HydrophobicContact CB-CE2 3.78Å; P53-F55 HydrophobicContact CB-CG 4.31Å; P53-F55 HydrophobicContact CB-CZ 3.85Å; P53-F55 HydrophobicContact CG-CE1 4.21Å; P53-F55 HydrophobicContact CG-CE2 3.95Å; P53-F55 HydrophobicContact CG-CZ 3.69Å; P53-F55 VanDerWaalsContact O-CD2 3.32Å; P53-F55 WeakPolarHBondContact O-CD2 3.4Å; P53-V92 HydrophobicContact CG-CG2 3.91Å; P53-G96 WeakPolarHBondContact CD-O 3.49Å; P53-R98 HydrophobicContact CG-CB 4.29Å; P53-D180 WeakPolarHBondContact CB-OD1 3.31Å; P53-Y181 HydrophobicContact CB-CD2 3.7Å; P53-Y181 HydrophobicContact CB-CG 4.3Å; P53-Y181 HydrophobicContact CG-CD2 3.64Å; P53-Y181 HydrophobicContact CG-CE2 4.05Å; P53-Y181 HydrophobicContact CG-CG 4.35Å
54	S	93.8	Very high	86.3	Confident	90 Å²	90	79.4 Å²	79.4	63%	0.629	45%	0.454	S	S	*	.			trans	-76.7	-25.1	171.2	33.4	0	0	0	0	112.8	A56 D180	S54-A56 PolarHBondContact O-N 3.37Å; S54-D180 WeakPolarHBondContact CB-OD2 3.33Å; S54-D180 PolarHBondContact N-OD1 3.03Å; S54-D180 PolarHBondContact OG-OD2 3.44Å
55	F	94.1	Very high	84.4	Confident	18 Å²	18	78 Å²	78	8%	0.079	47%	0.469	C	S	.	.			trans	56.5	37.5	-174.4	-57.5	-81	0	0	0	112.5	P53 V92 D180 Y181 D183 V185 Q186	P53-F55 HydrophobicContact CB-CD1 4.37Å; P53-F55 HydrophobicContact CB-CD2 4.02Å; P53-F55 HydrophobicContact CB-CE1 4.15Å; P53-F55 HydrophobicContact CB-CE2 3.78Å; P53-F55 HydrophobicContact CB-CG 4.31Å; P53-F55 HydrophobicContact CB-CZ 3.85Å; P53-F55 HydrophobicContact CG-CE1 4.21Å; P53-F55 HydrophobicContact CG-CE2 3.95Å; P53-F55 HydrophobicContact CG-CZ 3.69Å; P53-F55 VanDerWaalsContact O-CD2 3.32Å; P53-F55 WeakPolarHBondContact O-CD2 3.4Å; F55-V92 HydrophobicContact CE1-CG1 4.15Å; F55-V92 HydrophobicContact CZ-CG1 3.93Å; F55-D180 PolarHBondContact N-OD2 2.73Å; F55-Y181 CarbonylContact C-O 3.59Å; F55-Y181 VanDerWaalsContact CA-O 3.28Å; F55-Y181 WeakPolarHBondContact CA-O 3.38Å; F55-Y181 HydrophobicContact CD1-CG 4.49Å; F55-Y181 HydrophobicContact CE1-CG 4.24Å; F55-D183 VanDerWaalsContact O-CA 3.3Å; F55-D183 WeakPolarHBondContact O-CA 3.26Å; F55-V185 HydrophobicContact CD1-CB 4.13Å; F55-V185 HydrophobicContact CD1-CG1 4.47Å; F55-V185 HydrophobicContact CE1-CB 4.35Å; F55-V185 HydrophobicContact CE1-CG1 4.21Å; F55-Q186 HydrophobicContact CD1-CB 4.09Å; F55-Q186 HydrophobicContact CD2-CB 4.2Å; F55-Q186 HydrophobicContact CD2-CG 4.47Å; F55-Q186 HydrophobicContact CE1-CB 4.05Å; F55-Q186 HydrophobicContact CE2-CB 4.15Å; F55-Q186 HydrophobicContact CE2-CG 4.09Å; F55-Q186 HydrophobicContact CG-CB 4.16Å; F55-Q186 HydrophobicContact CZ-CB 4.07Å; F55-Q186 HydrophobicContact CZ-CG 4.18Å
56	A	92.9	Very high	82.7	Confident	59 Å²	59	72.5 Å²	72.5	49%	0.488	45%	0.451	S	S	.	.			trans	-110.3	-0.9	-173.8	0	0	0	0	0	113	S54 H58 D180 Y181	S54-A56 PolarHBondContact O-N 3.37Å; A56-H58 PolarHBondContact O-ND1 2.99Å; A56-D180 PolarHBondContact N-OD2 2.88Å; A56-D180 VanDerWaalsContact N-OD2 3.09Å; A56-Y181 PolarHBondContact N-O 3.05Å
57	A	92.1	Very high	81.2	Confident	8 Å²	8	68.4 Å²	68.4	7%	0.066	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-71.2	150	-179.8	0	0	0	0	0	111.7	D177 D180 Y181 L182 D183	A57-D177 HydrophobicContact CB-CB 3.98Å; A57-D180 HydrophobicContact CB-CB 4.21Å; A57-Y181 WeakPolarHBondContact CB-O 3.37Å; A57-Y181 PolarHBondContact N-O 2.69Å; A57-L182 HydrophobicContact CB-CD2 3.83Å; A57-L182 WeakPolarHBondContact O-CA 3.17Å; A57-D183 PolarHBondContact O-N 3.02Å
58	H	88.1	Confident	79.5	Confident	145 Å²	145	66.2 Å²	66.2	67%	0.671	42%	0.421	S	S	*	.			trans	-106.4	147.6	178.1	-67.7	69.5	0	0	0	110	A56 Q60 L182	A56-H58 PolarHBondContact O-ND1 2.99Å; H58-Q60 PolarHBondContact O-N 3.08Å; H58-L182 VanDerWaalsContact C-CD2 3.46Å; H58-L182 WeakPolarHBondContact O-CD2 3.48Å
59	P	81.7	Confident	78.1	Confident	89 Å²	89	63.6 Å²	63.6	58%	0.578	41%	0.405	S	S	*	.			trans	-56.6	126.4	177.2	-21.6	31.3	0	0	0	110.6	L182	P59-L182 HydrophobicContact CB-CD1 4.47Å; P59-L182 HydrophobicContact CG-CD1 4.28Å
60	Q	70.2	Confident	76.7	Confident	83 Å²	83	60.7 Å²	60.7	39%	0.388	38%	0.382	S	S	.	.			trans	-88.4	120.3	170.7	-62.3	-152.3	-43.5	0	0	108.4	H58 E62 D177	H58-Q60 PolarHBondContact O-N 3.08Å; Q60-E62 PolarHBondContact O-N 3.18Å; Q60-D177 HydrophobicContact CG-CB 4.36Å
61	P	59.9	Low	75.3	Confident	132 Å²	132	59.7 Å²	59.7	86%	0.857	38%	0.379	S	S	*	.	S	Bend	trans	-68.5	-25	-179.9	-12.4	24.7	0	0	0	112.8
62	E	64	Low	74.1	Confident	101 Å²	101	56.8 Å²	56.8	47%	0.472	36%	0.356	S	S	.	.	S	Bend	trans	-134.1	141.6	-175.1	-63.4	-175.4	171.2	0	0	110.9	Q60 S64	Q60-E62 PolarHBondContact O-N 3.18Å; E62-S64 PolarHBondContact O-N 3.17Å
63	L	64.6	Low	72.9	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.157	34%	0.344	C	S	.	.			trans	-81	88.9	170.2	-59.6	175.3	0	0	0	108.4	T66 H173 W272 A282	L63-T66 HydrophobicContact CB-CG2 3.53Å; L63-T66 HydrophobicContact CD1-CG2 4.41Å; L63-H173 HydrophobicContact CD2-CB 4.46Å; L63-W272 HydrophobicContact CD2-CH2 3.31Å; L63-W272 HydrophobicContact CD2-CZ3 3.67Å; L63-A282 HydrophobicContact CD1-CB 4.2Å
64	S	52.2	Low	71.7	Confident	107 Å²	107	62.5 Å²	62.5	75%	0.748	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	134.5	177	-53.6	0	0	0	0	111.4	E62	E62-S64 PolarHBondContact O-N 3.17Å
65	G	54.3	Low	70.7	Confident	75 Å²	75	60.7 Å²	60.7	77%	0.773	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	18.3	170.4	0	0	0	0	0	115.8
66	T	59.7	Low	69.8	Low	24 Å²	24	65 Å²	65	15%	0.147	38%	0.382	C	S	.	.			trans	-73.1	127.8	176.5	49.7	0	0	0	0	111.6	L63 G68 A282 Q383	L63-T66 HydrophobicContact CB-CG2 3.53Å; L63-T66 HydrophobicContact CD1-CG2 4.41Å; T66-G68 PolarHBondContact O-N 3.25Å; T66-A282 HydrophobicContact CG2-CB 3.7Å; T66-Q383 WeakPolarHBondContact OG1-CG 3.13Å; T66-Q383 PolarHBondContact OG1-NE2 3.17Å
67	C	64.6	Low	69.2	Low	14 Å²	14	67.2 Å²	67.2	10%	0.095	39%	0.394	C	S	.	.			trans	-61.3	126.2	172.1	174.6	0	0	0	0	110.5	C71 Q72 I75 G279	C67-C71 WeakPolarHBondContact CA-SG 3.31Å; C67-C71 HydrophobicContact CB-CB 4.38Å; C67-C71 WeakPolarHBondContact CB-SG 3.15Å; C67-C71 VanDerWaalsContact SG-CA 3.52Å; C67-C71 WeakPolarHBondContact SG-CB 3.32Å; C67-C71 CovalentContact SG-SG 2.01Å; C67-C71 PolarHBondContact SG-SG 2.71Å; C67-Q72 HydrophobicContact CB-CG 4.41Å; C67-Q72 PolarHBondContact SG-N 3.3Å; C67-I75 HydrophobicContact CB-CD1 4.11Å; C67-I75 WeakPolarHBondContact SG-CD1 3.47Å; C67-G279 WeakPolarHBondContact CB-O 3.33Å; C67-G279 PolarHBondContact N-O 2.82Å
68	G	62.5	Low	68.9	Low	3 Å²	3	69.3 Å²	69.3	3%	0.031	41%	0.406	C	S	.	.			trans	-74.7	-176.1	174.7	0	0	0	0	0	114.7	T66 E70 C71 Q72 V385 D386	T66-G68 PolarHBondContact O-N 3.25Å; G68-E70 VanDerWaalsContact C-N 3.26Å; G68-E70 PolarHBondContact O-N 3.32Å; G68-C71 PolarHBondContact N-SG 3.47Å; G68-C71 PolarHBondContact O-N 2.86Å; G68-C71 PolarHBondContact O-SG 2.78Å; G68-Q72 WeakPolarHBondContact O-CG 3.5Å; G68-Q72 PolarHBondContact O-N 2.58Å; G68-V385 VanDerWaalsContact CA-CG1 3.45Å; G68-D386 CarbonylContact C-O 3.58Å
69	I	68.8	Low	69	Low	4 Å²	4	65 Å²	65	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-39.5	-173.8	-65.4	163.2	0	0	0	111.6	R73 E338 Y345 V385 D386 V387	I69-R73 WeakPolarHBondContact O-CG 3.23Å; I69-R73 PolarHBondContact O-N 2.77Å; I69-E338 HydrophobicContact CD1-CB 3.55Å; I69-E338 HydrophobicContact CD1-CG 4.02Å; I69-Y345 HydrophobicContact CD1-CD1 4.18Å; I69-Y345 HydrophobicContact CD1-CD2 3.68Å; I69-Y345 HydrophobicContact CD1-CE1 4.33Å; I69-Y345 HydrophobicContact CD1-CE2 3.85Å; I69-Y345 HydrophobicContact CD1-CG 3.85Å; I69-Y345 HydrophobicContact CG1-CD1 4.28Å; I69-Y345 HydrophobicContact CG1-CD2 3.7Å; I69-Y345 HydrophobicContact CG1-CE1 3.93Å; I69-Y345 HydrophobicContact CG1-CE2 3.29Å; I69-Y345 HydrophobicContact CG1-CG 4.17Å; I69-V385 HydrophobicContact CD1-CG1 4.31Å; I69-V385 HydrophobicContact CG1-CG1 3.99Å; I69-D386 PolarHBondContact N-O 2.81Å; I69-V387 HydrophobicContact CD1-CG1 4.15Å; I69-V387 HydrophobicContact CD1-CG2 4.26Å
70	E	67.5	Low	69.4	Low	48 Å²	48	65.1 Å²	65.1	22%	0.224	39%	0.388	C	S	.	.	H	α-helix	trans	-71.7	-49.5	-177	-168.8	-92.7	-166.4	0	0	111.7	G68 Q72 R73 H74 D386	G68-E70 VanDerWaalsContact C-N 3.26Å; G68-E70 PolarHBondContact O-N 3.32Å; E70-Q72 PolarHBondContact O-N 3.17Å; E70-R73 WeakPolarHBondContact O-CA 3.42Å; E70-R73 VanDerWaalsContact O-CB 3.24Å; E70-R73 WeakPolarHBondContact O-CB 3.41Å; E70-R73 PolarHBondContact O-N 3Å; E70-H74 VanDerWaalsContact CD-CE1 3.4Å; E70-H74 PolarHBondContact O-N 3.05Å; E70-H74 PolarHBondContact O-ND1 2.79Å; E70-H74 IonicContact OE1-CE1 3.43Å; E70-H74 PolarHBondContact OE1-CE1 3.19Å; E70-H74 IonicContact OE1-ND1 3.85Å; E70-H74 PolarHBondContact OE1-ND1 2.73Å; E70-H74 VanDerWaalsContact OE1-ND1 3.07Å; E70-H74 IonicContact OE2-CE1 3.76Å; E70-H74 IonicContact OE2-ND1 2.72Å; E70-H74 PolarHBondContact OE2-ND1 3.1Å; E70-D386 PolarHBondContact N-O 3.42Å
71	C	67.4	Low	70.5	Confident	42 Å²	42	66.1 Å²	66.1	28%	0.284	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-28.3	-178.4	60.2	0	0	0	0	110.7	C67 G68 R73 H74 I75	C67-C71 WeakPolarHBondContact CA-SG 3.31Å; C67-C71 HydrophobicContact CB-CB 4.38Å; C67-C71 WeakPolarHBondContact CB-SG 3.15Å; C67-C71 VanDerWaalsContact SG-CA 3.52Å; C67-C71 WeakPolarHBondContact SG-CB 3.32Å; C67-C71 CovalentContact SG-SG 2.01Å; C67-C71 PolarHBondContact SG-SG 2.71Å; G68-C71 PolarHBondContact N-SG 3.47Å; G68-C71 PolarHBondContact O-N 2.86Å; G68-C71 PolarHBondContact O-SG 2.78Å; C71-R73 PolarHBondContact O-N 2.95Å; C71-H74 CarbonylContact O-C 3.54Å; C71-H74 PolarHBondContact O-N 3.19Å; C71-I75 VanDerWaalsContact O-CG1 3.26Å; C71-I75 WeakPolarHBondContact O-CG1 3.13Å; C71-I75 PolarHBondContact O-N 3.38Å
72	Q	70.4	Confident	72	Confident	28 Å²	28	62.4 Å²	62.4	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-25	171.7	-77	-167.8	-20.1	0	0	112.4	C67 G68 E70 L280 D283 S340 Y345	C67-Q72 HydrophobicContact CB-CG 4.41Å; C67-Q72 PolarHBondContact SG-N 3.3Å; G68-Q72 WeakPolarHBondContact O-CG 3.5Å; G68-Q72 PolarHBondContact O-N 2.58Å; E70-Q72 PolarHBondContact O-N 3.17Å; Q72-L280 HydrophobicContact CG-CD2 4.22Å; Q72-D283 PolarHBondContact NE2-OD1 3.49Å; Q72-S340 PolarHBondContact OE1-OG 2.96Å; Q72-Y345 PolarHBondContact OE1-OH 2.75Å
73	R	68.5	Low	73.4	Confident	81 Å²	81	58.6 Å²	58.6	31%	0.306	35%	0.352	S	S	.	.	H	α-helix	trans	-76.1	-29.9	172.9	-66.1	173.1	176.3	176.4	3.5	112.3	I69 E70 C71 R116	I69-R73 WeakPolarHBondContact O-CG 3.23Å; I69-R73 PolarHBondContact O-N 2.77Å; E70-R73 WeakPolarHBondContact O-CA 3.42Å; E70-R73 VanDerWaalsContact O-CB 3.24Å; E70-R73 WeakPolarHBondContact O-CB 3.41Å; E70-R73 PolarHBondContact O-N 3Å; C71-R73 PolarHBondContact O-N 2.95Å; R73-R116 PolarHBondContact O-NH2 3.42Å
74	H	69.3	Low	74.9	Confident	132 Å²	132	57.8 Å²	57.8	61%	0.611	35%	0.347	S	S	*	.	H	α-helix	trans	-90.5	-17.4	-178.5	-66.7	108.2	0	0	0	113.1	E70 C71	E70-H74 VanDerWaalsContact CD-CE1 3.4Å; E70-H74 PolarHBondContact O-N 3.05Å; E70-H74 PolarHBondContact O-ND1 2.79Å; E70-H74 IonicContact OE1-CE1 3.43Å; E70-H74 PolarHBondContact OE1-CE1 3.19Å; E70-H74 IonicContact OE1-ND1 3.85Å; E70-H74 PolarHBondContact OE1-ND1 2.73Å; E70-H74 VanDerWaalsContact OE1-ND1 3.07Å; E70-H74 IonicContact OE2-CE1 3.76Å; E70-H74 IonicContact OE2-ND1 2.72Å; E70-H74 PolarHBondContact OE2-ND1 3.1Å; C71-H74 CarbonylContact O-C 3.54Å; C71-H74 PolarHBondContact O-N 3.19Å
75	I	71.3	Confident	77	Confident	52 Å²	52	56.7 Å²	56.7	27%	0.267	33%	0.33	S	S	.	.	S	Bend	trans	-66.9	126.1	173.1	-70.8	166.5	0	0	0	109.5	C67 C71 L280	C67-I75 HydrophobicContact CB-CD1 4.11Å; C67-I75 WeakPolarHBondContact SG-CD1 3.47Å; C71-I75 VanDerWaalsContact O-CG1 3.26Å; C71-I75 WeakPolarHBondContact O-CG1 3.13Å; C71-I75 PolarHBondContact O-N 3.38Å; I75-L280 HydrophobicContact CD1-CD2 3.61Å; I75-L280 HydrophobicContact CD1-CG 4.2Å; I75-L280 HydrophobicContact CG2-CD1 4.15Å; I75-L280 HydrophobicContact CG2-CD2 4.43Å
76	P	76.1	Confident	78.9	Confident	109 Å²	109	53.8 Å²	53.8	71%	0.708	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-60.6	146.4	176	25.2	-33.3	0	0	0	110.3
77	S	79.2	Confident	80.7	Confident	105 Å²	105	52.7 Å²	52.7	73%	0.734	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-59.9	134.3	175.3	-61.7	0	0	0	0	109.8
78	P	85.8	Confident	82.3	Confident	51 Å²	51	52.2 Å²	52.2	33%	0.331	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-61.4	143.9	-177.2	25.4	-34.7	0	0	0	110.8	D82 L83 F86	P78-D82 HydrophobicContact CB-CB 3.82Å; P78-L83 HydrophobicContact CB-CD2 4.12Å; P78-L83 HydrophobicContact CB-CG 4.14Å; P78-L83 HydrophobicContact CG-CD2 3.54Å; P78-L83 HydrophobicContact CG-CG 3.92Å; P78-F86 HydrophobicContact CB-CE2 3.92Å
79	S	90.3	Very high	84	Confident	55 Å²	55	52.5 Å²	52.5	39%	0.385	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-67	166	171.7	73.6	0	0	0	0	110.7	N81 D82 L83	S79-N81 PolarHBondContact O-N 2.81Å; S79-N81 PolarHBondContact OG-N 3.44Å; S79-D82 VanDerWaalsContact CB-OD2 3.28Å; S79-D82 WeakPolarHBondContact CB-OD2 3.49Å; S79-D82 PolarHBondContact N-OD2 2.92Å; S79-D82 PolarHBondContact O-N 2.86Å; S79-D82 VanDerWaalsContact O-N 3.16Å; S79-D82 PolarHBondContact OG-N 3.04Å; S79-D82 PolarHBondContact OG-OD1 3.27Å; S79-D82 PolarHBondContact OG-OD2 3.33Å; S79-L83 WeakPolarHBondContact O-CG 3.48Å; S79-L83 PolarHBondContact O-N 2.86Å
80	L	91.3	Very high	85.4	Confident	92 Å²	92	52.8 Å²	52.8	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-56.1	-39.5	173.6	-176.3	74	0	0	0	111.6	L83 E84 V105 L108	L80-L83 PolarHBondContact O-N 2.87Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 3.26Å; L80-V105 HydrophobicContact CD1-CB 4.29Å; L80-L108 HydrophobicContact CD1-CD1 3.32Å
81	N	92.7	Very high	86.8	Confident	103 Å²	103	50.6 Å²	50.6	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-65.9	-40.7	178.9	-175	71.6	0	0	0	111.5	S79 E84 Q85	S79-N81 PolarHBondContact O-N 2.81Å; S79-N81 PolarHBondContact OG-N 3.44Å; N81-E84 PolarHBondContact O-N 2.95Å; N81-Q85 WeakPolarHBondContact O-CB 2.98Å; N81-Q85 PolarHBondContact O-N 3.46Å
82	D	92.3	Very high	88.3	Confident	54 Å²	54	48.9 Å²	48.9	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-44.8	175.3	-56.1	-36.2	0	0	0	110.5	P78 S79 E84 Q85 F86	P78-D82 HydrophobicContact CB-CB 3.82Å; S79-D82 VanDerWaalsContact CB-OD2 3.28Å; S79-D82 WeakPolarHBondContact CB-OD2 3.49Å; S79-D82 PolarHBondContact N-OD2 2.92Å; S79-D82 PolarHBondContact O-N 2.86Å; S79-D82 VanDerWaalsContact O-N 3.16Å; S79-D82 PolarHBondContact OG-N 3.04Å; S79-D82 PolarHBondContact OG-OD1 3.27Å; S79-D82 PolarHBondContact OG-OD2 3.33Å; D82-E84 PolarHBondContact O-N 3.05Å; D82-Q85 CarbonylContact O-C 3.57Å; D82-Q85 WeakPolarHBondContact O-CB 3.11Å; D82-Q85 PolarHBondContact O-N 3.12Å; D82-Q85 VanDerWaalsContact O-N 3.16Å; D82-F86 HydrophobicContact CB-CD2 4.48Å; D82-F86 HydrophobicContact CB-CE1 4.32Å; D82-F86 HydrophobicContact CB-CE2 3.87Å; D82-F86 HydrophobicContact CB-CZ 3.78Å; D82-F86 WeakPolarHBondContact O-CB 3.38Å; D82-F86 WeakPolarHBondContact O-CD1 3.06Å; D82-F86 VanDerWaalsContact O-CD2 3.32Å; D82-F86 WeakPolarHBondContact O-CD2 3.4Å; D82-F86 WeakPolarHBondContact O-CG 3.33Å; D82-F86 PolarHBondContact O-N 3.31Å
83	L	93	Very high	89.5	Confident	21 Å²	21	51.5 Å²	51.5	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-44.7	175.9	-71	175.8	0	0	0	112.3	P78 S79 L80 Q85 F86 L87 L108 L405	P78-L83 HydrophobicContact CB-CD2 4.12Å; P78-L83 HydrophobicContact CB-CG 4.14Å; P78-L83 HydrophobicContact CG-CD2 3.54Å; P78-L83 HydrophobicContact CG-CG 3.92Å; S79-L83 WeakPolarHBondContact O-CG 3.48Å; S79-L83 PolarHBondContact O-N 2.86Å; L80-L83 PolarHBondContact O-N 2.87Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 2.02Å; L83-F86 PolarHBondContact O-N 2.64Å; L83-L87 VanDerWaalsContact O-CB 3.27Å; L83-L87 WeakPolarHBondContact O-CB 2.78Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 3.21Å; L83-L108 HydrophobicContact CD1-CD1 4.06Å; L83-L108 HydrophobicContact CD1-CD2 4.33Å; L83-L405 HydrophobicContact CD1-CD1 4.09Å; L83-L405 HydrophobicContact CD2-CD1 3.98Å
84	E	95.4	Very high	90.7	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.065	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-39.6	174.6	-75	-175.6	164.4	0	0	111.4	R45 L80 N81 D82 S88 V103 S104 V105	R45-E84 IonicContact CZ-OE1 3.55Å; R45-E84 IonicContact CZ-OE2 2.79Å; R45-E84 IonicContact NH1-OE1 3.94Å; R45-E84 IonicContact NH1-OE2 2.78Å; R45-E84 PolarHBondContact NH1-OE2 2.91Å; R45-E84 VanDerWaalsContact NH2-CD 3.31Å; R45-E84 IonicContact NH2-OE1 3.44Å; R45-E84 PolarHBondContact NH2-OE1 2.89Å; R45-E84 IonicContact NH2-OE2 2.86Å; R45-E84 PolarHBondContact NH2-OE2 2.95Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 3.26Å; N81-E84 PolarHBondContact O-N 2.95Å; D82-E84 PolarHBondContact O-N 3.05Å; E84-S88 WeakPolarHBondContact O-CB 3.36Å; E84-S88 PolarHBondContact O-N 2.68Å; E84-S88 PolarHBondContact O-OG 3.08Å; E84-V103 WeakPolarHBondContact O-CG2 3.18Å; E84-S104 VanDerWaalsContact OE1-CA 3.27Å; E84-S104 WeakPolarHBondContact OE1-CA 3.44Å; E84-V105 HydrophobicContact CG-CB 4.39Å; E84-V105 HydrophobicContact CG-CG2 4Å; E84-V105 PolarHBondContact OE1-N 3.28Å; E84-V105 VanDerWaalsContact OE1-N 3.12Å
85	Q	96.1	Very high	91.9	Very high	83 Å²	83	50.8 Å²	50.8	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-44.8	175.2	-176	176.9	-1	0	0	111.8	N81 D82 L83 S88 K270 V276	N81-Q85 WeakPolarHBondContact O-CB 2.98Å; N81-Q85 PolarHBondContact O-N 3.46Å; D82-Q85 CarbonylContact O-C 3.57Å; D82-Q85 WeakPolarHBondContact O-CB 3.11Å; D82-Q85 PolarHBondContact O-N 3.12Å; D82-Q85 VanDerWaalsContact O-N 3.16Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 2.02Å; Q85-S88 WeakPolarHBondContact O-CB 3.47Å; Q85-S88 PolarHBondContact O-N 3.38Å; Q85-K270 VanDerWaalsContact O-CB 3.32Å; Q85-K270 WeakPolarHBondContact O-CB 3.42Å; Q85-V276 HydrophobicContact CG-CG1 4.15Å
86	F	95.5	Very high	92.9	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-36.6	-178.5	-58	-17.3	0	0	0	112.2	P78 D82 L83 K270 G271 V276 Y284	P78-F86 HydrophobicContact CB-CE2 3.92Å; D82-F86 HydrophobicContact CB-CD2 4.48Å; D82-F86 HydrophobicContact CB-CE1 4.32Å; D82-F86 HydrophobicContact CB-CE2 3.87Å; D82-F86 HydrophobicContact CB-CZ 3.78Å; D82-F86 WeakPolarHBondContact O-CB 3.38Å; D82-F86 WeakPolarHBondContact O-CD1 3.06Å; D82-F86 VanDerWaalsContact O-CD2 3.32Å; D82-F86 WeakPolarHBondContact O-CD2 3.4Å; D82-F86 WeakPolarHBondContact O-CG 3.33Å; D82-F86 PolarHBondContact O-N 3.31Å; L83-F86 PolarHBondContact O-N 2.64Å; F86-K270 PolarHBondContact O-N 2.73Å; F86-G271 PolarHBondContact O-N 3.19Å; F86-V276 HydrophobicContact CD1-CG1 3.84Å; F86-V276 HydrophobicContact CE1-CG1 4.18Å; F86-V276 VanDerWaalsContact CE1-O 3.27Å; F86-V276 WeakPolarHBondContact CE1-O 2.94Å; F86-Y284 HydrophobicContact CB-CE1 3.77Å; F86-Y284 HydrophobicContact CB-CE2 4.13Å; F86-Y284 HydrophobicContact CD2-CE2 4.07Å; F86-Y284 AromaticContact CD2-CZ 3.87Å; F86-Y284 VanDerWaalsContact CD2-OH 3.31Å; F86-Y284 WeakPolarHBondContact CD2-OH 3.44Å; F86-Y284 HydrophobicContact CG-CE2 4.25Å
87	L	96.4	Very high	93.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-85.2	-10	177.2	-65.1	173.5	0	0	0	113.7	L83 V103 V105 Y284 L405 Q409	L83-L87 VanDerWaalsContact O-CB 3.27Å; L83-L87 WeakPolarHBondContact O-CB 2.78Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 3.21Å; L87-V103 HydrophobicContact CB-CG2 3.81Å; L87-V105 HydrophobicContact CD1-CG2 3.76Å; L87-Y284 HydrophobicContact CD2-CE1 4.47Å; L87-L405 HydrophobicContact CD1-CB 4.21Å; L87-L405 HydrophobicContact CD1-CD2 4Å; L87-Q409 HydrophobicContact CD2-CB 4.34Å; L87-Q409 HydrophobicContact CD2-CG 4.48Å; L87-Q409 PolarHBondContact O-NE2 3.24Å
88	S	97.8	Very high	94.7	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	22%	0.224	C	C	.	.			trans	-59.5	156	162.2	-63.7	0	0	0	0	108.4	E84 Q85 Y100 T101 S102 V103 P269 K270	E84-S88 WeakPolarHBondContact O-CB 3.36Å; E84-S88 PolarHBondContact O-N 2.68Å; E84-S88 PolarHBondContact O-OG 3.08Å; Q85-S88 WeakPolarHBondContact O-CB 3.47Å; Q85-S88 PolarHBondContact O-N 3.38Å; S88-Y100 WeakPolarHBondContact CB-OH 3.33Å; S88-T101 WeakPolarHBondContact CA-O 3.38Å; S88-T101 WeakPolarHBondContact CB-O 3.36Å; S88-S102 WeakPolarHBondContact OG-CA 3.26Å; S88-V103 PolarHBondContact OG-N 2.84Å; S88-P269 CarbonylContact O-C 3.55Å; S88-K270 WeakPolarHBondContact O-CB 3.32Å; S88-K270 VanDerWaalsContact O-CG 3.28Å; S88-K270 WeakPolarHBondContact O-CG 3.14Å; S88-K270 PolarHBondContact O-N 2.67Å
89	Y	98.3	Very high	95.3	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155	-170.6	59.9	-89.8	0	0	0	113.2	T91 T101 V103 I268 Y412 W413	Y89-T91 WeakPolarHBondContact CE2-OG1 3.36Å; Y89-T101 HydrophobicContact CE1-CG2 3.92Å; Y89-T101 HydrophobicContact CE2-CG2 4.32Å; Y89-T101 PolarHBondContact N-O 3.04Å; Y89-T101 PolarHBondContact O-N 2.75Å; Y89-T101 WeakPolarHBondContact OH-CG2 3.32Å; Y89-V103 HydrophobicContact CD1-CG1 4.07Å; Y89-V103 HydrophobicContact CE1-CG1 3.74Å; Y89-I268 VanDerWaalsContact CA-O 3.27Å; Y89-I268 WeakPolarHBondContact CA-O 3.38Å; Y89-I268 WeakPolarHBondContact CB-O 3.09Å; Y89-Y412 HydrophobicContact CE1-CE1 4.49Å; Y89-Y412 WeakPolarHBondContact OH-CE1 3.48Å; Y89-W413 AromaticContact CD1-CZ2 3.96Å; Y89-W413 HydrophobicContact CD1-CZ2 3.96Å; Y89-W413 AromaticContact CD1-NE1 3.51Å; Y89-W413 HydrophobicContact CD2-CZ2 4.32Å; Y89-W413 AromaticContact CD2-NE1 3.73Å; Y89-W413 AromaticContact CE1-NE1 3.43Å; Y89-W413 AromaticContact CE2-NE1 3.67Å; Y89-W413 AromaticContact CG-CE2 4Å; Y89-W413 AromaticContact CG-CZ2 3.74Å; Y89-W413 HydrophobicContact CG-CZ2 3.74Å; Y89-W413 AromaticContact CG-NE1 3.67Å; Y89-W413 AromaticContact CZ-NE1 3.52Å
90	E	98.1	Very high	95.7	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.3	167.7	-70.7	-175.2	-161.9	0	0	110.3	L50 R98 T99 Y181 Q267 I268 K270 F273	L50-E90 HydrophobicContact CD1-CG 4.21Å; E90-R98 VanDerWaalsContact OE2-CD 3.32Å; E90-R98 WeakPolarHBondContact OE2-CD 3.46Å; E90-R98 IonicContact OE2-NH1 3.38Å; E90-T99 CarbonylContact C-O 3.59Å; E90-T99 WeakPolarHBondContact CA-O 3.25Å; E90-Y181 WeakPolarHBondContact CB-OH 3.43Å; E90-Q267 WeakPolarHBondContact O-CA 3.27Å; E90-I268 PolarHBondContact N-O 3.17Å; E90-I268 PolarHBondContact O-N 2.8Å; E90-K270 HydrophobicContact CG-CD 3.93Å; E90-K270 IonicContact OE1-NZ 2.69Å; E90-K270 PolarHBondContact OE1-NZ 2.92Å; E90-F273 HydrophobicContact CB-CZ 3.96Å; E90-F273 HydrophobicContact CG-CE1 4.3Å; E90-F273 HydrophobicContact CG-CE2 4.42Å; E90-F273 HydrophobicContact CG-CZ 3.77Å; E90-F273 WeakPolarHBondContact OE1-CE1 3.49Å; E90-F273 WeakPolarHBondContact OE1-CZ 3.35Å; E90-F273 WeakPolarHBondContact OE2-CE1 3.48Å; E90-F273 WeakPolarHBondContact OE2-CZ 3.43Å
91	T	98.1	Very high	96	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.4	170.9	-53.9	0	0	0	0	109.3	Y89 Y93 R98 T99 K265 T266 Q267	Y89-T91 WeakPolarHBondContact CE2-OG1 3.36Å; T91-Y93 HydrophobicContact CG2-CD1 4.42Å; T91-Y93 HydrophobicContact CG2-CD2 4.35Å; T91-Y93 HydrophobicContact CG2-CE1 3.9Å; T91-Y93 HydrophobicContact CG2-CE2 3.81Å; T91-R98 CarbonylContact O-C 3.49Å; T91-R98 WeakPolarHBondContact O-CA 3.37Å; T91-T99 PolarHBondContact N-O 3.06Å; T91-T99 PolarHBondContact O-N 3.42Å; T91-K265 HydrophobicContact CG2-CB 4.04Å; T91-K265 HydrophobicContact CG2-CD 4.11Å; T91-K265 HydrophobicContact CG2-CG 4.38Å; T91-T266 CarbonylContact C-O 3.39Å; T91-T266 VanDerWaalsContact CA-O 3.24Å; T91-T266 WeakPolarHBondContact CA-O 3.44Å; T91-Q267 HydrophobicContact CG2-CG 3.99Å
92	V	97.7	Very high	96.2	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.9	169.8	168.8	0	0	0	0	109.2	P53 F55 T97 R98 Y181 K265 T266	P53-V92 HydrophobicContact CG-CG2 3.91Å; F55-V92 HydrophobicContact CE1-CG1 4.15Å; F55-V92 HydrophobicContact CZ-CG1 3.93Å; V92-T97 WeakPolarHBondContact CA-O 3Å; V92-R98 HydrophobicContact CG2-CB 4.14Å; V92-R98 HydrophobicContact CG2-CG 4.02Å; V92-Y181 HydrophobicContact CB-CE1 4.05Å; V92-Y181 HydrophobicContact CG2-CD1 4.16Å; V92-Y181 HydrophobicContact CG2-CD2 4.11Å; V92-Y181 HydrophobicContact CG2-CE1 3.56Å; V92-Y181 HydrophobicContact CG2-CE2 3.54Å; V92-Y181 HydrophobicContact CG2-CG 4.4Å; V92-Y181 WeakPolarHBondContact CG2-OH 3.47Å; V92-K265 CarbonylContact O-C 3.58Å; V92-K265 WeakPolarHBondContact O-CA 3.32Å; V92-T266 PolarHBondContact N-O 2.86Å; V92-T266 PolarHBondContact O-N 3.31Å
93	Y	97.1	Very high	96.5	Very high	83 Å²	83	30.2 Å²	30.2	33%	0.325	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	163.7	-177.5	-59.5	-90.9	0	0	0	111.6	T91 N95 G96 T97 T99 K265	T91-Y93 HydrophobicContact CG2-CD1 4.42Å; T91-Y93 HydrophobicContact CG2-CD2 4.35Å; T91-Y93 HydrophobicContact CG2-CE1 3.9Å; T91-Y93 HydrophobicContact CG2-CE2 3.81Å; Y93-N95 VanDerWaalsContact CB-OD1 3.32Å; Y93-N95 WeakPolarHBondContact CB-OD1 3.34Å; Y93-N95 PolarHBondContact O-N 2.74Å; Y93-G96 PolarHBondContact O-N 3.16Å; Y93-T97 WeakPolarHBondContact CD2-O 3.29Å; Y93-T97 WeakPolarHBondContact CD2-OG1 3.25Å; Y93-T97 PolarHBondContact N-O 2.64Å; Y93-T99 HydrophobicContact CE2-CG2 3.9Å; Y93-T99 PolarHBondContact OH-OG1 2.82Å; Y93-K265 HydrophobicContact CD1-CB 3.9Å; Y93-K265 HydrophobicContact CE1-CB 4.3Å; Y93-K265 HydrophobicContact CE1-CD 4.26Å
94	E	93.6	Very high	96.6	Very high	89 Å²	89	29.7 Å²	29.7	42%	0.416	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	179.7	69.6	170.6	-147.9	0	0	114.5	G96 K264 K292	E94-G96 VanDerWaalsContact C-N 3.28Å; E94-K264 PolarHBondContact N-O 2.76Å; E94-K292 VanDerWaalsContact CD-NZ 3.27Å; E94-K292 IonicContact OE1-NZ 2.93Å; E94-K292 PolarHBondContact OE1-NZ 3.11Å; E94-K292 IonicContact OE2-NZ 2.77Å; E94-K292 PolarHBondContact OE2-NZ 2.86Å
95	N	93.2	Very high	96.4	Very high	110 Å²	110	29.3 Å²	29.3	59%	0.588	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	2.6	175.7	67.1	-2.2	0	0	0	113.1	Y93 T97	Y93-N95 VanDerWaalsContact CB-OD1 3.32Å; Y93-N95 WeakPolarHBondContact CB-OD1 3.34Å; Y93-N95 PolarHBondContact O-N 2.74Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact ND2-OG1 2.69Å; N95-T97 PolarHBondContact O-N 2.91Å; N95-T97 WeakPolarHBondContact OD1-CB 3.47Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.39Å; N95-T97 PolarHBondContact OD1-N 3.01Å; N95-T97 PolarHBondContact OD1-OG1 2.9Å
96	G	92.9	Very high	96.1	Very high	4 Å²	4	29.5 Å²	29.5	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	81.6	-3.4	-178.4	0	0	0	0	0	114.9	P53 Y93 E94	P53-G96 WeakPolarHBondContact CD-O 3.49Å; Y93-G96 PolarHBondContact O-N 3.16Å; E94-G96 VanDerWaalsContact C-N 3.28Å
97	T	96.1	Very high	95.5	Very high	60 Å²	60	30.6 Å²	30.6	37%	0.368	16%	0.16	S	C	.	.			trans	-68.2	150.9	174.4	61.3	0	0	0	0	110.8	V92 Y93 N95	V92-T97 WeakPolarHBondContact CA-O 3Å; Y93-T97 WeakPolarHBondContact CD2-O 3.29Å; Y93-T97 WeakPolarHBondContact CD2-OG1 3.25Å; Y93-T97 PolarHBondContact N-O 2.64Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact ND2-OG1 2.69Å; N95-T97 PolarHBondContact O-N 2.91Å; N95-T97 WeakPolarHBondContact OD1-CB 3.47Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.39Å; N95-T97 PolarHBondContact OD1-N 3.01Å; N95-T97 PolarHBondContact OD1-OG1 2.9Å
98	R	97.4	Very high	94.7	Very high	35 Å²	35	32.9 Å²	32.9	13%	0.132	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.1	-179.2	-179	174.9	54.7	169.8	-0.8	110.6	L50 S51 P53 E90 T91 V92	L50-R98 HydrophobicContact CB-CB 4.31Å; L50-R98 HydrophobicContact CB-CG 4.01Å; L50-R98 HydrophobicContact CD1-CG 4.04Å; L50-R98 PolarHBondContact N-O 2.98Å; S51-R98 PolarHBondContact O-NE 2.6Å; S51-R98 PolarHBondContact O-NH2 3.37Å; S51-R98 PolarHBondContact OG-NH2 3.12Å; S51-R98 VanDerWaalsContact OG-NH2 3.08Å; P53-R98 HydrophobicContact CG-CB 4.29Å; E90-R98 VanDerWaalsContact OE2-CD 3.32Å; E90-R98 WeakPolarHBondContact OE2-CD 3.46Å; E90-R98 IonicContact OE2-NH1 3.38Å; T91-R98 CarbonylContact O-C 3.49Å; T91-R98 WeakPolarHBondContact O-CA 3.37Å; V92-R98 HydrophobicContact CG2-CB 4.14Å; V92-R98 HydrophobicContact CG2-CG 4.02Å
99	T	98.2	Very high	93	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.3	174.7	58.4	0	0	0	0	110.9	T47 V48 E90 T91 Y93	T47-T99 HydrophobicContact CG2-CG2 4.14Å; V48-T99 CarbonylContact O-C 3.27Å; V48-T99 VanDerWaalsContact O-CA 3.28Å; V48-T99 WeakPolarHBondContact O-CA 3.48Å; E90-T99 CarbonylContact C-O 3.59Å; E90-T99 WeakPolarHBondContact CA-O 3.25Å; T91-T99 PolarHBondContact N-O 3.06Å; T91-T99 PolarHBondContact O-N 3.42Å; Y93-T99 HydrophobicContact CE2-CG2 3.9Å; Y93-T99 PolarHBondContact OH-OG1 2.82Å
100	Y	98.3	Very high	91	Very high	56 Å²	56	46.4 Å²	46.4	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.4	165.9	172.4	-95.8	0	0	0	109.4	T47 V48 S88 K270	T47-Y100 CarbonylContact C-O 3.5Å; T47-Y100 VanDerWaalsContact CA-O 3.27Å; T47-Y100 WeakPolarHBondContact CA-O 3.35Å; V48-Y100 HydrophobicContact CG2-CD1 3.93Å; V48-Y100 HydrophobicContact CG2-CG 4.41Å; V48-Y100 PolarHBondContact N-O 3.49Å; V48-Y100 PolarHBondContact O-N 2.91Å; S88-Y100 WeakPolarHBondContact CB-OH 3.33Å; Y100-K270 HydrophobicContact CD2-CD 4.04Å; Y100-K270 HydrophobicContact CD2-CG 4.29Å; Y100-K270 HydrophobicContact CE2-CD 3.91Å; Y100-K270 HydrophobicContact CE2-CG 3.76Å
101	T	98.2	Very high	89.2	Confident	4 Å²	4	47 Å²	47	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122	173.3	-60.6	0	0	0	0	110.1	K44 H46 T47 S88 Y89	K44-T101 HydrophobicContact CB-CG2 4.22Å; K44-T101 HydrophobicContact CD-CG2 3.99Å; K44-T101 HydrophobicContact CG-CG2 3.76Å; H46-T101 WeakPolarHBondContact O-CA 3.36Å; T47-T101 WeakPolarHBondContact CG2-OG1 3.05Å; T47-T101 WeakPolarHBondContact OG1-CG2 3.25Å; T47-T101 PolarHBondContact OG1-OG1 2.77Å; S88-T101 WeakPolarHBondContact CA-O 3.38Å; S88-T101 WeakPolarHBondContact CB-O 3.36Å; Y89-T101 HydrophobicContact CE1-CG2 3.92Å; Y89-T101 HydrophobicContact CE2-CG2 4.32Å; Y89-T101 PolarHBondContact N-O 3.04Å; Y89-T101 PolarHBondContact O-N 2.75Å; Y89-T101 WeakPolarHBondContact OH-CG2 3.32Å
102	S	97.8	Very high	87	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	152.1	170.4	63.6	0	0	0	0	111	R45 H46 S88	R45-S102 WeakPolarHBondContact CB-OG 3.45Å; R45-S102 PolarHBondContact N-O 2.85Å; H46-S102 PolarHBondContact CD2-OG 2.82Å; H46-S102 PolarHBondContact CE1-OG 3.04Å; H46-S102 PolarHBondContact N-OG 2.84Å; H46-S102 PolarHBondContact ND1-OG 3.36Å; H46-S102 WeakPolarHBondContact NE2-CB 3.46Å; H46-S102 PolarHBondContact NE2-OG 3.01Å; H46-S102 PolarHBondContact O-N 2.87Å; H46-S102 PolarHBondContact O-OG 3.11Å; S88-S102 WeakPolarHBondContact OG-CA 3.26Å
103	V	96.8	Very high	84.7	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	159.8	-176.8	-58.7	0	0	0	0	111.8	V42 R43 E84 L87 S88 Y89	V42-V103 HydrophobicContact CG1-CB 3.95Å; V42-V103 HydrophobicContact CG1-CG1 4.06Å; V42-V103 HydrophobicContact CG1-CG2 4.27Å; R43-V103 CarbonylContact O-C 3.57Å; R43-V103 WeakPolarHBondContact O-CA 3.07Å; R43-V103 WeakPolarHBondContact O-CB 3.45Å; E84-V103 WeakPolarHBondContact O-CG2 3.18Å; L87-V103 HydrophobicContact CB-CG2 3.81Å; S88-V103 PolarHBondContact OG-N 2.84Å; Y89-V103 HydrophobicContact CD1-CG1 4.07Å; Y89-V103 HydrophobicContact CE1-CG1 3.74Å
104	S	95.1	Very high	82.5	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.6	163.6	61.3	0	0	0	0	110.8	V42 R43 E84 H106	V42-S104 WeakPolarHBondContact CA-O 3.4Å; R43-S104 PolarHBondContact N-O 3.05Å; R43-S104 PolarHBondContact O-N 3.1Å; E84-S104 VanDerWaalsContact OE1-CA 3.27Å; E84-S104 WeakPolarHBondContact OE1-CA 3.44Å; S104-H106 PolarHBondContact OG-NE2 3.5Å
105	V	93	Very high	79.9	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	176.4	-172.8	0	0	0	0	109.8	P40 L41 L80 E84 L87 L108 L405	P40-V105 HydrophobicContact CB-CG1 4.35Å; L41-V105 WeakPolarHBondContact O-CA 3.27Å; L80-V105 HydrophobicContact CD1-CB 4.29Å; E84-V105 HydrophobicContact CG-CB 4.39Å; E84-V105 HydrophobicContact CG-CG2 4Å; E84-V105 PolarHBondContact OE1-N 3.28Å; E84-V105 VanDerWaalsContact OE1-N 3.12Å; L87-V105 HydrophobicContact CD1-CG2 3.76Å; V105-L108 HydrophobicContact CB-CD1 4Å; V105-L108 HydrophobicContact CG1-CD1 3.38Å; V105-L108 HydrophobicContact CG1-CG 3.85Å; V105-L405 HydrophobicContact CG1-CD2 3.67Å
106	H	89.8	Confident	77.5	Confident	86 Å²	86	59.7 Å²	59.7	40%	0.398	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.8	178	-57.3	-83.7	0	0	0	111	P40 L41 S104	P40-H106 WeakPolarHBondContact CA-O 3.45Å; P40-H106 WeakPolarHBondContact CB-O 3.3Å; L41-H106 HydrophobicContact CB-CB 4.35Å; L41-H106 PolarHBondContact N-O 2.85Å; L41-H106 PolarHBondContact O-N 2.74Å; S104-H106 PolarHBondContact OG-NE2 3.5Å
107	G	82.4	Confident	75.1	Confident	38 Å²	38	64.2 Å²	64.2	39%	0.392	34%	0.339	S	S	.	.			trans	78.5	15.4	175	0	0	0	0	0	115.5	N109 E110	G107-N109 VanDerWaalsContact C-N 3.31Å; G107-N109 PolarHBondContact O-N 2.75Å; G107-E110 PolarHBondContact O-N 2.91Å
108	L	78.6	Confident	72.4	Confident	49 Å²	49	66.9 Å²	66.9	26%	0.257	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59.7	-37.9	177.8	-100.8	154	0	0	0	113.2	L80 L83 V105 E110 V111 L405	L80-L108 HydrophobicContact CD1-CD1 3.32Å; L83-L108 HydrophobicContact CD1-CD1 4.06Å; L83-L108 HydrophobicContact CD1-CD2 4.33Å; V105-L108 HydrophobicContact CB-CD1 4Å; V105-L108 HydrophobicContact CG1-CD1 3.38Å; V105-L108 HydrophobicContact CG1-CG 3.85Å; L108-E110 PolarHBondContact O-N 2.74Å; L108-V111 WeakPolarHBondContact O-CB 3.35Å; L108-V111 PolarHBondContact O-N 2.92Å; L108-L405 HydrophobicContact CD2-CD1 4.3Å; L108-L405 HydrophobicContact CD2-CD2 4.24Å; L108-L405 HydrophobicContact CG-CD2 4.37Å
109	N	61.8	Low	69.6	Low	169 Å²	169	68.2 Å²	68.2	90%	0.904	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.5	-177.8	-62.2	-5.1	0	0	0	113.5	G107	G107-N109 VanDerWaalsContact C-N 3.31Å; G107-N109 PolarHBondContact O-N 2.75Å
110	E	57.8	Low	66.7	Low	129 Å²	129	71.5 Å²	71.5	60%	0.603	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-94.2	-3.5	177.4	-65.3	-174.9	-156.1	0	0	113	K38 G107 L108	K38-E110 IonicContact NZ-OE2 3.59Å; G107-E110 PolarHBondContact O-N 2.91Å; L108-E110 PolarHBondContact O-N 2.74Å
111	V	59.1	Low	63.8	Low	22 Å²	22	79.8 Å²	79.8	13%	0.133	43%	0.425	C	S	.	.	S	Bend	trans	-83.7	122.9	176.8	-175.1	0	0	0	0	107.9	P40 L108 V113 P404	P40-V111 HydrophobicContact CB-CG2 4.26Å; P40-V111 HydrophobicContact CG-CG2 4.3Å; L108-V111 WeakPolarHBondContact O-CB 3.35Å; L108-V111 PolarHBondContact O-N 2.92Å; V111-V113 PolarHBondContact O-N 2.93Å; V111-P404 HydrophobicContact CG1-CB 4.25Å; V111-P404 HydrophobicContact CG1-CG 4.09Å
112	T	53.5	Low	60.7	Low	93 Å²	93	83.4 Å²	83.4	57%	0.571	45%	0.45	S	S	*	.			trans	-56.1	108.4	173.8	23.7	0	0	0	0	109.7	W37 W114	W37-T112 WeakPolarHBondContact CZ3-OG1 3.39Å; T112-W114 PolarHBondContact O-N 2.98Å
113	V	48	Very low	57.9	Low	136 Å²	136	93.2 Å²	93.2	82%	0.824	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-57.3	132	-178.1	-179.9	0	0	0	0	109.5	V111	V111-V113 PolarHBondContact O-N 2.93Å
114	W	51.1	Low	54.9	Low	60 Å²	60	100.2 Å²	100.2	23%	0.227	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-58.9	128.6	177.9	-67.4	-22.3	0	0	0	111	T112 R116 N341 T403	T112-W114 PolarHBondContact O-N 2.98Å; W114-R116 PolarHBondContact O-N 2.9Å; W114-N341 HydrophobicContact CE3-CB 3.86Å; W114-N341 VanDerWaalsContact CE3-OD1 3.27Å; W114-N341 HydrophobicContact CH2-CB 4.36Å; W114-N341 WeakPolarHBondContact CH2-O 3.41Å; W114-N341 VanDerWaalsContact CZ3-CA 3.43Å; W114-N341 HydrophobicContact CZ3-CB 3.37Å; W114-N341 VanDerWaalsContact CZ3-O 3.26Å; W114-N341 WeakPolarHBondContact CZ3-O 3.22Å; W114-T403 HydrophobicContact CH2-CG2 3.33Å; W114-T403 HydrophobicContact CZ2-CG2 3.71Å
115	P	39.2	Very low	52	Low	88 Å²	88	106 Å²	106	57%	0.571	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-65.2	123.4	167.2	-10.1	22.7	0	0	0	108.8	N117	P115-N117 PolarHBondContact O-N 3.47Å
116	R	41.8	Very low	49.9	Very low	178 Å²	178	112.1 Å²	112.1	67%	0.672	56%	0.564	S	S	*	*			trans	-69.5	92.8	176.2	-150.4	173.4	145.5	150.1	-1.2	108.2	R73 W114 T118	R73-R116 PolarHBondContact O-NH2 3.42Å; W114-R116 PolarHBondContact O-N 2.9Å; R116-T118 PolarHBondContact O-N 3.04Å
117	N	43.7	Very low	48.1	Very low	99 Å²	99	112 Å²	112	53%	0.529	56%	0.564	S	S	.	*			trans	-89.7	111.9	-176	-106	19.6	0	0	0	111.5	P115 K310	P115-N117 PolarHBondContact O-N 3.47Å; N117-K310 VanDerWaalsContact ND2-CE 3.26Å; N117-K310 WeakPolarHBondContact ND2-CE 3.15Å
118	T	38.7	Very low	46.6	Very low	116 Å²	116	111.6 Å²	111.6	71%	0.712	55%	0.554	S	S	*	*			trans	-84.2	101.6	167.7	46	0	0	0	0	109.7	R116	R116-T118 PolarHBondContact O-N 3.04Å
119	S	39.6	Very low	45.6	Very low	64 Å²	64	111 Å²	111	45%	0.448	55%	0.548	S	S	.	.			trans	-142.6	106.7	160.1	76.8	0	0	0	0	109.6	K309	S119-K309 PolarHBondContact O-NZ 3.42Å; S119-K309 PolarHBondContact OG-NZ 3.23Å
120	S	36.1	Very low	45.5	Very low	87 Å²	87	105.7 Å²	105.7	61%	0.608	53%	0.534	S	S	*	.			trans	-101.3	124.9	170.4	53.1	0	0	0	0	109.2
121	R	37.7	Very low	45.6	Very low	231 Å²	231	105.4 Å²	105.4	87%	0.872	54%	0.541	S	S	*	.			trans	-139.2	108.4	152.5	-73.9	-170.7	81.3	171.5	4.4	108.9
122	S	33.2	Very low	46.4	Very low	79 Å²	79	107.2 Å²	107.2	55%	0.552	55%	0.55	S	S	*	*			trans	-57.7	133	175.9	164.3	0	0	0	0	112.6
123	R	39.4	Very low	47.8	Very low	215 Å²	215	105.7 Å²	105.7	81%	0.811	54%	0.541	S	S	*	.			trans	-148.1	144.5	148.9	-72.2	-165.7	-168.8	153	3.1	109.9	Y347	R123-Y347 PolarHBondContact O-OH 3.11Å
124	H	34.1	Very low	49.7	Very low	149 Å²	149	100 Å²	100	69%	0.69	50%	0.504	S	S	*	.			trans	-87.4	152.7	-168.3	-62.1	-29.3	0	0	0	116.2
125	K	33.1	Very low	51.5	Low	130 Å²	130	102.2 Å²	102.2	57%	0.565	52%	0.516	S	S	*	.			trans	98.3	118.5	134.1	-110.6	179.2	176.2	174	0	121.7	Y129	K125-Y129 WeakPolarHBondContact O-CD1 3.48Å
126	R	48.8	Very low	53.9	Low	136 Å²	136	100.7 Å²	100.7	51%	0.513	51%	0.505	S	S	.	.			trans	109	132.7	132.9	-62.5	175.2	-162.6	-178	7.1	122.6	V128 Y129 D395	R126-V128 CarbonylContact O-C 3.55Å; R126-V128 PolarHBondContact O-N 3.48Å; R126-Y129 VanDerWaalsContact C-CE1 3.45Å; R126-Y129 WeakPolarHBondContact O-CD1 3.43Å; R126-Y129 VanDerWaalsContact O-CD2 3.32Å; R126-Y129 WeakPolarHBondContact O-CD2 3.44Å; R126-Y129 WeakPolarHBondContact O-CE1 3.11Å; R126-Y129 WeakPolarHBondContact O-CE2 3.41Å; R126-Y129 PolarHBondContact O-N 3.19Å; R126-D395 WeakPolarHBondContact CA-OD2 3.43Å; R126-D395 PolarHBondContact N-OD2 2.65Å
127	E	52.1	Low	56	Low	84 Å²	84	93.1 Å²	93.1	39%	0.393	48%	0.478	S	S	.	.	S	Bend	trans	-60.2	117.7	154.4	-160.9	-167.1	142.8	0	0	111.9	K351 D395	E127-K351 IonicContact OE1-NZ 3.08Å; E127-K351 PolarHBondContact OE1-NZ 3.28Å; E127-D395 PolarHBondContact N-OD2 2.88Å
128	V	52.3	Low	57.5	Low	29 Å²	29	92 Å²	92	18%	0.176	48%	0.482	C	S	.	.	S	Bend	trans	57.1	96.8	-153.3	-171.7	0	0	0	0	111.3	R126 G130 D132 D349	R126-V128 CarbonylContact O-C 3.55Å; R126-V128 PolarHBondContact O-N 3.48Å; V128-G130 PolarHBondContact O-N 3Å; V128-D132 HydrophobicContact CG1-CB 4.1Å; V128-D349 VanDerWaalsContact CA-OD1 3.23Å; V128-D349 WeakPolarHBondContact CA-OD1 3.44Å
129	Y	56.5	Low	59.4	Low	36 Å²	36	89.9 Å²	89.9	14%	0.141	47%	0.467	C	S	.	.			trans	-76.6	89	-174.8	-59.8	-85.7	0	0	0	110.1	K125 R126 T131 Y347 D349 N397	K125-Y129 WeakPolarHBondContact O-CD1 3.48Å; R126-Y129 VanDerWaalsContact C-CE1 3.45Å; R126-Y129 WeakPolarHBondContact O-CD1 3.43Å; R126-Y129 VanDerWaalsContact O-CD2 3.32Å; R126-Y129 WeakPolarHBondContact O-CD2 3.44Å; R126-Y129 WeakPolarHBondContact O-CE1 3.11Å; R126-Y129 WeakPolarHBondContact O-CE2 3.41Å; R126-Y129 PolarHBondContact O-N 3.19Å; Y129-T131 PolarHBondContact O-N 3.46Å; Y129-Y347 AromaticContact CD1-CD1 3.76Å; Y129-Y347 HydrophobicContact CD1-CD1 3.76Å; Y129-Y347 HydrophobicContact CD1-CD2 4.31Å; Y129-Y347 HydrophobicContact CD1-CE1 4.39Å; Y129-Y347 AromaticContact CD1-CG 3.62Å; Y129-Y347 HydrophobicContact CD1-CG 3.62Å; Y129-Y347 VanDerWaalsContact CD2-CA 3.49Å; Y129-Y347 WeakPolarHBondContact CD2-O 3.44Å; Y129-Y347 AromaticContact CE1-CD1 2.9Å; Y129-Y347 HydrophobicContact CE1-CD1 2.9Å; Y129-Y347 HydrophobicContact CE1-CD2 4.19Å; Y129-Y347 AromaticContact CE1-CE1 3.43Å; Y129-Y347 HydrophobicContact CE1-CE1 3.43Å; Y129-Y347 VanDerWaalsContact CE1-CE1 3.43Å; Y129-Y347 AromaticContact CE1-CG 3.28Å; Y129-Y347 HydrophobicContact CE1-CG 3.28Å; Y129-Y347 HydrophobicContact CE2-CD1 4Å; Y129-Y347 HydrophobicContact CE2-CG 4.23Å; Y129-Y347 WeakPolarHBondContact CE2-O 3.29Å; Y129-Y347 HydrophobicContact CG-CG 4.26Å; Y129-Y347 VanDerWaalsContact CZ-CA 3.44Å; Y129-Y347 AromaticContact CZ-CD1 3.08Å; Y129-Y347 AromaticContact CZ-CE1 3.87Å; Y129-Y347 AromaticContact CZ-CG 3.65Å; Y129-Y347 WeakPolarHBondContact OH-CD1 3.35Å; Y129-D349 WeakPolarHBondContact CD2-OD1 3.47Å; Y129-D349 PolarHBondContact N-OD1 2.89Å; Y129-N397 WeakPolarHBondContact CE2-ND2 3.36Å; Y129-N397 PolarHBondContact OH-N 3.1Å; Y129-N397 PolarHBondContact OH-ND2 2.71Å
130	G	59.6	Low	61	Low	58 Å²	58	88.6 Å²	88.6	60%	0.598	45%	0.453	S	S	*	.	S	Bend	trans	71.6	-115.6	178.5	0	0	0	0	0	111.7	V128	V128-G130 PolarHBondContact O-N 3Å
131	T	60.4	Low	63	Low	123 Å²	123	89.5 Å²	89.5	76%	0.755	45%	0.447	S	S	*	.	S	Bend	trans	-82.6	127.9	179.6	-52.8	0	0	0	0	109.8	Y129 T133	Y129-T131 PolarHBondContact O-N 3.46Å; T131-T133 VanDerWaalsContact O-CG2 3.3Å; T131-T133 WeakPolarHBondContact O-CG2 3.12Å; T131-T133 PolarHBondContact O-N 2.93Å
132	D	76.3	Confident	65.2	Low	61 Å²	61	84.9 Å²	84.9	33%	0.326	43%	0.431	S	S	.	.			trans	-53.7	107	178.7	-172.2	-8.9	0	0	0	111.7	V128 R134 R325	V128-D132 HydrophobicContact CG1-CB 4.1Å; D132-R134 VanDerWaalsContact C-N 3.3Å; D132-R134 WeakPolarHBondContact OD1-CB 3.44Å; D132-R134 WeakPolarHBondContact OD1-CG 3.42Å; D132-R134 IonicContact OD1-CZ 2.96Å; D132-R134 PolarHBondContact OD1-N 2.82Å; D132-R134 IonicContact OD1-NE 2.69Å; D132-R134 PolarHBondContact OD1-NE 3.28Å; D132-R134 IonicContact OD1-NH2 3.17Å; D132-R134 IonicContact OD2-CZ 3.21Å; D132-R134 IonicContact OD2-NE 3.37Å; D132-R134 PolarHBondContact OD2-NE 2.97Å; D132-R134 IonicContact OD2-NH2 2.94Å; D132-R134 PolarHBondContact OD2-NH2 3.17Å; D132-R325 IonicContact OD1-NH2 2.67Å; D132-R325 IonicContact OD2-CZ 2.73Å; D132-R325 IonicContact OD2-NH2 3.97Å; D132-R325 PolarHBondContact OD2-NH2 2.93Å
133	T	83	Confident	67.8	Low	61 Å²	61	81.2 Å²	81.2	37%	0.374	41%	0.405	S	S	.	.			trans	-87.7	4.7	-179.7	63.6	0	0	0	0	112.8	T131 F135 D349	T131-T133 VanDerWaalsContact O-CG2 3.3Å; T131-T133 WeakPolarHBondContact O-CG2 3.12Å; T131-T133 PolarHBondContact O-N 2.93Å; T133-F135 WeakPolarHBondContact O-CD2 3.42Å; T133-F135 WeakPolarHBondContact O-CE2 3.48Å; T133-F135 PolarHBondContact O-N 3.02Å; T133-D349 WeakPolarHBondContact CB-OD2 3.39Å; T133-D349 PolarHBondContact N-OD2 3.23Å; T133-D349 PolarHBondContact OG1-OD2 3.28Å
134	R	86.5	Confident	70.3	Confident	16 Å²	16	72.5 Å²	72.5	6%	0.06	38%	0.376	C	S	.	.			trans	-78.5	123.4	-177.4	-59.2	176.9	-64.9	158.3	-0.6	111.9	D132 D322 D324 R325 V330 D349	D132-R134 VanDerWaalsContact C-N 3.3Å; D132-R134 WeakPolarHBondContact OD1-CB 3.44Å; D132-R134 WeakPolarHBondContact OD1-CG 3.42Å; D132-R134 IonicContact OD1-CZ 2.96Å; D132-R134 PolarHBondContact OD1-N 2.82Å; D132-R134 IonicContact OD1-NE 2.69Å; D132-R134 PolarHBondContact OD1-NE 3.28Å; D132-R134 IonicContact OD1-NH2 3.17Å; D132-R134 IonicContact OD2-CZ 3.21Å; D132-R134 IonicContact OD2-NE 3.37Å; D132-R134 PolarHBondContact OD2-NE 2.97Å; D132-R134 IonicContact OD2-NH2 2.94Å; D132-R134 PolarHBondContact OD2-NH2 3.17Å; R134-D322 WeakPolarHBondContact CD-OD2 3.44Å; R134-D322 IonicContact CZ-OD2 2.71Å; R134-D322 IonicContact NH1-OD2 2.81Å; R134-D322 PolarHBondContact NH1-OD2 3.25Å; R134-D324 IonicContact CZ-OD1 3.62Å; R134-D324 IonicContact CZ-OD2 2.76Å; R134-D324 VanDerWaalsContact CZ-OD2 3.3Å; R134-D324 VanDerWaalsContact NH1-CG 3.33Å; R134-D324 IonicContact NH1-OD1 3.67Å; R134-D324 PolarHBondContact NH1-OD1 3.39Å; R134-D324 IonicContact NH1-OD2 3.92Å; R134-D324 PolarHBondContact NH1-OD2 3.46Å; R134-D324 IonicContact NH2-OD2 3.58Å; R134-D324 PolarHBondContact NH2-OD2 2.88Å; R134-R325 PolarHBondContact O-NH1 3.17Å; R134-R325 PolarHBondContact O-NH2 3.47Å; R134-V330 HydrophobicContact CB-CG1 3.59Å; R134-V330 HydrophobicContact CG-CG1 4.21Å; R134-D349 WeakPolarHBondContact CD-O 3.27Å; R134-D349 HydrophobicContact CG-CB 3.54Å; R134-D349 WeakPolarHBondContact CG-O 3.41Å
135	F	89.6	Confident	73.1	Confident	107 Å²	107	70.8 Å²	70.8	47%	0.469	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.4	178.2	-58	-85.7	0	0	0	110.8	T133 I137 Y331 F333	T133-F135 WeakPolarHBondContact O-CD2 3.42Å; T133-F135 WeakPolarHBondContact O-CE2 3.48Å; T133-F135 PolarHBondContact O-N 3.02Å; F135-I137 PolarHBondContact O-N 2.66Å; F135-Y331 HydrophobicContact CB-CD1 4.2Å; F135-Y331 HydrophobicContact CD2-CD1 4.03Å; F135-Y331 HydrophobicContact CD2-CE1 4.33Å; F135-Y331 HydrophobicContact CG-CD1 4.44Å; F135-Y331 PolarHBondContact N-O 3.4Å; F135-Y331 PolarHBondContact O-N 3.41Å; F135-F333 HydrophobicContact CE2-CD1 4.29Å; F135-F333 AromaticContact CE2-CE1 3.68Å; F135-F333 HydrophobicContact CE2-CE1 3.68Å; F135-F333 HydrophobicContact CZ-CE1 4.33Å
136	T	88.8	Confident	76	Confident	55 Å²	55	68.6 Å²	68.6	34%	0.337	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.1	168.7	-62.8	0	0	0	0	109.7	A138 R325 N328	T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 HydrophobicContact CG2-CB 4.36Å; T136-A138 PolarHBondContact O-N 3.07Å; T136-R325 WeakPolarHBondContact OG1-CD 3.34Å; T136-R325 PolarHBondContact OG1-NH1 3.1Å; T136-N328 HydrophobicContact CG2-CB 3.77Å
137	I	86.5	Confident	78.3	Confident	20 Å²	20	62.6 Å²	62.6	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	78.5	173.4	-53.8	-177	0	0	0	108.5	F135 D139 F148 L329 Y331	F135-I137 PolarHBondContact O-N 2.66Å; I137-D139 VanDerWaalsContact C-N 3.34Å; I137-F148 HydrophobicContact CD1-CB 4.39Å; I137-F148 HydrophobicContact CD1-CD1 3.3Å; I137-F148 HydrophobicContact CD1-CD2 3.83Å; I137-F148 HydrophobicContact CD1-CE1 3.32Å; I137-F148 HydrophobicContact CD1-CE2 3.83Å; I137-F148 HydrophobicContact CD1-CG 3.56Å; I137-F148 HydrophobicContact CD1-CZ 3.59Å; I137-L329 HydrophobicContact CD1-CD2 4.16Å; I137-L329 PolarHBondContact N-O 3.32Å; I137-Y331 HydrophobicContact CD1-CG 4.45Å
138	A	75.1	Confident	80.3	Confident	75 Å²	75	60.5 Å²	60.5	62%	0.62	32%	0.324	S	S	*	.			trans	-71.7	-29.2	-177.9	0	0	0	0	0	112.9	T136 K140	T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 HydrophobicContact CG2-CB 4.36Å; T136-A138 PolarHBondContact O-N 3.07Å; A138-K140 PolarHBondContact O-N 2.91Å
139	D	77.9	Confident	82.4	Confident	72 Å²	72	59.5 Å²	59.5	39%	0.385	32%	0.318	S	S	.	.			trans	-75.9	126.9	179.6	-168.7	-17.5	0	0	0	110.8	I137 Q141 Y142 S143	I137-D139 VanDerWaalsContact C-N 3.34Å; D139-Q141 PolarHBondContact O-N 3.27Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.41Å; D139-Q141 PolarHBondContact OD1-N 3.17Å; D139-Y142 HydrophobicContact CB-CD2 3.67Å; D139-Y142 HydrophobicContact CB-CE2 4.19Å; D139-Y142 PolarHBondContact O-N 3.14Å; D139-S143 PolarHBondContact O-N 3.29Å; D139-S143 PolarHBondContact O-OG 2.89Å
140	K	74.7	Confident	84.3	Confident	37 Å²	37	57.9 Å²	57.9	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-34.5	179.6	-45.5	-166	-178.6	93	0	111.6	A138 Y142 S143 T144 E195 S253 G254 P256	A138-K140 PolarHBondContact O-N 2.91Å; K140-Y142 PolarHBondContact O-N 2.94Å; K140-S143 WeakPolarHBondContact CA-OG 3.29Å; K140-T144 WeakPolarHBondContact O-CB 3.27Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 2.95Å; K140-E195 HydrophobicContact CB-CG 4.45Å; K140-S253 VanDerWaalsContact CE-O 3.31Å; K140-S253 WeakPolarHBondContact CE-O 3.28Å; K140-S253 PolarHBondContact NZ-O 3.43Å; K140-G254 WeakPolarHBondContact CE-O 3.27Å; K140-P256 HydrophobicContact CB-CG 3.95Å; K140-P256 HydrophobicContact CD-CG 3.7Å; K140-P256 VanDerWaalsContact CE-CD 3.44Å; K140-P256 HydrophobicContact CG-CG 3.53Å
141	Q	77.3	Confident	86.2	Confident	105 Å²	105	55.5 Å²	55.5	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-23.4	-180	-63.1	-166.4	-10	0	0	112.1	D139 K145	D139-Q141 PolarHBondContact O-N 3.27Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.41Å; D139-Q141 PolarHBondContact OD1-N 3.17Å; Q141-K145 WeakPolarHBondContact O-CD 3.37Å; Q141-K145 WeakPolarHBondContact O-CE 3.49Å; Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-NZ 2.89Å
142	Y	84.9	Confident	88	Confident	134 Å²	134	49.7 Å²	49.7	53%	0.525	25%	0.25	S	S	.	.	H	α-helix	trans	-97.2	-47.5	175.6	-61.3	-57.1	0	0	0	111.6	D139 K140 T144 K145 F148	D139-Y142 HydrophobicContact CB-CD2 3.67Å; D139-Y142 HydrophobicContact CB-CE2 4.19Å; D139-Y142 PolarHBondContact O-N 3.14Å; K140-Y142 PolarHBondContact O-N 2.94Å; Y142-T144 PolarHBondContact O-N 2.82Å; Y142-T144 VanDerWaalsContact O-N 3.1Å; Y142-K145 PolarHBondContact O-N 3.28Å; Y142-F148 WeakPolarHBondContact O-CD2 3.32Å
143	S	87.9	Confident	89	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-22.1	-176	55.8	0	0	0	0	114.1	D139 K140	D139-S143 PolarHBondContact O-N 3.29Å; D139-S143 PolarHBondContact O-OG 2.89Å; K140-S143 WeakPolarHBondContact CA-OG 3.29Å
144	T	90.3	Very high	89.7	Confident	32 Å²	32	45.3 Å²	45.3	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	6.6	177.6	67.8	0	0	0	0	114.4	K140 Y142 S149 E195	K140-T144 WeakPolarHBondContact O-CB 3.27Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 2.95Å; Y142-T144 PolarHBondContact O-N 2.82Å; Y142-T144 VanDerWaalsContact O-N 3.1Å; T144-S149 VanDerWaalsContact O-CB 3.32Å; T144-S149 WeakPolarHBondContact O-CB 3.49Å; T144-E195 HydrophobicContact CG2-CG 3.92Å
145	K	93.6	Very high	90.2	Very high	112 Å²	112	46.8 Å²	46.8	49%	0.487	24%	0.236	S	C	.	.	S	Bend	trans	-108.5	157.2	175.1	-72.7	-175.4	-164.1	161.8	0	111.9	Q141 Y142 F148 S149	Q141-K145 WeakPolarHBondContact O-CD 3.37Å; Q141-K145 WeakPolarHBondContact O-CE 3.49Å; Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-NZ 2.89Å; Y142-K145 PolarHBondContact O-N 3.28Å; K145-F148 WeakPolarHBondContact O-CA 3.44Å; K145-F148 WeakPolarHBondContact O-CB 3.48Å; K145-F148 PolarHBondContact O-N 3.43Å; K145-S149 PolarHBondContact O-N 2.82Å
146	Y	94.5	Very high	90.4	Very high	84 Å²	84	43.6 Å²	43.6	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.2	174	-175.6	-92.1	0	0	0	110.8	S149 T150 N298 M300	Y146-S149 PolarHBondContact N-OG 3.35Å; Y146-T150 HydrophobicContact CD2-CG2 3.75Å; Y146-T150 HydrophobicContact CE2-CG2 3.87Å; Y146-N298 HydrophobicContact CD2-CB 3.96Å; Y146-M300 HydrophobicContact CE2-CB 4.45Å; Y146-M300 HydrophobicContact CE2-CE 4.33Å
147	P	95.4	Very high	90.6	Very high	10 Å²	10	42 Å²	42	7%	0.065	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.5	-15.2	6.4	33.9	-35.7	0	0	0	114.9	S149 T150 M300	P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 2.82Å; P147-T150 WeakPolarHBondContact O-CB 3.46Å; P147-T150 WeakPolarHBondContact O-CG2 3.2Å; P147-T150 PolarHBondContact O-N 3.34Å; P147-T150 VanDerWaalsContact O-N 3.14Å; P147-T150 PolarHBondContact O-OG1 3.16Å; P147-M300 HydrophobicContact CB-CE 3.72Å
148	F	96	Very high	91.1	Very high	40 Å²	40	41.7 Å²	41.7	18%	0.175	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.9	-32.4	-172.5	-57.5	-54.4	0	0	0	114.4	I137 Y142 K145 T150 S151 S319 L329 Y331	I137-F148 HydrophobicContact CD1-CB 4.39Å; I137-F148 HydrophobicContact CD1-CD1 3.3Å; I137-F148 HydrophobicContact CD1-CD2 3.83Å; I137-F148 HydrophobicContact CD1-CE1 3.32Å; I137-F148 HydrophobicContact CD1-CE2 3.83Å; I137-F148 HydrophobicContact CD1-CG 3.56Å; I137-F148 HydrophobicContact CD1-CZ 3.59Å; Y142-F148 WeakPolarHBondContact O-CD2 3.32Å; K145-F148 WeakPolarHBondContact O-CA 3.44Å; K145-F148 WeakPolarHBondContact O-CB 3.48Å; K145-F148 PolarHBondContact O-N 3.43Å; F148-T150 PolarHBondContact O-N 3.16Å; F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 3.45Å; F148-S151 VanDerWaalsContact O-N 3.1Å; F148-S319 WeakPolarHBondContact CD1-OG 3.28Å; F148-L329 HydrophobicContact CB-CD2 3.55Å; F148-L329 HydrophobicContact CD1-CD2 4.27Å; F148-L329 HydrophobicContact CG-CD2 4.22Å; F148-Y331 AromaticContact CE1-CD2 3.72Å; F148-Y331 HydrophobicContact CE1-CD2 3.72Å; F148-Y331 HydrophobicContact CE1-CE2 4.38Å; F148-Y331 AromaticContact CE1-CG 3.91Å; F148-Y331 HydrophobicContact CE1-CG 3.91Å; F148-Y331 HydrophobicContact CZ-CD2 4.44Å; F148-Y331 HydrophobicContact CZ-CG 4.43Å
149	S	95.4	Very high	92.2	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.063	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.3	-14.4	176.6	66.4	0	0	0	0	114.6	T144 K145 Y146 P147	T144-S149 VanDerWaalsContact O-CB 3.32Å; T144-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.82Å; Y146-S149 PolarHBondContact N-OG 3.35Å; P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 2.82Å
150	T	97.3	Very high	93.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-80.2	-22.2	178.1	67.5	0	0	0	0	112.2	Y146 P147 F148 L162 N298 M300	Y146-T150 HydrophobicContact CD2-CG2 3.75Å; Y146-T150 HydrophobicContact CE2-CG2 3.87Å; P147-T150 WeakPolarHBondContact O-CB 3.46Å; P147-T150 WeakPolarHBondContact O-CG2 3.2Å; P147-T150 PolarHBondContact O-N 3.34Å; P147-T150 VanDerWaalsContact O-N 3.14Å; P147-T150 PolarHBondContact O-OG1 3.16Å; F148-T150 PolarHBondContact O-N 3.16Å; T150-L162 PolarHBondContact O-N 2.97Å; T150-N298 WeakPolarHBondContact CG2-O 3.38Å; T150-M300 HydrophobicContact CG2-CB 4.4Å
151	S	97.8	Very high	94.3	Very high	8 Å²	8	33 Å²	33	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.5	177.8	-63	0	0	0	0	111.1	F148 G160 S319	F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 3.45Å; F148-S151 VanDerWaalsContact O-N 3.1Å; S151-G160 WeakPolarHBondContact CA-O 3.19Å; S151-S319 WeakPolarHBondContact OG-CB 3.35Å; S151-S319 PolarHBondContact OG-O 3.02Å
152	V	98.1	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.5	-178.7	-52.8	0	0	0	0	111.8	S159 G160 L162 V168 V190 G191 I192 F321	V152-S159 CarbonylContact O-C 3.54Å; V152-S159 VanDerWaalsContact O-CA 3.26Å; V152-S159 WeakPolarHBondContact O-CA 3.27Å; V152-G160 PolarHBondContact N-O 2.84Å; V152-G160 PolarHBondContact O-N 3.01Å; V152-L162 HydrophobicContact CG1-CD1 4.13Å; V152-L162 HydrophobicContact CG1-CG 3.91Å; V152-V168 HydrophobicContact CG2-CG1 3.57Å; V152-V168 HydrophobicContact CG2-CG2 4.17Å; V152-V190 HydrophobicContact CB-CG1 3.5Å; V152-V190 HydrophobicContact CG1-CG1 3.94Å; V152-V190 HydrophobicContact CG2-CG1 3.53Å; V152-G191 WeakPolarHBondContact CA-O 3.01Å; V152-I192 HydrophobicContact CB-CG1 4.45Å; V152-I192 HydrophobicContact CG1-CG1 3.67Å; V152-F321 WeakPolarHBondContact O-CD2 3.38Å
153	K	97.9	Very high	96	Very high	30 Å²	30	22.3 Å²	22.3	13%	0.13	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.7	168.1	-172.7	76.8	176.4	175.7	0	108.7	G157 C158 V190 G191 F258 W260 F321 D323	K153-G157 VanDerWaalsContact CE-O 3.24Å; K153-G157 WeakPolarHBondContact CE-O 3.04Å; K153-G157 PolarHBondContact NZ-O 3.47Å; K153-C158 WeakPolarHBondContact CD-O 3.4Å; K153-V190 CarbonylContact O-C 3.57Å; K153-V190 WeakPolarHBondContact O-CA 3.48Å; K153-G191 PolarHBondContact N-O 3.22Å; K153-G191 PolarHBondContact O-N 2.84Å; K153-F258 HydrophobicContact CB-CD1 4.19Å; K153-F258 HydrophobicContact CB-CE1 3.69Å; K153-F258 HydrophobicContact CB-CZ 3.93Å; K153-F258 HydrophobicContact CG-CZ 4.43Å; K153-W260 HydrophobicContact CB-CH2 4.23Å; K153-W260 HydrophobicContact CG-CH2 4.03Å; K153-W260 WeakPolarHBondContact O-CZ3 3.45Å; K153-F321 HydrophobicContact CB-CD2 3.91Å; K153-F321 HydrophobicContact CB-CE2 4.3Å; K153-F321 HydrophobicContact CB-CG 4.24Å; K153-F321 HydrophobicContact CD-CB 3.48Å; K153-F321 VanDerWaalsContact CD-CB 3.48Å; K153-F321 HydrophobicContact CD-CD2 4.29Å; K153-F321 HydrophobicContact CD-CG 4.02Å; K153-F321 PolarHBondContact NZ-O 3.33Å; K153-D323 IonicContact NZ-OD1 2.71Å; K153-D323 PolarHBondContact NZ-OD1 3.46Å
154	I	97.8	Very high	96.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.9	174.5	-55.6	-177.8	0	0	0	108	T156 G157 C158 S159 T170 L188 L289	I154-T156 WeakPolarHBondContact CG2-OG1 3.34Å; I154-T156 PolarHBondContact O-N 2.9Å; I154-T156 VanDerWaalsContact O-N 3.1Å; I154-G157 PolarHBondContact O-N 3.08Å; I154-C158 HydrophobicContact CB-CB 4.22Å; I154-C158 HydrophobicContact CD1-CB 4.26Å; I154-C158 PolarHBondContact N-O 3.43Å; I154-S159 VanDerWaalsContact CD1-O 3.23Å; I154-S159 WeakPolarHBondContact CD1-O 3.43Å; I154-T170 VanDerWaalsContact CD1-CB 3.47Å; I154-T170 HydrophobicContact CD1-CG2 3.67Å; I154-T170 WeakPolarHBondContact CD1-OG1 3.45Å; I154-L188 HydrophobicContact CG2-CD1 3.56Å; I154-L188 HydrophobicContact CG2-CG 4.35Å; I154-L289 HydrophobicContact CD1-CD1 4.06Å
155	S	96.6	Very high	96.8	Very high	46 Å²	46	24.5 Å²	24.5	32%	0.322	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.8	-175.8	58.9	0	0	0	0	114.7	G157 R189	S155-G157 PolarHBondContact O-N 3.01Å; S155-R189 PolarHBondContact N-O 3.24Å; S155-R189 PolarHBondContact OG-N 2.79Å; S155-R189 PolarHBondContact OG-O 3.21Å
156	T	94.6	Very high	97	Very high	40 Å²	40	23.7 Å²	23.7	25%	0.245	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.4	172.2	52.6	0	0	0	0	113.2	I154 C174 V185 L188	I154-T156 WeakPolarHBondContact CG2-OG1 3.34Å; I154-T156 PolarHBondContact O-N 2.9Å; I154-T156 VanDerWaalsContact O-N 3.1Å; T156-C174 WeakPolarHBondContact CB-O 3.24Å; T156-C174 WeakPolarHBondContact CG2-O 3.38Å; T156-C174 PolarHBondContact OG1-O 3.3Å; T156-V185 HydrophobicContact CG2-CG2 4.09Å; T156-L188 HydrophobicContact CG2-CD1 3.78Å
157	G	93.8	Very high	97.1	Very high	23 Å²	23	20.4 Å²	20.4	24%	0.237	12%	0.119	C	C	.	.	S	Bend	trans	105	-13.8	-176.2	0	0	0	0	0	113.2	K153 I154 S155 G353	K153-G157 VanDerWaalsContact CE-O 3.24Å; K153-G157 WeakPolarHBondContact CE-O 3.04Å; K153-G157 PolarHBondContact NZ-O 3.47Å; I154-G157 PolarHBondContact O-N 3.08Å; S155-G157 PolarHBondContact O-N 3.01Å; G157-G353 WeakPolarHBondContact O-CA 3.23Å
158	C	96.3	Very high	97.3	Very high	12 Å²	12	20 Å²	20	8%	0.081	12%	0.116	C	C	.	.			trans	-77.3	175.8	177.4	-76.7	0	0	0	0	114.9	K153 I154 C174 G353 S355	K153-C158 WeakPolarHBondContact CD-O 3.4Å; I154-C158 HydrophobicContact CB-CB 4.22Å; I154-C158 HydrophobicContact CD1-CB 4.26Å; I154-C158 PolarHBondContact N-O 3.43Å; C158-C174 HydrophobicContact CB-CB 3.52Å; C158-C174 WeakPolarHBondContact CB-SG 3.49Å; C158-C174 VanDerWaalsContact SG-CA 3.55Å; C158-C174 WeakPolarHBondContact SG-CB 3.46Å; C158-C174 CovalentContact SG-SG 2.02Å; C158-C174 PolarHBondContact SG-SG 2.92Å; C158-G353 CarbonylContact C-O 3.42Å; C158-S355 WeakPolarHBondContact CB-O 3.49Å
159	S	98.3	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	173.9	168.7	-64.2	0	0	0	0	111.6	V152 I154 T170 F321 G353 S355 G356 S357	V152-S159 CarbonylContact O-C 3.54Å; V152-S159 VanDerWaalsContact O-CA 3.26Å; V152-S159 WeakPolarHBondContact O-CA 3.27Å; I154-S159 VanDerWaalsContact CD1-O 3.23Å; I154-S159 WeakPolarHBondContact CD1-O 3.43Å; S159-T170 PolarHBondContact O-OG1 2.9Å; S159-F321 PolarHBondContact OG-N 2.87Å; S159-G353 WeakPolarHBondContact CB-O 3.43Å; S159-G353 PolarHBondContact N-O 2.9Å; S159-G353 VanDerWaalsContact N-O 3.09Å; S159-G353 PolarHBondContact OG-O 2.76Å; S159-S355 CarbonylContact C-O 3.47Å; S159-S355 WeakPolarHBondContact CA-O 3.34Å; S159-S355 PolarHBondContact N-O 3.16Å; S159-S355 VanDerWaalsContact O-O 3.12Å; S159-G356 CarbonylContact O-C 3.45Å; S159-G356 WeakPolarHBondContact O-CA 3.27Å; S159-S357 WeakPolarHBondContact CB-OG 3.35Å
160	G	98.4	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	177.3	178.2	0	0	0	0	0	111.4	S151 V152 L169 G356	S151-G160 WeakPolarHBondContact CA-O 3.19Å; V152-G160 PolarHBondContact N-O 2.84Å; V152-G160 PolarHBondContact O-N 3.01Å; G160-L169 WeakPolarHBondContact CA-O 3.37Å; G160-G356 VanDerWaalsContact CA-O 3.29Å; G160-G356 WeakPolarHBondContact CA-O 3.41Å
161	V	98.8	Very high	97.6	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138	173.2	63.5	0	0	0	0	111.8	V163 V168 L169 I375	V161-V163 HydrophobicContact CG1-CG1 3.96Å; V161-V163 PolarHBondContact O-N 3.03Å; V161-V168 CarbonylContact O-C 3.35Å; V161-V168 VanDerWaalsContact O-CA 3.26Å; V161-V168 WeakPolarHBondContact O-CA 3.49Å; V161-L169 HydrophobicContact CG1-CB 3.99Å; V161-L169 PolarHBondContact N-O 3.06Å; V161-L169 PolarHBondContact O-N 2.97Å; V161-I375 HydrophobicContact CB-CD1 4.33Å; V161-I375 HydrophobicContact CG1-CD1 4.04Å; V161-I375 HydrophobicContact CG1-CG1 4.29Å; V161-I375 HydrophobicContact CG2-CD1 3.64Å; V161-I375 HydrophobicContact CG2-CG1 4.27Å
162	L	98.6	Very high	97.6	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.9	171.1	-75.5	165.3	0	0	0	110.5	T150 V152 V168 I192 L291 P295 V297 H299 M300	T150-L162 PolarHBondContact O-N 2.97Å; V152-L162 HydrophobicContact CG1-CD1 4.13Å; V152-L162 HydrophobicContact CG1-CG 3.91Å; L162-V168 HydrophobicContact CD2-CG2 3.6Å; L162-V168 HydrophobicContact CG-CG2 4.25Å; L162-I192 HydrophobicContact CD1-CD1 4.06Å; L162-I192 HydrophobicContact CD1-CG1 4.44Å; L162-L291 HydrophobicContact CD2-CD1 3.97Å; L162-P295 HydrophobicContact CD1-CG 3.93Å; L162-P295 HydrophobicContact CD2-CG 4.13Å; L162-V297 HydrophobicContact CD1-CG2 3.32Å; L162-H299 HydrophobicContact CB-CB 4.06Å; L162-H299 WeakPolarHBondContact O-CA 3.27Å; L162-H299 WeakPolarHBondContact O-CB 3.04Å; L162-M300 PolarHBondContact O-N 3.2Å
163	V	98.1	Very high	97.5	Very high	12 Å²	12	18.4 Å²	18.4	7%	0.073	11%	0.107	C	C	.	.			trans	-108	-9	179.6	-60.6	0	0	0	0	113.2	V161 H167 L169 M300 L302 I375 V414	V161-V163 HydrophobicContact CG1-CG1 3.96Å; V161-V163 PolarHBondContact O-N 3.03Å; V163-H167 HydrophobicContact CG2-CB 4.15Å; V163-H167 PolarHBondContact N-O 2.86Å; V163-L169 HydrophobicContact CG1-CB 3.7Å; V163-L169 HydrophobicContact CG1-CD2 4.28Å; V163-L169 HydrophobicContact CG2-CB 4.28Å; V163-M300 WeakPolarHBondContact CA-O 3.4Å; V163-L302 HydrophobicContact CB-CD2 4.03Å; V163-L302 HydrophobicContact CB-CG 4.48Å; V163-L302 HydrophobicContact CG1-CD2 3.63Å; V163-I375 HydrophobicContact CG1-CG1 4.41Å; V163-V414 HydrophobicContact CG2-CG2 4.38Å
164	S	97.5	Very high	97.4	Very high	9 Å²	9	17 Å²	17	6%	0.063	10%	0.102	C	C	.	.	S	Bend	trans	-154.3	178.9	169.5	77.1	0	0	0	0	109.6	K166 H167	S164-K166 PolarHBondContact O-N 2.94Å; S164-K166 PolarHBondContact OG-N 3.38Å; S164-H167 PolarHBondContact N-O 2.86Å; S164-H167 WeakPolarHBondContact OG-CB 3.19Å; S164-H167 VanDerWaalsContact OG-CG 3.29Å; S164-H167 PolarHBondContact OG-N 3.02Å; S164-H167 PolarHBondContact OG-ND1 2.85Å
165	P	97.4	Very high	97.3	Very high	71 Å²	71	17 Å²	17	46%	0.461	10%	0.102	S	C	.	.	S	Bend	trans	-58.3	-20.8	177.8	-26.5	36.2	0	0	0	115	A294 P295	P165-A294 HydrophobicContact CB-CB 4.48Å; P165-A294 VanDerWaalsContact O-CA 3.27Å; P165-A294 WeakPolarHBondContact O-CA 3.27Å; P165-A294 VanDerWaalsContact O-CB 3.3Å; P165-A294 WeakPolarHBondContact O-CB 3.47Å; P165-P295 VanDerWaalsContact O-CD 3.31Å; P165-P295 WeakPolarHBondContact O-CD 3.41Å
166	K	97.6	Very high	97.3	Very high	95 Å²	95	14.8 Å²	14.8	41%	0.413	9%	0.086	S	C	.	.	S	Bend	trans	-133.5	-0	-178.3	-69.7	-176.2	-176.2	172.5	0	114.3	S164 E290 L291 A294	S164-K166 PolarHBondContact O-N 2.94Å; S164-K166 PolarHBondContact OG-N 3.38Å; K166-E290 CarbonylContact O-C 3.46Å; K166-L291 WeakPolarHBondContact O-CB 3.43Å; K166-L291 WeakPolarHBondContact O-CG 3.34Å; K166-L291 PolarHBondContact O-N 3.16Å; K166-A294 HydrophobicContact CD-CB 4.45Å; K166-A294 HydrophobicContact CG-CB 3.69Å
167	H	98.6	Very high	97.2	Very high	16 Å²	16	14.3 Å²	14.3	7%	0.074	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.1	-175	-57.6	88.7	0	0	0	111.5	V163 S164 V288 L289 V414	V163-H167 HydrophobicContact CG2-CB 4.15Å; V163-H167 PolarHBondContact N-O 2.86Å; S164-H167 PolarHBondContact N-O 2.86Å; S164-H167 WeakPolarHBondContact OG-CB 3.19Å; S164-H167 VanDerWaalsContact OG-CG 3.29Å; S164-H167 PolarHBondContact OG-N 3.02Å; S164-H167 PolarHBondContact OG-ND1 2.85Å; H167-V288 HydrophobicContact CB-CG1 4.09Å; H167-L289 WeakPolarHBondContact CA-O 3.45Å; H167-V414 HydrophobicContact CB-CG2 3.88Å; H167-V414 PolarHBondContact CE1-O 2.7Å
168	V	98.8	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.6	174.8	172.6	0	0	0	0	108.4	V152 V161 L162 V190 V288 L289 L291	V152-V168 HydrophobicContact CG2-CG1 3.57Å; V152-V168 HydrophobicContact CG2-CG2 4.17Å; V161-V168 CarbonylContact O-C 3.35Å; V161-V168 VanDerWaalsContact O-CA 3.26Å; V161-V168 WeakPolarHBondContact O-CA 3.49Å; L162-V168 HydrophobicContact CD2-CG2 3.6Å; L162-V168 HydrophobicContact CG-CG2 4.25Å; V168-V190 HydrophobicContact CG2-CG1 4.11Å; V168-V288 WeakPolarHBondContact O-CA 3.38Å; V168-L289 HydrophobicContact CB-CB 4.23Å; V168-L289 PolarHBondContact N-O 3.4Å; V168-L289 PolarHBondContact O-N 2.76Å; V168-L291 HydrophobicContact CG2-CD1 4.03Å; V168-L291 HydrophobicContact CG2-CD2 4.17Å; V168-L291 HydrophobicContact CG2-CG 4.21Å
169	L	98.9	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.1	168.3	-176	65.3	0	0	0	108.9	G160 V161 V163 V288 L302 I375 V378 I402 I410	G160-L169 WeakPolarHBondContact CA-O 3.37Å; V161-L169 HydrophobicContact CG1-CB 3.99Å; V161-L169 PolarHBondContact N-O 3.06Å; V161-L169 PolarHBondContact O-N 2.97Å; V163-L169 HydrophobicContact CG1-CB 3.7Å; V163-L169 HydrophobicContact CG1-CD2 4.28Å; V163-L169 HydrophobicContact CG2-CB 4.28Å; L169-V288 HydrophobicContact CD1-CG2 3.88Å; L169-L302 HydrophobicContact CD2-CD2 4.23Å; L169-I375 HydrophobicContact CD2-CG2 4.22Å; L169-V378 HydrophobicContact CD1-CG2 4.01Å; L169-V378 HydrophobicContact CD2-CG2 3.42Å; L169-V378 VanDerWaalsContact CD2-CG2 3.42Å; L169-V378 HydrophobicContact CG-CG2 3.51Å; L169-I402 HydrophobicContact CD2-CD1 4Å; L169-I410 HydrophobicContact CD1-CD1 3.93Å; L169-I410 HydrophobicContact CD1-CG1 4.46Å; L169-I410 HydrophobicContact CD2-CD1 4.45Å
170	T	98.7	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	179.2	178.7	-171	0	0	0	0	110.2	I154 S159 I175 Y286 A287 L289 G356	I154-T170 VanDerWaalsContact CD1-CB 3.47Å; I154-T170 HydrophobicContact CD1-CG2 3.67Å; I154-T170 WeakPolarHBondContact CD1-OG1 3.45Å; S159-T170 PolarHBondContact O-OG1 2.9Å; T170-I175 HydrophobicContact CG2-CD1 3.76Å; T170-Y286 CarbonylContact O-C 3.6Å; T170-Y286 VanDerWaalsContact O-CA 3.31Å; T170-Y286 WeakPolarHBondContact O-CA 3.38Å; T170-A287 HydrophobicContact CG2-CB 4.31Å; T170-A287 PolarHBondContact N-O 3.39Å; T170-A287 PolarHBondContact O-N 3.22Å; T170-L289 HydrophobicContact CG2-CD1 4.13Å; T170-L289 HydrophobicContact CG2-CG 4.21Å; T170-G356 WeakPolarHBondContact OG1-CA 2.99Å
171	A	97.7	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.			trans	-79	148.2	175.9	0	0	0	0	0	110.6	H173 C174 D285 G356 V378	A171-H173 WeakPolarHBondContact CB-CE1 3.26Å; A171-H173 WeakPolarHBondContact CB-ND1 3.29Å; A171-C174 WeakPolarHBondContact O-CB 3.19Å; A171-C174 PolarHBondContact O-N 3.39Å; A171-D285 WeakPolarHBondContact CA-O 3.34Å; A171-G356 VanDerWaalsContact N-CA 3.34Å; A171-V378 HydrophobicContact CB-CG1 4.32Å
172	A	97.1	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-70.6	-38	-179.3	0	0	0	0	0	111.6	C174 I175 H176 I268 W272 D285 A287	A172-C174 PolarHBondContact O-N 3.27Å; A172-C174 VanDerWaalsContact O-N 3.09Å; A172-I175 PolarHBondContact O-N 2.95Å; A172-H176 PolarHBondContact O-N 2.92Å; A172-I268 HydrophobicContact CB-CG2 3.98Å; A172-W272 HydrophobicContact CB-CB 4.24Å; A172-W272 HydrophobicContact CB-CD2 3.61Å; A172-W272 HydrophobicContact CB-CE3 4.18Å; A172-W272 HydrophobicContact CB-CG 3.57Å; A172-D285 WeakPolarHBondContact CA-OD1 3.49Å; A172-D285 WeakPolarHBondContact CB-OD1 3.36Å; A172-D285 PolarHBondContact N-OD1 2.77Å; A172-A287 HydrophobicContact CB-CB 4.45Å
173	H	95.4	Very high	96.2	Very high	26 Å²	26	27 Å²	27	12%	0.12	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.3	178.3	75.5	-94.4	0	0	0	113.1	L63 A171 I175 H176 L182 W272 D285 S355 S380	L63-H173 HydrophobicContact CD2-CB 4.46Å; A171-H173 WeakPolarHBondContact CB-CE1 3.26Å; A171-H173 WeakPolarHBondContact CB-ND1 3.29Å; H173-I175 PolarHBondContact O-N 2.96Å; H173-I175 VanDerWaalsContact O-N 3.17Å; H173-H176 WeakPolarHBondContact CA-O 3.42Å; H173-L182 WeakPolarHBondContact O-CD1 3.39Å; H173-W272 HydrophobicContact CB-CH2 3.59Å; H173-W272 HydrophobicContact CB-CZ2 3.56Å; H173-D285 IonicContact CE1-OD2 3.62Å; H173-D285 PolarHBondContact CE1-OD2 2.87Å; H173-D285 IonicContact CG-OD1 2.9Å; H173-D285 IonicContact CG-OD2 2.91Å; H173-D285 PolarHBondContact N-OD1 3.37Å; H173-D285 VanDerWaalsContact ND1-CG 3.28Å; H173-D285 IonicContact ND1-OD1 3.28Å; H173-D285 PolarHBondContact ND1-OD1 2.73Å; H173-D285 VanDerWaalsContact ND1-OD1 3.08Å; H173-D285 IonicContact ND1-OD2 3.7Å; H173-D285 PolarHBondContact ND1-OD2 3.1Å; H173-S355 VanDerWaalsContact NE2-CB 3.27Å; H173-S355 WeakPolarHBondContact NE2-CB 3.46Å; H173-S355 PolarHBondContact NE2-OG 3.14Å; H173-S380 PolarHBondContact CE1-O 2.94Å
174	C	95.8	Very high	95.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.3	173.1	-69.1	0	0	0	0	113.7	T156 C158 A171 A172	T156-C174 WeakPolarHBondContact CB-O 3.24Å; T156-C174 WeakPolarHBondContact CG2-O 3.38Å; T156-C174 PolarHBondContact OG1-O 3.3Å; C158-C174 HydrophobicContact CB-CB 3.52Å; C158-C174 WeakPolarHBondContact CB-SG 3.49Å; C158-C174 VanDerWaalsContact SG-CA 3.55Å; C158-C174 WeakPolarHBondContact SG-CB 3.46Å; C158-C174 CovalentContact SG-SG 2.02Å; C158-C174 PolarHBondContact SG-SG 2.92Å; A171-C174 WeakPolarHBondContact O-CB 3.19Å; A171-C174 PolarHBondContact O-N 3.39Å; A172-C174 PolarHBondContact O-N 3.27Å; A172-C174 VanDerWaalsContact O-N 3.09Å
175	I	96.6	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.6	-25.6	-170.4	-51.3	156.3	0	0	0	112.4	T170 A172 H173 Y181 L182 V185 T266 I268 A287 L289	T170-I175 HydrophobicContact CG2-CD1 3.76Å; A172-I175 PolarHBondContact O-N 2.95Å; H173-I175 PolarHBondContact O-N 2.96Å; H173-I175 VanDerWaalsContact O-N 3.17Å; I175-Y181 HydrophobicContact CG2-CD1 4.06Å; I175-Y181 HydrophobicContact CG2-CE1 4.42Å; I175-Y181 WeakPolarHBondContact O-CA 3.41Å; I175-L182 PolarHBondContact O-N 3.47Å; I175-V185 HydrophobicContact CB-CG2 4.49Å; I175-V185 HydrophobicContact CG2-CB 4.31Å; I175-V185 HydrophobicContact CG2-CG1 3.51Å; I175-V185 HydrophobicContact CG2-CG2 3.79Å; I175-T266 HydrophobicContact CD1-CG2 4.06Å; I175-T266 HydrophobicContact CG2-CG2 3.88Å; I175-I268 HydrophobicContact CB-CD1 4.26Å; I175-I268 HydrophobicContact CG2-CD1 4.18Å; I175-A287 HydrophobicContact CD1-CB 3.6Å; I175-L289 HydrophobicContact CD1-CD2 3.62Å; I175-L289 HydrophobicContact CD1-CG 4.38Å
176	H	95.8	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-148.6	136.8	-173.4	-171.4	-91.2	0	0	0	111.1	A172 H173 G178 K179 D180 Y181 I268 W272 F273	A172-H176 PolarHBondContact O-N 2.92Å; H173-H176 WeakPolarHBondContact CA-O 3.42Å; H176-G178 VanDerWaalsContact C-N 3.32Å; H176-G178 VanDerWaalsContact ND1-CA 3.34Å; H176-G178 WeakPolarHBondContact ND1-CA 3.41Å; H176-G178 PolarHBondContact ND1-N 3.03Å; H176-G178 PolarHBondContact O-N 2.97Å; H176-K179 PolarHBondContact CE1-N 3.01Å; H176-K179 VanDerWaalsContact CE1-N 3.33Å; H176-D180 WeakPolarHBondContact CA-O 3.27Å; H176-D180 PolarHBondContact CD2-O 2.86Å; H176-D180 PolarHBondContact NE2-N 2.92Å; H176-Y181 AromaticContact CD2-CD2 3.56Å; H176-Y181 AromaticContact CD2-CE2 3.62Å; H176-Y181 AromaticContact CD2-CG 3.8Å; H176-Y181 AromaticContact CD2-CZ 3.94Å; H176-Y181 PolarHBondContact CD2-N 3.37Å; H176-I268 HydrophobicContact CB-CD1 3.56Å; H176-W272 AromaticContact CG-NE1 3.91Å; H176-W272 AromaticContact ND1-CD1 3.47Å; H176-W272 AromaticContact ND1-NE1 3.39Å; H176-W272 PolarHBondContact ND1-NE1 2.87Å; H176-W272 VanDerWaalsContact O-CZ2 3.22Å; H176-W272 WeakPolarHBondContact O-CZ2 3.44Å; H176-W272 PolarHBondContact O-NE1 2.87Å; H176-F273 AromaticContact CE1-CD1 3.51Å; H176-F273 AromaticContact CE1-CE1 3.26Å; H176-F273 WeakPolarHBondContact CE1-CE1 3.47Å; H176-F273 AromaticContact CE1-CZ 3.78Å; H176-F273 AromaticContact NE2-CE1 3.36Å; H176-F273 WeakPolarHBondContact NE2-CE1 3.42Å; H176-F273 AromaticContact NE2-CZ 3.84Å
177	D	92.9	Very high	95.4	Very high	29 Å²	29	31.4 Å²	31.4	16%	0.155	16%	0.159	C	C	.	.			trans	-91.1	7.2	-175.9	77.5	-16.4	0	0	0	114.5	A57 Q60 K179 D180 L182 K274	A57-D177 HydrophobicContact CB-CB 3.98Å; Q60-D177 HydrophobicContact CG-CB 4.36Å; D177-K179 WeakPolarHBondContact OD1-CA 3.29Å; D177-K179 PolarHBondContact OD1-N 2.93Å; D177-D180 PolarHBondContact N-O 3Å; D177-D180 PolarHBondContact OD1-N 2.88Å; D177-D180 VanDerWaalsContact OD1-O 3.09Å; D177-L182 HydrophobicContact CB-CD2 4.27Å; D177-K274 VanDerWaalsContact O-CE 3.23Å; D177-K274 WeakPolarHBondContact O-CE 3.45Å; D177-K274 PolarHBondContact O-NZ 2.93Å
178	G	91.8	Very high	95.3	Very high	4 Å²	4	30.8 Å²	30.8	4%	0.041	16%	0.156	C	C	.	.	S	Bend	trans	93.5	-8.4	-174.9	0	0	0	0	0	114	H176 K274	H176-G178 VanDerWaalsContact C-N 3.32Å; H176-G178 VanDerWaalsContact ND1-CA 3.34Å; H176-G178 WeakPolarHBondContact ND1-CA 3.41Å; H176-G178 PolarHBondContact ND1-N 3.03Å; H176-G178 PolarHBondContact O-N 2.97Å; G178-K274 PolarHBondContact O-N 2.87Å
179	K	92.8	Very high	95.2	Very high	155 Å²	155	36.7 Å²	36.7	67%	0.674	18%	0.178	S	C	*	.	S	Bend	trans	-122.8	-46.8	172.9	-64.3	-177.3	177.5	-177.4	0	112.9	H176 D177 K274	H176-K179 PolarHBondContact CE1-N 3.01Å; H176-K179 VanDerWaalsContact CE1-N 3.33Å; D177-K179 WeakPolarHBondContact OD1-CA 3.29Å; D177-K179 PolarHBondContact OD1-N 2.93Å; K179-K274 HydrophobicContact CD-CD 4.48Å; K179-K274 HydrophobicContact CG-CD 4.05Å
180	D	94.7	Very high	95.2	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.112	18%	0.178	C	C	.	.	S	Bend	trans	-138	164.7	179.4	-170.5	33.7	0	0	0	111.9	P53 S54 F55 A56 A57 H176 D177	P53-D180 WeakPolarHBondContact CB-OD1 3.31Å; S54-D180 WeakPolarHBondContact CB-OD2 3.33Å; S54-D180 PolarHBondContact N-OD1 3.03Å; S54-D180 PolarHBondContact OG-OD2 3.44Å; F55-D180 PolarHBondContact N-OD2 2.73Å; A56-D180 PolarHBondContact N-OD2 2.88Å; A56-D180 VanDerWaalsContact N-OD2 3.09Å; A57-D180 HydrophobicContact CB-CB 4.21Å; H176-D180 WeakPolarHBondContact CA-O 3.27Å; H176-D180 PolarHBondContact CD2-O 2.86Å; H176-D180 PolarHBondContact NE2-N 2.92Å; D177-D180 PolarHBondContact N-O 3Å; D177-D180 PolarHBondContact OD1-N 2.88Å; D177-D180 VanDerWaalsContact OD1-O 3.09Å
181	Y	96.1	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-73.2	144.4	175.4	-71	-97.1	0	0	0	110.7	P53 F55 A56 A57 E90 V92 I175 H176 V185 I268	P53-Y181 HydrophobicContact CB-CD2 3.7Å; P53-Y181 HydrophobicContact CB-CG 4.3Å; P53-Y181 HydrophobicContact CG-CD2 3.64Å; P53-Y181 HydrophobicContact CG-CE2 4.05Å; P53-Y181 HydrophobicContact CG-CG 4.35Å; F55-Y181 CarbonylContact C-O 3.59Å; F55-Y181 VanDerWaalsContact CA-O 3.28Å; F55-Y181 WeakPolarHBondContact CA-O 3.38Å; F55-Y181 HydrophobicContact CD1-CG 4.49Å; F55-Y181 HydrophobicContact CE1-CG 4.24Å; A56-Y181 PolarHBondContact N-O 3.05Å; A57-Y181 WeakPolarHBondContact CB-O 3.37Å; A57-Y181 PolarHBondContact N-O 2.69Å; E90-Y181 WeakPolarHBondContact CB-OH 3.43Å; V92-Y181 HydrophobicContact CB-CE1 4.05Å; V92-Y181 HydrophobicContact CG2-CD1 4.16Å; V92-Y181 HydrophobicContact CG2-CD2 4.11Å; V92-Y181 HydrophobicContact CG2-CE1 3.56Å; V92-Y181 HydrophobicContact CG2-CE2 3.54Å; V92-Y181 HydrophobicContact CG2-CG 4.4Å; V92-Y181 WeakPolarHBondContact CG2-OH 3.47Å; I175-Y181 HydrophobicContact CG2-CD1 4.06Å; I175-Y181 HydrophobicContact CG2-CE1 4.42Å; I175-Y181 WeakPolarHBondContact O-CA 3.41Å; H176-Y181 AromaticContact CD2-CD2 3.56Å; H176-Y181 AromaticContact CD2-CE2 3.62Å; H176-Y181 AromaticContact CD2-CG 3.8Å; H176-Y181 AromaticContact CD2-CZ 3.94Å; H176-Y181 PolarHBondContact CD2-N 3.37Å; Y181-V185 HydrophobicContact CD1-CG1 4.02Å; Y181-I268 HydrophobicContact CD1-CD1 4.4Å; Y181-I268 HydrophobicContact CE1-CD1 3.65Å
182	L	95.6	Very high	95	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-66.4	154.5	179.2	-59.5	-176.1	0	0	0	112	A57 H58 P59 H173 I175 D177 V185	A57-L182 HydrophobicContact CB-CD2 3.83Å; A57-L182 WeakPolarHBondContact O-CA 3.17Å; H58-L182 VanDerWaalsContact C-CD2 3.46Å; H58-L182 WeakPolarHBondContact O-CD2 3.48Å; P59-L182 HydrophobicContact CB-CD1 4.47Å; P59-L182 HydrophobicContact CG-CD1 4.28Å; H173-L182 WeakPolarHBondContact O-CD1 3.39Å; I175-L182 PolarHBondContact O-N 3.47Å; D177-L182 HydrophobicContact CB-CD2 4.27Å; L182-V185 HydrophobicContact CB-CG2 3.81Å; L182-V185 VanDerWaalsContact O-CB 3.28Å; L182-V185 WeakPolarHBondContact O-CB 3.26Å; L182-V185 VanDerWaalsContact O-CG2 3.23Å; L182-V185 WeakPolarHBondContact O-CG2 3.46Å; L182-V185 PolarHBondContact O-N 2.91Å
183	D	93.1	Very high	94.8	Very high	123 Å²	123	37.4 Å²	37.4	66%	0.658	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	144.2	169.1	-178.7	40.2	0	0	0	111.7	F55 A57 V185	F55-D183 VanDerWaalsContact O-CA 3.3Å; F55-D183 WeakPolarHBondContact O-CA 3.26Å; A57-D183 PolarHBondContact O-N 3.02Å; D183-V185 PolarHBondContact O-N 2.87Å
184	G	90.7	Very high	94.5	Very high	35 Å²	35	38.6 Å²	38.6	36%	0.361	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-10.3	-178.2	0	0	0	0	0	115.4	Q186 K187 L188	G184-Q186 VanDerWaalsContact C-N 3.27Å; G184-Q186 PolarHBondContact O-N 3.12Å; G184-K187 CarbonylContact O-C 3.52Å; G184-K187 PolarHBondContact O-N 2.96Å; G184-L188 PolarHBondContact O-N 3.33Å
185	V	94.3	Very high	94	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64	-31.3	178.6	170.5	0	0	0	0	112.4	F55 T156 I175 Y181 L182 D183 K187 L188	F55-V185 HydrophobicContact CD1-CB 4.13Å; F55-V185 HydrophobicContact CD1-CG1 4.47Å; F55-V185 HydrophobicContact CE1-CB 4.35Å; F55-V185 HydrophobicContact CE1-CG1 4.21Å; T156-V185 HydrophobicContact CG2-CG2 4.09Å; I175-V185 HydrophobicContact CB-CG2 4.49Å; I175-V185 HydrophobicContact CG2-CB 4.31Å; I175-V185 HydrophobicContact CG2-CG1 3.51Å; I175-V185 HydrophobicContact CG2-CG2 3.79Å; Y181-V185 HydrophobicContact CD1-CG1 4.02Å; L182-V185 HydrophobicContact CB-CG2 3.81Å; L182-V185 VanDerWaalsContact O-CB 3.28Å; L182-V185 WeakPolarHBondContact O-CB 3.26Å; L182-V185 VanDerWaalsContact O-CG2 3.23Å; L182-V185 WeakPolarHBondContact O-CG2 3.46Å; L182-V185 PolarHBondContact O-N 2.91Å; D183-V185 PolarHBondContact O-N 2.87Å; V185-K187 PolarHBondContact O-N 2.99Å; V185-K187 VanDerWaalsContact O-N 3.08Å; V185-L188 WeakPolarHBondContact O-CB 3.39Å; V185-L188 PolarHBondContact O-N 3.48Å
186	Q	92.8	Very high	92.7	Very high	97 Å²	97	49.6 Å²	49.6	45%	0.453	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-56.8	-28.5	173.6	-164	-169.7	39	0	0	112.3	F55 G184	F55-Q186 HydrophobicContact CD1-CB 4.09Å; F55-Q186 HydrophobicContact CD2-CB 4.2Å; F55-Q186 HydrophobicContact CD2-CG 4.47Å; F55-Q186 HydrophobicContact CE1-CB 4.05Å; F55-Q186 HydrophobicContact CE2-CB 4.15Å; F55-Q186 HydrophobicContact CE2-CG 4.09Å; F55-Q186 HydrophobicContact CG-CB 4.16Å; F55-Q186 HydrophobicContact CZ-CB 4.07Å; F55-Q186 HydrophobicContact CZ-CG 4.18Å; G184-Q186 VanDerWaalsContact C-N 3.27Å; G184-Q186 PolarHBondContact O-N 3.12Å
187	K	94.6	Very high	91	Very high	141 Å²	141	54.5 Å²	54.5	61%	0.613	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-114.9	29.9	178.8	-63.2	173.7	-173.4	165.2	0	111.6	G184 V185 R189	G184-K187 CarbonylContact O-C 3.52Å; G184-K187 PolarHBondContact O-N 2.96Å; V185-K187 PolarHBondContact O-N 2.99Å; V185-K187 VanDerWaalsContact O-N 3.08Å; K187-R189 PolarHBondContact O-N 3.36Å
188	L	97.1	Very high	89.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	30%	0.295	C	S	.	.			trans	-55.4	134.6	-174.9	-167.7	63.9	0	0	0	112.1	I154 T156 G184 V185 V263 L289	I154-L188 HydrophobicContact CG2-CD1 3.56Å; I154-L188 HydrophobicContact CG2-CG 4.35Å; T156-L188 HydrophobicContact CG2-CD1 3.78Å; G184-L188 PolarHBondContact O-N 3.33Å; V185-L188 WeakPolarHBondContact O-CB 3.39Å; V185-L188 PolarHBondContact O-N 3.48Å; L188-V263 HydrophobicContact CB-CB 4.19Å; L188-V263 HydrophobicContact CB-CG2 4.06Å; L188-V263 HydrophobicContact CD2-CB 4.35Å; L188-V263 HydrophobicContact CD2-CG1 4.48Å; L188-V263 HydrophobicContact CD2-CG2 3.88Å; L188-V263 HydrophobicContact CG-CB 4.4Å; L188-V263 HydrophobicContact CG-CG2 3.8Å; L188-V263 PolarHBondContact O-N 2.72Å; L188-L289 HydrophobicContact CD2-CD1 3.93Å; L188-L289 HydrophobicContact CD2-CD2 3.71Å; L188-L289 HydrophobicContact CD2-CG 4.46Å
189	R	97.8	Very high	87.2	Confident	123 Å²	123	73.2 Å²	73.2	46%	0.464	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.9	177	-66	173.2	-70.2	178.4	0.2	110.3	S155 K187 W260 T261 R262	S155-R189 PolarHBondContact N-O 3.24Å; S155-R189 PolarHBondContact OG-N 2.79Å; S155-R189 PolarHBondContact OG-O 3.21Å; K187-R189 PolarHBondContact O-N 3.36Å; R189-W260 HydrophobicContact CB-CE3 3.69Å; R189-W260 HydrophobicContact CB-CZ3 4.35Å; R189-T261 CarbonylContact C-O 3.6Å; R189-T261 VanDerWaalsContact CA-O 3.29Å; R189-T261 WeakPolarHBondContact CA-O 3.23Å; R189-R262 HydrophobicContact CG-CG 4.15Å
190	V	98.3	Very high	85	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.8	172.6	176.5	0	0	0	0	109.5	V152 K153 V168 W260 T261 V263 L289 L291	V152-V190 HydrophobicContact CB-CG1 3.5Å; V152-V190 HydrophobicContact CG1-CG1 3.94Å; V152-V190 HydrophobicContact CG2-CG1 3.53Å; K153-V190 CarbonylContact O-C 3.57Å; K153-V190 WeakPolarHBondContact O-CA 3.48Å; V168-V190 HydrophobicContact CG2-CG1 4.11Å; V190-W260 VanDerWaalsContact C-CE3 3.42Å; V190-W260 CarbonylContact O-C 3.59Å; V190-W260 WeakPolarHBondContact O-CA 3.45Å; V190-T261 PolarHBondContact N-O 2.78Å; V190-T261 PolarHBondContact O-N 2.81Å; V190-V263 HydrophobicContact CG2-CG2 3.93Å; V190-L289 HydrophobicContact CG2-CD1 3.94Å; V190-L291 HydrophobicContact CB-CD2 3.72Å; V190-L291 HydrophobicContact CG1-CD2 4.34Å; V190-L291 HydrophobicContact CG2-CD2 3.66Å
191	G	97.2	Very high	82.7	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.4	-179	0	0	0	0	0	110.9	V152 K153 W260	V152-G191 WeakPolarHBondContact CA-O 3.01Å; K153-G191 PolarHBondContact N-O 3.22Å; K153-G191 PolarHBondContact O-N 2.84Å; G191-W260 VanDerWaalsContact CA-CE3 3.41Å; G191-W260 VanDerWaalsContact N-CZ3 3.28Å
192	I	95.4	Very high	80.2	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.015	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	176	-65.5	158.9	0	0	0	108.6	V152 L162 K194 F258 K259 P295 V297	V152-I192 HydrophobicContact CB-CG1 4.45Å; V152-I192 HydrophobicContact CG1-CG1 3.67Å; L162-I192 HydrophobicContact CD1-CD1 4.06Å; L162-I192 HydrophobicContact CD1-CG1 4.44Å; I192-K194 HydrophobicContact CG2-CG 4.34Å; I192-K194 PolarHBondContact O-N 2.82Å; I192-F258 WeakPolarHBondContact O-CA 3.32Å; I192-K259 PolarHBondContact N-O 2.97Å; I192-K259 VanDerWaalsContact N-O 3.11Å; I192-K259 PolarHBondContact O-N 3.41Å; I192-P295 HydrophobicContact CD1-CB 3.18Å; I192-P295 HydrophobicContact CD1-CG 3.34Å; I192-V297 HydrophobicContact CG2-CG1 4.04Å; I192-V297 HydrophobicContact CG2-CG2 4.38Å
193	L	92.7	Very high	77.5	Confident	13 Å²	13	86.4 Å²	86.4	7%	0.068	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122	-179.7	-161.9	67.1	0	0	0	109.9	P256 F258 F321 L329	L193-P256 HydrophobicContact CD1-CB 3.74Å; L193-P256 HydrophobicContact CD2-CB 4.2Å; L193-P256 HydrophobicContact CG-CB 3.72Å; L193-F258 HydrophobicContact CB-CE1 4.47Å; L193-F258 HydrophobicContact CD1-CD1 4.24Å; L193-F258 HydrophobicContact CD1-CE1 4.08Å; L193-F258 HydrophobicContact CD1-CZ 4.38Å; L193-F321 HydrophobicContact CB-CZ 4.43Å; L193-L329 HydrophobicContact CD2-CB 4.49Å
194	K	88.6	Confident	75.2	Confident	51 Å²	51	92.6 Å²	92.6	22%	0.222	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.8	178.1	-68.5	-157.6	171.9	-140.7	0	111.8	I192 P256 S257 K259 K296	I192-K194 HydrophobicContact CG2-CG 4.34Å; I192-K194 PolarHBondContact O-N 2.82Å; K194-P256 WeakPolarHBondContact O-CA 3.39Å; K194-S257 PolarHBondContact N-O 3.18Å; K194-S257 PolarHBondContact O-N 2.72Å; K194-K259 HydrophobicContact CD-CB 4.25Å; K194-K259 HydrophobicContact CD-CD 3.99Å; K194-K259 HydrophobicContact CG-CB 4.34Å; K194-K296 PolarHBondContact NZ-O 2.84Å; K194-K296 VanDerWaalsContact NZ-O 3.1Å
195	E	84.6	Confident	72.8	Confident	106 Å²	106	94.7 Å²	94.7	50%	0.495	50%	0.496	S	S	.	.			trans	-63.5	140.6	168	-59.5	-169.6	158	0	0	110.2	K140 T144 S197	K140-E195 HydrophobicContact CB-CG 4.45Å; T144-E195 HydrophobicContact CG2-CG 3.92Å; E195-S197 PolarHBondContact O-N 3.08Å; E195-S197 VanDerWaalsContact O-N 3.16Å
196	K	70.6	Confident	70.1	Confident	127 Å²	127	104.5 Å²	104.5	55%	0.552	54%	0.539	S	S	*	.			trans	-72.3	107.8	173.9	-71.6	-174	178.5	-178.2	0	109.4	R198 K255	K196-R198 PolarHBondContact O-N 3.23Å; K196-K255 WeakPolarHBondContact CE-O 3.32Å
197	S	59.4	Low	67.4	Low	102 Å²	102	103.7 Å²	103.7	71%	0.713	56%	0.556	S	S	*	*			trans	-71.5	126.9	170.9	62.1	0	0	0	0	110.4	E195 R199	E195-S197 PolarHBondContact O-N 3.08Å; E195-S197 VanDerWaalsContact O-N 3.16Å; S197-R199 PolarHBondContact O-N 3.43Å
198	R	54.9	Low	64.6	Low	181 Å²	181	100.7 Å²	100.7	68%	0.683	57%	0.565	S	S	*	*			trans	-71.3	29.1	176.3	-72.7	-173.5	168.3	-166.9	-3.7	115	K196 G200 D252	K196-R198 PolarHBondContact O-N 3.23Å; R198-G200 PolarHBondContact O-N 2.84Å; R198-D252 PolarHBondContact NH2-O 2.96Å
199	R	50.6	Low	61.8	Low	246 Å²	246	109.7 Å²	109.7	93%	0.928	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	86.6	176.2	-115.6	178.5	174.4	167.6	-2.1	109	S197	S197-R199 PolarHBondContact O-N 3.43Å
200	G	46.4	Very low	58.7	Low	77 Å²	77	113.1 Å²	113.1	79%	0.794	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.2	1.7	176.2	0	0	0	0	0	118.6	R198	R198-G200 PolarHBondContact O-N 2.84Å
201	K	45.5	Very low	55.7	Low	219 Å²	219	123.9 Å²	123.9	95%	0.952	67%	0.666	S	S	*	*	S	Bend	trans	-124.9	69.9	168.8	-104.6	-174.4	176.3	-178.9	0	109.4
202	G	43.5	Very low	52.5	Low	73 Å²	73	127.5 Å²	127.5	75%	0.753	70%	0.703	S	S	*	*			trans	-165.7	35.5	-176.9	0	0	0	0	0	112.5	R204	G202-R204 PolarHBondContact O-N 3.4Å
203	G	38.7	Very low	49.5	Very low	87 Å²	87	137.4 Å²	137.4	90%	0.897	75%	0.746	S	S	*	*			trans	-82.6	82.6	166.7	0	0	0	0	0	109.6
204	R	44.8	Very low	46.6	Very low	254 Å²	254	148.3 Å²	148.3	96%	0.958	79%	0.787	S	S	*	*			trans	-107.7	114.1	159.2	-99.3	-175.4	167.8	172.9	-3.8	106.9	G202	G202-R204 PolarHBondContact O-N 3.4Å
205	G	40.5	Very low	44	Very low	78 Å²	78	157.6 Å²	157.6	80%	0.804	82%	0.82	S	S	*	*			trans	172.9	52.8	178.7	0	0	0	0	0	115.1
206	K	38.3	Very low	41.3	Very low	213 Å²	213	162.9 Å²	162.9	93%	0.926	84%	0.841	S	S	*	*			trans	-142	84.3	148.6	-101.8	-172.9	178.7	-179.2	0	107.9	G208	K206-G208 PolarHBondContact O-N 3.25Å
207	G	36.3	Very low	39.2	Very low	80 Å²	80	159.9 Å²	159.9	83%	0.825	85%	0.846	S	S	*	*			trans	-67.3	106.7	161	0	0	0	0	0	107.7	K209	G207-K209 PolarHBondContact O-N 3.18Å
208	G	36.3	Very low	37.8	Very low	78 Å²	78	163.2 Å²	163.2	80%	0.804	86%	0.856	S	S	*	*			trans	-64.7	115.5	167.7	0	0	0	0	0	108.7	K206 E210	K206-G208 PolarHBondContact O-N 3.25Å; G208-E210 PolarHBondContact O-N 3.29Å
209	K	36.8	Very low	36.5	Very low	192 Å²	192	163.9 Å²	163.9	84%	0.835	86%	0.864	S	S	*	*			trans	-86.7	91.8	177.3	-165.8	-175	-164.3	179.3	0	106.7	G207	G207-K209 PolarHBondContact O-N 3.18Å
210	E	33.1	Very low	35.5	Very low	195 Å²	195	158.7 Å²	158.7	91%	0.911	86%	0.86	S	S	*	*			trans	-102.7	113.3	172.9	-128.9	172.3	-167.7	0	0	110.2	G208	G208-E210 PolarHBondContact O-N 3.29Å
211	R	34.9	Very low	34.6	Very low	227 Å²	227	162.6 Å²	162.6	86%	0.857	86%	0.855	S	S	*	*			trans	-77.9	145.6	176.7	-85.7	175.1	156.8	176.8	-7.1	108.7
212	G	31.4	Very low	33.7	Very low	75 Å²	75	161.3 Å²	161.3	77%	0.773	85%	0.852	S	S	*	*			trans	-74.7	177.8	-163.1	0	0	0	0	0	117.5
213	K	31.2	Very low	32.9	Very low	212 Å²	212	165.7 Å²	165.7	92%	0.922	85%	0.853	S	S	*	*			trans	-159.1	126.5	144.3	-119.9	174.8	-179.2	176.4	0	110.6
214	R	33.3	Very low	32.4	Very low	242 Å²	242	164.6 Å²	164.6	91%	0.913	84%	0.842	S	S	*	*			trans	-69.5	144.9	167.6	-77	173.3	162.4	168.4	-6.3	110.7
215	R	32.2	Very low	31.5	Very low	245 Å²	245	159.7 Å²	159.7	93%	0.925	83%	0.834	S	S	*	*			trans	-173.4	108.5	149.9	-98.7	170.7	-179.8	-166.1	-2.4	105.4
216	K	28.3	Very low	30.8	Very low	217 Å²	217	163.7 Å²	163.7	94%	0.943	83%	0.832	S	S	*	*				67.9	120.3	68.5	-150	-173.6	-174	-172.1	0	113.7
217	G	27.3	Very low	30.4	Very low	64 Å²	64	160.9 Å²	160.9	66%	0.66	82%	0.824	S	S	*	*			trans	98.7	129.7	175.9	0	0	0	0	0	111.7
218	D	29	Very low	29.9	Very low	172 Å²	172	164.8 Å²	164.8	92%	0.92	82%	0.82	S	S	*	*			cis	-152.9	161.8	20.5	-93.7	-37.9	0	0	0	112.9
219	K	28.5	Very low	29.5	Very low	195 Å²	195	169.5 Å²	169.5	85%	0.848	82%	0.821	S	S	*	*			trans	-73.8	158.1	174.5	-73.8	175.4	169.9	179.5	0	112.1
220	V	28.7	Very low	29.1	Very low	137 Å²	137	168.5 Å²	168.5	83%	0.83	83%	0.825	S	S	*	*				173.8	104.4	129.5	159.3	0	0	0	0	105.1
221	K	27.4	Very low	28.8	Very low	160 Å²	160	162.7 Å²	162.7	70%	0.696	82%	0.818	S	S	*	*				62.5	111	80.3	-95.5	-154.8	173.8	-133.9	0	115.8	E223	K221-E223 IonicContact NZ-OE1 2.8Å; K221-E223 PolarHBondContact NZ-OE1 2.96Å
222	E	27.8	Very low	28.5	Very low	191 Å²	191	155.5 Å²	155.5	89%	0.893	81%	0.814	S	S	*	*			trans	178.6	108.6	137.6	-101.3	177.8	172.3	0	0	105.5
223	E	25.8	Very low	28.4	Very low	165 Å²	165	164.4 Å²	164.4	77%	0.771	83%	0.825	S	S	*	*				65.4	124.7	60	-72.9	-175.6	-146.6	0	0	115.5	K221	K221-E223 IonicContact NZ-OE1 2.8Å; K221-E223 PolarHBondContact NZ-OE1 2.96Å
224	G	27.7	Very low	28.4	Very low	65 Å²	65	158 Å²	158	67%	0.67	82%	0.819	S	S	*	*			trans	140.5	81	173.8	0	0	0	0	0	113.1
225	L	27.6	Very low	28.2	Very low	150 Å²	150	153.7 Å²	153.7	79%	0.785	81%	0.809	S	S	*	*				69.8	104.6	100.7	-68.1	168	0	0	0	113.2
226	E	25.7	Very low	28.3	Very low	162 Å²	162	152.2 Å²	152.2	76%	0.757	80%	0.803	S	S	*	*				97.5	126.6	79.2	-90.7	-174.8	-167.2	0	0	112.8
227	M	28.3	Very low	28.4	Very low	155 Å²	155	152.1 Å²	152.1	76%	0.764	80%	0.803	S	S	*	*			trans	45.6	144.9	147.5	-66.7	172.5	81.1	0	0	119.2
228	E	27	Very low	28.7	Very low	161 Å²	161	152.8 Å²	152.8	75%	0.752	81%	0.81	S	S	*	*			cis	-168.3	179.1	27.7	-138.1	177.3	-158	0	0	110.2
229	E	27.7	Very low	28.7	Very low	177 Å²	177	156.5 Å²	156.5	83%	0.827	81%	0.811	S	S	*	*			trans	-61.3	150.9	-172.9	-58.5	178	126.8	0	0	116.7
230	N	28.6	Very low	29	Very low	171 Å²	171	150.7 Å²	150.7	91%	0.914	81%	0.806	S	S	*	*				-159.2	147.3	121	-131.9	-25.2	0	0	0	113.7
231	G	26.7	Very low	29.3	Very low	73 Å²	73	154.1 Å²	154.1	75%	0.753	81%	0.81	S	S	*	*			trans	-78	163.8	-165.3	0	0	0	0	0	116.9
232	G	28.4	Very low	29.6	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	81%	0.81	S	S	*	*			trans	-169	92.7	171	0	0	0	0	0	111.2	G234	G232-G234 PolarHBondContact O-N 3.44Å
233	R	30.2	Very low	30.1	Very low	263 Å²	263	150 Å²	150	99%	0.992	81%	0.809	S	S	*	*			trans	-50.8	126.7	170.1	-97.8	171.8	167.7	168.4	-3.6	111
234	G	31	Very low	30.6	Very low	78 Å²	78	151.9 Å²	151.9	80%	0.804	81%	0.814	S	S	*	*			trans	-151.9	107	167.7	0	0	0	0	0	110.5	G232	G232-G234 PolarHBondContact O-N 3.44Å
235	E	29.1	Very low	31.1	Very low	151 Å²	151	156.1 Å²	156.1	71%	0.706	82%	0.82	S	S	*	*			trans	-63.4	146.2	-176	-80.1	-176.9	111	0	0	115
236	R	32.8	Very low	31.7	Very low	213 Å²	213	160.1 Å²	160.1	80%	0.804	83%	0.825	S	S	*	*			trans	56.3	110.4	138.9	-66	170.5	174.6	162.4	-4.7	118.5
237	K	31.8	Very low	32.4	Very low	215 Å²	215	156.8 Å²	156.8	94%	0.935	82%	0.819	S	S	*	*				-155.2	115.8	125.1	-106.6	163.5	-168.6	179.1	0	111.1
238	G	32.8	Very low	33.1	Very low	78 Å²	78	160.9 Å²	160.9	80%	0.804	83%	0.826	S	S	*	*			trans	-59.9	136.1	-179.2	0	0	0	0	0	112.8	G240	G238-G240 PolarHBondContact O-N 2.81Å
239	R	30.3	Very low	33.8	Very low	250 Å²	250	163.6 Å²	163.6	94%	0.943	83%	0.829	S	S	*	*			trans	-65.1	89.9	176.1	-124.5	171.2	164.3	175.1	-4.1	110.1	K241	R239-K241 PolarHBondContact O-N 2.78Å
240	G	32.9	Very low	34.7	Very low	73 Å²	73	160.7 Å²	160.7	75%	0.753	83%	0.829	S	S	*	*			trans	-65.8	111.1	164.2	0	0	0	0	0	109.9	G238 G242	G238-G240 PolarHBondContact O-N 2.81Å; G240-G242 VanDerWaalsContact C-N 3.25Å; G240-G242 PolarHBondContact O-N 3.28Å
241	K	35.9	Very low	35.6	Very low	209 Å²	209	157 Å²	157	91%	0.909	81%	0.812	S	S	*	*			trans	-65.2	86	168.5	-77.7	-178.8	177.5	174.3	0	109	R239 K243	R239-K241 PolarHBondContact O-N 2.78Å; K241-K243 PolarHBondContact O-N 3.33Å
242	G	33.3	Very low	36.7	Very low	68 Å²	68	159.6 Å²	159.6	70%	0.701	81%	0.809	S	S	*	*			trans	-64	97.7	168.8	0	0	0	0	0	109.9	G240 K244	G240-G242 VanDerWaalsContact C-N 3.25Å; G240-G242 PolarHBondContact O-N 3.28Å; G242-K244 PolarHBondContact O-N 3.26Å
243	K	38.9	Very low	38	Very low	198 Å²	198	159.1 Å²	159.1	86%	0.861	79%	0.793	S	S	*	*			trans	-54	105.5	161.3	-82.4	178	175.3	174.4	0	106.7	K241 I245	K241-K243 PolarHBondContact O-N 3.33Å; K243-I245 PolarHBondContact O-N 3.1Å
244	K	36.4	Very low	39.7	Very low	204 Å²	204	148.1 Å²	148.1	89%	0.887	76%	0.762	S	S	*	*			trans	-60.6	92.5	167.2	-77.4	-177.2	178.1	176.7	0	107.1	G242 R246	G242-K244 PolarHBondContact O-N 3.26Å; K244-R246 VanDerWaalsContact C-N 3.32Å; K244-R246 PolarHBondContact O-N 3.47Å
245	I	38.8	Very low	41.6	Very low	153 Å²	153	152.8 Å²	152.8	79%	0.785	76%	0.76	S	S	*	*			trans	-55.7	105.4	162.7	-65.3	171.7	0	0	0	104.1	K243 S247	K243-I245 PolarHBondContact O-N 3.1Å; I245-S247 PolarHBondContact O-N 2.98Å
246	R	38.7	Very low	44.2	Very low	234 Å²	234	147 Å²	147	88%	0.883	74%	0.736	S	S	*	*			trans	-62.8	90.2	165.6	-79.4	-179.1	174.5	161	-1	105	K244 R248	K244-R246 VanDerWaalsContact C-N 3.32Å; K244-R246 PolarHBondContact O-N 3.47Å; R246-R248 VanDerWaalsContact C-N 3.34Å; R246-R248 PolarHBondContact O-N 2.64Å
247	S	41.8	Very low	46.9	Very low	92 Å²	92	139.2 Å²	139.2	64%	0.643	71%	0.714	S	S	*	*			trans	-43.1	107.5	160.3	160.4	0	0	0	0	105.6	I245 R249	I245-S247 PolarHBondContact O-N 2.98Å; S247-R249 PolarHBondContact O-N 2.91Å
248	R	42.7	Very low	49.8	Very low	242 Å²	242	131.3 Å²	131.3	91%	0.913	68%	0.68	S	S	*	*			trans	-61.2	89.9	163.1	-81.7	178.6	168.4	165.8	-3.4	103.6	R246 S250	R246-R248 VanDerWaalsContact C-N 3.34Å; R246-R248 PolarHBondContact O-N 2.64Å; R248-S250 PolarHBondContact O-N 2.94Å
249	R	41.9	Very low	52.8	Low	217 Å²	217	133.5 Å²	133.5	82%	0.819	67%	0.667	S	S	*	*			trans	-47.2	111.4	163	-81.6	-178.1	179.9	161.8	-0.6	104.5	S247 V251	S247-R249 PolarHBondContact O-N 2.91Å; R249-V251 WeakPolarHBondContact O-CG2 3.3Å; R249-V251 PolarHBondContact O-N 3.36Å
250	S	46.6	Very low	55.9	Low	116 Å²	116	126 Å²	126	81%	0.811	64%	0.639	S	S	*	*			trans	-51.8	113.7	173.6	50	0	0	0	0	105.2	R248 D252	R248-S250 PolarHBondContact O-N 2.94Å; S250-D252 PolarHBondContact O-N 2.94Å
251	V	46.8	Very low	59	Low	94 Å²	94	123 Å²	123	57%	0.57	61%	0.606	S	S	*	*			trans	-73.2	101.3	-172.8	173.2	0	0	0	0	105.2	R249 S253	R249-V251 WeakPolarHBondContact O-CG2 3.3Å; R249-V251 PolarHBondContact O-N 3.36Å; V251-S253 PolarHBondContact O-N 3.16Å
252	D	49.4	Very low	62	Low	128 Å²	128	120.2 Å²	120.2	68%	0.684	59%	0.59	S	S	*	*			trans	-58.9	105.5	172.4	-175	28.2	0	0	0	107.9	R198 S250	R198-D252 PolarHBondContact NH2-O 2.96Å; S250-D252 PolarHBondContact O-N 2.94Å
253	S	56	Low	65.1	Low	65 Å²	65	117.6 Å²	117.6	46%	0.455	56%	0.56	S	S	.	*			trans	-80.3	113.5	171.3	52.2	0	0	0	0	104.8	K140 V251	K140-S253 VanDerWaalsContact CE-O 3.31Å; K140-S253 WeakPolarHBondContact CE-O 3.28Å; K140-S253 PolarHBondContact NZ-O 3.43Å; V251-S253 PolarHBondContact O-N 3.16Å
254	G	65.1	Low	67.9	Low	33 Å²	33	112.7 Å²	112.7	34%	0.34	54%	0.539	S	S	.	.			trans	-56.1	156.1	-175.3	0	0	0	0	0	113.3	K140	K140-G254 WeakPolarHBondContact CE-O 3.27Å
255	K	72.6	Confident	70.8	Confident	175 Å²	175	105 Å²	105	76%	0.761	51%	0.505	S	S	*	.			trans	-42.9	139.8	179.3	-69.8	-175.4	179.2	-177.6	0	112.4	K196	K196-K255 WeakPolarHBondContact CE-O 3.32Å
256	P	82.5	Confident	73.6	Confident	30 Å²	30	97.9 Å²	97.9	20%	0.195	47%	0.469	C	S	.	.			trans	-57	156	175.8	-16	31	0	0	0	110	K140 L193 K194	K140-P256 HydrophobicContact CB-CG 3.95Å; K140-P256 HydrophobicContact CD-CG 3.7Å; K140-P256 VanDerWaalsContact CE-CD 3.44Å; K140-P256 HydrophobicContact CG-CG 3.53Å; L193-P256 HydrophobicContact CD1-CB 3.74Å; L193-P256 HydrophobicContact CD2-CB 4.2Å; L193-P256 HydrophobicContact CG-CB 3.72Å; K194-P256 WeakPolarHBondContact O-CA 3.39Å
257	S	89.1	Confident	76.4	Confident	50 Å²	50	87.2 Å²	87.2	35%	0.35	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.2	178.8	54.9	0	0	0	0	110.8	K194 K259	K194-S257 PolarHBondContact N-O 3.18Å; K194-S257 PolarHBondContact O-N 2.72Å; S257-K259 PolarHBondContact O-N 3.18Å
258	F	93.6	Very high	79.1	Confident	49 Å²	49	82.8 Å²	82.8	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.9	175.6	-64.4	-68.4	0	0	0	111.1	K153 I192 L193 W260 F321	K153-F258 HydrophobicContact CB-CD1 4.19Å; K153-F258 HydrophobicContact CB-CE1 3.69Å; K153-F258 HydrophobicContact CB-CZ 3.93Å; K153-F258 HydrophobicContact CG-CZ 4.43Å; I192-F258 WeakPolarHBondContact O-CA 3.32Å; L193-F258 HydrophobicContact CB-CE1 4.47Å; L193-F258 HydrophobicContact CD1-CD1 4.24Å; L193-F258 HydrophobicContact CD1-CE1 4.08Å; L193-F258 HydrophobicContact CD1-CZ 4.38Å; F258-W260 HydrophobicContact CB-CD2 4.45Å; F258-W260 HydrophobicContact CB-CZ2 4.07Å; F258-W260 HydrophobicContact CD2-CZ2 4.29Å; F258-W260 HydrophobicContact CG-CZ2 4.23Å; F258-F321 HydrophobicContact CE1-CD1 4.04Å; F258-F321 AromaticContact CE1-CE1 3.52Å; F258-F321 HydrophobicContact CE1-CE1 3.52Å; F258-F321 HydrophobicContact CE1-CE2 4.12Å; F258-F321 AromaticContact CE1-CZ 3.58Å; F258-F321 HydrophobicContact CE1-CZ 3.58Å; F258-F321 AromaticContact CZ-CD1 3.66Å; F258-F321 HydrophobicContact CZ-CD1 3.66Å; F258-F321 AromaticContact CZ-CE1 3.53Å; F258-F321 HydrophobicContact CZ-CE1 3.53Å; F258-F321 HydrophobicContact CZ-CG 4.29Å; F258-F321 HydrophobicContact CZ-CZ 4.07Å
259	K	95.1	Very high	81.8	Confident	123 Å²	123	71.3 Å²	71.3	54%	0.535	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.8	163.4	-175.3	174.4	-177.7	173.1	0	108.5	I192 K194 S257	I192-K259 PolarHBondContact N-O 2.97Å; I192-K259 VanDerWaalsContact N-O 3.11Å; I192-K259 PolarHBondContact O-N 3.41Å; K194-K259 HydrophobicContact CD-CB 4.25Å; K194-K259 HydrophobicContact CD-CD 3.99Å; K194-K259 HydrophobicContact CG-CB 4.34Å; S257-K259 PolarHBondContact O-N 3.18Å
260	W	96.8	Very high	84.4	Confident	93 Å²	93	62.4 Å²	62.4	35%	0.352	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138	-177.9	-63.9	97.6	0	0	0	112.8	K153 R189 V190 G191 F258	K153-W260 HydrophobicContact CB-CH2 4.23Å; K153-W260 HydrophobicContact CG-CH2 4.03Å; K153-W260 WeakPolarHBondContact O-CZ3 3.45Å; R189-W260 HydrophobicContact CB-CE3 3.69Å; R189-W260 HydrophobicContact CB-CZ3 4.35Å; V190-W260 VanDerWaalsContact C-CE3 3.42Å; V190-W260 CarbonylContact O-C 3.59Å; V190-W260 WeakPolarHBondContact O-CA 3.45Å; G191-W260 VanDerWaalsContact CA-CE3 3.41Å; G191-W260 VanDerWaalsContact N-CZ3 3.28Å; F258-W260 HydrophobicContact CB-CD2 4.45Å; F258-W260 HydrophobicContact CB-CZ2 4.07Å; F258-W260 HydrophobicContact CD2-CZ2 4.29Å; F258-W260 HydrophobicContact CG-CZ2 4.23Å
261	T	97.4	Very high	86.7	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.5	172	-62	0	0	0	0	109.2	R189 V190 L291 R293	R189-T261 CarbonylContact C-O 3.6Å; R189-T261 VanDerWaalsContact CA-O 3.29Å; R189-T261 WeakPolarHBondContact CA-O 3.23Å; V190-T261 PolarHBondContact N-O 2.78Å; V190-T261 PolarHBondContact O-N 2.81Å; T261-L291 HydrophobicContact CG2-CB 4.29Å; T261-R293 HydrophobicContact CG2-CB 3.96Å
262	R	97.6	Very high	89	Confident	152 Å²	152	52.9 Å²	52.9	57%	0.574	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.7	175.6	-73.5	-165.8	179.9	-167.9	2	111.3	R189 K292	R189-R262 HydrophobicContact CG-CG 4.15Å; R262-K292 WeakPolarHBondContact O-CB 3.48Å; R262-K292 PolarHBondContact O-N 2.84Å
263	V	98.4	Very high	91.1	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.2	168.7	179	0	0	0	0	108.7	L188 V190 K265 L289 E290 L291	L188-V263 HydrophobicContact CB-CB 4.19Å; L188-V263 HydrophobicContact CB-CG2 4.06Å; L188-V263 HydrophobicContact CD2-CB 4.35Å; L188-V263 HydrophobicContact CD2-CG1 4.48Å; L188-V263 HydrophobicContact CD2-CG2 3.88Å; L188-V263 HydrophobicContact CG-CB 4.4Å; L188-V263 HydrophobicContact CG-CG2 3.8Å; L188-V263 PolarHBondContact O-N 2.72Å; V190-V263 HydrophobicContact CG2-CG2 3.93Å; V263-K265 VanDerWaalsContact CG1-O 3.25Å; V263-K265 WeakPolarHBondContact CG1-O 3.42Å; V263-L289 HydrophobicContact CG1-CB 4.09Å; V263-L289 HydrophobicContact CG1-CD2 4.26Å; V263-L289 HydrophobicContact CG2-CB 4.21Å; V263-L289 HydrophobicContact CG2-CD1 4.26Å; V263-E290 CarbonylContact C-O 3.53Å; V263-L291 HydrophobicContact CG2-CD2 4.37Å
264	K	97.9	Very high	92.7	Very high	95 Å²	95	48.6 Å²	48.6	41%	0.413	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.4	178.5	176	-179.1	160.7	-154.3	0	111.2	E94 E290	E94-K264 PolarHBondContact N-O 2.76Å; K264-E290 WeakPolarHBondContact CD-OE1 3.28Å; K264-E290 PolarHBondContact N-O 2.78Å; K264-E290 IonicContact NZ-OE1 2.81Å; K264-E290 PolarHBondContact NZ-OE1 2.85Å
265	K	97.3	Very high	93.6	Very high	42 Å²	42	49.9 Å²	49.9	18%	0.183	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.9	172.1	72.4	-178.4	-160	-134.3	0	110.9	T91 V92 Y93 V263 Q267 E290	T91-K265 HydrophobicContact CG2-CB 4.04Å; T91-K265 HydrophobicContact CG2-CD 4.11Å; T91-K265 HydrophobicContact CG2-CG 4.38Å; V92-K265 CarbonylContact O-C 3.58Å; V92-K265 WeakPolarHBondContact O-CA 3.32Å; Y93-K265 HydrophobicContact CD1-CB 3.9Å; Y93-K265 HydrophobicContact CE1-CB 4.3Å; Y93-K265 HydrophobicContact CE1-CD 4.26Å; V263-K265 VanDerWaalsContact CG1-O 3.25Å; V263-K265 WeakPolarHBondContact CG1-O 3.42Å; K265-Q267 VanDerWaalsContact CE-OE1 3.28Å; K265-E290 WeakPolarHBondContact CD-OE2 3.47Å; K265-E290 WeakPolarHBondContact CE-OE2 3.28Å; K265-E290 HydrophobicContact CG-CB 3.8Å; K265-E290 IonicContact NZ-OE2 3.98Å; K265-E290 PolarHBondContact NZ-OE2 2.77Å; K265-E290 PolarHBondContact O-N 2.67Å
266	T	98.3	Very high	94.3	Very high	5 Å²	5	43 Å²	43	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136	177.6	-64.8	0	0	0	0	108.5	T91 V92 I175 I268 L289	T91-T266 CarbonylContact C-O 3.39Å; T91-T266 VanDerWaalsContact CA-O 3.24Å; T91-T266 WeakPolarHBondContact CA-O 3.44Å; V92-T266 PolarHBondContact N-O 2.86Å; V92-T266 PolarHBondContact O-N 3.31Å; I175-T266 HydrophobicContact CD1-CG2 4.06Å; I175-T266 HydrophobicContact CG2-CG2 3.88Å; T266-I268 HydrophobicContact CG2-CD1 4.17Å; T266-I268 HydrophobicContact CG2-CG1 3.97Å; T266-L289 HydrophobicContact CG2-CD2 3.74Å; T266-L289 WeakPolarHBondContact OG1-CD2 3.33Å
267	Q	98.5	Very high	94.1	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.2	178.2	-62.6	176.1	-81.5	0	0	110.3	E90 T91 K265 A287 V288 W413	E90-Q267 WeakPolarHBondContact O-CA 3.27Å; T91-Q267 HydrophobicContact CG2-CG 3.99Å; K265-Q267 VanDerWaalsContact CE-OE1 3.28Å; Q267-A287 WeakPolarHBondContact O-CA 3.4Å; Q267-A287 WeakPolarHBondContact O-CB 3.35Å; Q267-V288 PolarHBondContact N-O 3.09Å; Q267-V288 PolarHBondContact O-N 2.87Å; Q267-W413 HydrophobicContact CB-CD2 3.99Å; Q267-W413 HydrophobicContact CB-CE3 4.31Å; Q267-W413 HydrophobicContact CB-CG 4.39Å; Q267-W413 HydrophobicContact CB-CZ2 4.26Å
268	I	98.1	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.4	-176.1	-52.5	-176.3	0	0	0	109.2	Y89 E90 A172 I175 H176 Y181 T266 W272 F273 A287	Y89-I268 VanDerWaalsContact CA-O 3.27Å; Y89-I268 WeakPolarHBondContact CA-O 3.38Å; Y89-I268 WeakPolarHBondContact CB-O 3.09Å; E90-I268 PolarHBondContact N-O 3.17Å; E90-I268 PolarHBondContact O-N 2.8Å; A172-I268 HydrophobicContact CB-CG2 3.98Å; I175-I268 HydrophobicContact CB-CD1 4.26Å; I175-I268 HydrophobicContact CG2-CD1 4.18Å; H176-I268 HydrophobicContact CB-CD1 3.56Å; Y181-I268 HydrophobicContact CD1-CD1 4.4Å; Y181-I268 HydrophobicContact CE1-CD1 3.65Å; T266-I268 HydrophobicContact CG2-CD1 4.17Å; T266-I268 HydrophobicContact CG2-CG1 3.97Å; I268-W272 HydrophobicContact CG2-CB 4Å; I268-W272 HydrophobicContact CG2-CG 4.08Å; I268-F273 HydrophobicContact CB-CE2 4.42Å; I268-F273 HydrophobicContact CG2-CE2 4.04Å; I268-A287 HydrophobicContact CG1-CB 4.02Å
269	P	98	Very high	92.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	149	178.2	31.7	-36.5	0	0	0	111.2	S88 G271 W272 F273 Y284 Y286 W413	S88-P269 CarbonylContact O-C 3.55Å; P269-G271 VanDerWaalsContact C-N 3.29Å; P269-G271 PolarHBondContact O-N 2.69Å; P269-W272 WeakPolarHBondContact O-CB 3.47Å; P269-W272 PolarHBondContact O-N 2.78Å; P269-F273 WeakPolarHBondContact O-CD2 2.94Å; P269-F273 WeakPolarHBondContact O-CE2 3.34Å; P269-Y284 HydrophobicContact CB-CD1 4.19Å; P269-Y284 HydrophobicContact CG-CD1 4.34Å; P269-Y284 WeakPolarHBondContact CG-O 3.37Å; P269-Y286 WeakPolarHBondContact CD-O 3.46Å; P269-Y286 HydrophobicContact CG-CD1 4.36Å; P269-Y286 HydrophobicContact CG-CD2 4.46Å; P269-Y286 HydrophobicContact CG-CE1 3.91Å; P269-Y286 HydrophobicContact CG-CE2 4.01Å; P269-W413 HydrophobicContact CB-CH2 4.43Å
270	K	97.1	Very high	91.9	Very high	30 Å²	30	39.7 Å²	39.7	13%	0.13	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-71.2	-23.9	-179	-74.6	-59.9	-57.8	173.9	0	113.1	Q85 F86 S88 E90 Y100 W272 F273 V276	Q85-K270 VanDerWaalsContact O-CB 3.32Å; Q85-K270 WeakPolarHBondContact O-CB 3.42Å; F86-K270 PolarHBondContact O-N 2.73Å; S88-K270 WeakPolarHBondContact O-CB 3.32Å; S88-K270 VanDerWaalsContact O-CG 3.28Å; S88-K270 WeakPolarHBondContact O-CG 3.14Å; S88-K270 PolarHBondContact O-N 2.67Å; E90-K270 HydrophobicContact CG-CD 3.93Å; E90-K270 IonicContact OE1-NZ 2.69Å; E90-K270 PolarHBondContact OE1-NZ 2.92Å; Y100-K270 HydrophobicContact CD2-CD 4.04Å; Y100-K270 HydrophobicContact CD2-CG 4.29Å; Y100-K270 HydrophobicContact CE2-CD 3.91Å; Y100-K270 HydrophobicContact CE2-CG 3.76Å; K270-W272 PolarHBondContact O-N 3.35Å; K270-W272 VanDerWaalsContact O-N 3.11Å; K270-F273 HydrophobicContact CD-CD2 3.92Å; K270-F273 HydrophobicContact CD-CE2 3.93Å; K270-F273 HydrophobicContact CD-CG 4.32Å; K270-F273 HydrophobicContact CD-CZ 4.36Å; K270-F273 VanDerWaalsContact NZ-CG 3.3Å; K270-F273 WeakPolarHBondContact O-CB 3.28Å; K270-F273 PolarHBondContact O-N 3.46Å; K270-V276 HydrophobicContact CB-CG1 4.36Å; K270-V276 WeakPolarHBondContact O-CB 3.48Å; K270-V276 WeakPolarHBondContact O-CG1 2.87Å
271	G	94.9	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.9	-21.9	170.3	0	0	0	0	0	113.2	F86 P269 F273 S277	F86-G271 PolarHBondContact O-N 3.19Å; P269-G271 VanDerWaalsContact C-N 3.29Å; P269-G271 PolarHBondContact O-N 2.69Å; G271-F273 VanDerWaalsContact C-N 3.28Å; G271-F273 PolarHBondContact O-N 2.88Å; G271-S277 PolarHBondContact O-OG 3.16Å
272	W	94.7	Very high	91	Very high	10 Å²	10	36.6 Å²	36.6	4%	0.038	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71.9	-19.9	173.4	175.6	-115.5	0	0	0	113.9	L63 A172 H173 H176 I268 P269 K270 T281 D285	L63-W272 HydrophobicContact CD2-CH2 3.31Å; L63-W272 HydrophobicContact CD2-CZ3 3.67Å; A172-W272 HydrophobicContact CB-CB 4.24Å; A172-W272 HydrophobicContact CB-CD2 3.61Å; A172-W272 HydrophobicContact CB-CE3 4.18Å; A172-W272 HydrophobicContact CB-CG 3.57Å; H173-W272 HydrophobicContact CB-CH2 3.59Å; H173-W272 HydrophobicContact CB-CZ2 3.56Å; H176-W272 AromaticContact CG-NE1 3.91Å; H176-W272 AromaticContact ND1-CD1 3.47Å; H176-W272 AromaticContact ND1-NE1 3.39Å; H176-W272 PolarHBondContact ND1-NE1 2.87Å; H176-W272 VanDerWaalsContact O-CZ2 3.22Å; H176-W272 WeakPolarHBondContact O-CZ2 3.44Å; H176-W272 PolarHBondContact O-NE1 2.87Å; I268-W272 HydrophobicContact CG2-CB 4Å; I268-W272 HydrophobicContact CG2-CG 4.08Å; P269-W272 WeakPolarHBondContact O-CB 3.47Å; P269-W272 PolarHBondContact O-N 2.78Å; K270-W272 PolarHBondContact O-N 3.35Å; K270-W272 VanDerWaalsContact O-N 3.11Å; W272-T281 HydrophobicContact CD2-CG2 4.38Å; W272-T281 HydrophobicContact CE3-CG2 3.74Å; W272-T281 HydrophobicContact CZ3-CG2 3.95Å; W272-T281 WeakPolarHBondContact O-CG2 3.24Å; W272-D285 HydrophobicContact CE3-CB 3.89Å; W272-D285 HydrophobicContact CZ3-CB 3.74Å
273	F	93.8	Very high	90.7	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.048	17%	0.17	C	C	.	.	S	Bend	trans	-81.7	138.3	-171.3	-69.4	-112.7	0	0	0	110.4	E90 H176 I268 P269 K270 G271 G275 V276	E90-F273 HydrophobicContact CB-CZ 3.96Å; E90-F273 HydrophobicContact CG-CE1 4.3Å; E90-F273 HydrophobicContact CG-CE2 4.42Å; E90-F273 HydrophobicContact CG-CZ 3.77Å; E90-F273 WeakPolarHBondContact OE1-CE1 3.49Å; E90-F273 WeakPolarHBondContact OE1-CZ 3.35Å; E90-F273 WeakPolarHBondContact OE2-CE1 3.48Å; E90-F273 WeakPolarHBondContact OE2-CZ 3.43Å; H176-F273 AromaticContact CE1-CD1 3.51Å; H176-F273 AromaticContact CE1-CE1 3.26Å; H176-F273 WeakPolarHBondContact CE1-CE1 3.47Å; H176-F273 AromaticContact CE1-CZ 3.78Å; H176-F273 AromaticContact NE2-CE1 3.36Å; H176-F273 WeakPolarHBondContact NE2-CE1 3.42Å; H176-F273 AromaticContact NE2-CZ 3.84Å; I268-F273 HydrophobicContact CB-CE2 4.42Å; I268-F273 HydrophobicContact CG2-CE2 4.04Å; P269-F273 WeakPolarHBondContact O-CD2 2.94Å; P269-F273 WeakPolarHBondContact O-CE2 3.34Å; K270-F273 HydrophobicContact CD-CD2 3.92Å; K270-F273 HydrophobicContact CD-CE2 3.93Å; K270-F273 HydrophobicContact CD-CG 4.32Å; K270-F273 HydrophobicContact CD-CZ 4.36Å; K270-F273 VanDerWaalsContact NZ-CG 3.3Å; K270-F273 WeakPolarHBondContact O-CB 3.28Å; K270-F273 PolarHBondContact O-N 3.46Å; G271-F273 VanDerWaalsContact C-N 3.28Å; G271-F273 PolarHBondContact O-N 2.88Å; F273-G275 PolarHBondContact O-N 2.89Å; F273-V276 HydrophobicContact CB-CG2 3.82Å; F273-V276 WeakPolarHBondContact O-CB 3.27Å; F273-V276 PolarHBondContact O-N 3.01Å; F273-V276 VanDerWaalsContact O-N 3.14Å
274	K	89.5	Confident	90.5	Very high	92 Å²	92	29.9 Å²	29.9	40%	0.4	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.1	-179.2	-70.8	179.8	-178.5	158.6	0	110	D177 G178 K179 V276	D177-K274 VanDerWaalsContact O-CE 3.23Å; D177-K274 WeakPolarHBondContact O-CE 3.45Å; D177-K274 PolarHBondContact O-NZ 2.93Å; G178-K274 PolarHBondContact O-N 2.87Å; K179-K274 HydrophobicContact CD-CD 4.48Å; K179-K274 HydrophobicContact CG-CD 4.05Å; K274-V276 VanDerWaalsContact C-N 3.34Å
275	G	85.1	Confident	90.4	Very high	60 Å²	60	25.3 Å²	25.3	62%	0.619	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	11.5	-178	0	0	0	0	0	115	F273	F273-G275 PolarHBondContact O-N 2.89Å
276	V	86.2	Confident	90.5	Very high	31 Å²	31	23.5 Å²	23.5	19%	0.188	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-56.9	173.4	178.8	0	0	0	0	111	Q85 F86 K270 F273 K274	Q85-V276 HydrophobicContact CG-CG1 4.15Å; F86-V276 HydrophobicContact CD1-CG1 3.84Å; F86-V276 HydrophobicContact CE1-CG1 4.18Å; F86-V276 VanDerWaalsContact CE1-O 3.27Å; F86-V276 WeakPolarHBondContact CE1-O 2.94Å; K270-V276 HydrophobicContact CB-CG1 4.36Å; K270-V276 WeakPolarHBondContact O-CB 3.48Å; K270-V276 WeakPolarHBondContact O-CG1 2.87Å; F273-V276 HydrophobicContact CB-CG2 3.82Å; F273-V276 WeakPolarHBondContact O-CB 3.27Å; F273-V276 PolarHBondContact O-N 3.01Å; F273-V276 VanDerWaalsContact O-N 3.14Å; K274-V276 VanDerWaalsContact C-N 3.34Å
277	S	78.4	Confident	90.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	14%	0.14	C	C	.	.	S	Bend	trans	-114.6	79.4	177.4	67.8	0	0	0	0	109.9	G271 G279 L280 T281	G271-S277 PolarHBondContact O-OG 3.16Å; S277-G279 PolarHBondContact O-N 2.82Å; S277-L280 PolarHBondContact O-N 2.85Å; S277-T281 PolarHBondContact O-N 2.61Å; S277-T281 PolarHBondContact O-OG1 3.36Å; S277-T281 PolarHBondContact OG-N 3.1Å
278	D	76.2	Confident	90.5	Very high	129 Å²	129	22.8 Å²	22.8	69%	0.69	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	123.5	-176.5	-69.1	-25.9	0	0	0	111.2	L280	D278-L280 PolarHBondContact O-N 2.85Å; D278-L280 VanDerWaalsContact O-N 3.16Å
279	G	73.1	Confident	90.5	Very high	30 Å²	30	22.8 Å²	22.8	31%	0.309	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-19.2	-175.8	0	0	0	0	0	115.8	C67 S277	C67-G279 WeakPolarHBondContact CB-O 3.33Å; C67-G279 PolarHBondContact N-O 2.82Å; S277-G279 PolarHBondContact O-N 2.82Å
280	L	82.5	Confident	90.5	Very high	22 Å²	22	23.8 Å²	23.8	12%	0.115	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	9	-174.7	-58.5	-179.7	0	0	0	114.3	Q72 I75 S277 D278 A282 D283	Q72-L280 HydrophobicContact CG-CD2 4.22Å; I75-L280 HydrophobicContact CD1-CD2 3.61Å; I75-L280 HydrophobicContact CD1-CG 4.2Å; I75-L280 HydrophobicContact CG2-CD1 4.15Å; I75-L280 HydrophobicContact CG2-CD2 4.43Å; S277-L280 PolarHBondContact O-N 2.85Å; D278-L280 PolarHBondContact O-N 2.85Å; D278-L280 VanDerWaalsContact O-N 3.16Å; L280-A282 PolarHBondContact O-N 3.48Å; L280-A282 VanDerWaalsContact O-N 3.1Å; L280-D283 WeakPolarHBondContact CD2-OD2 3.48Å; L280-D283 VanDerWaalsContact O-CB 3.23Å; L280-D283 WeakPolarHBondContact O-CB 3.41Å; L280-D283 PolarHBondContact O-N 2.83Å
281	T	86.5	Confident	90.6	Very high	34 Å²	34	22.4 Å²	22.4	21%	0.209	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-52.6	-37	-177.1	-49	0	0	0	0	113.5	W272 S277 D283 Y284	W272-T281 HydrophobicContact CD2-CG2 4.38Å; W272-T281 HydrophobicContact CE3-CG2 3.74Å; W272-T281 HydrophobicContact CZ3-CG2 3.95Å; W272-T281 WeakPolarHBondContact O-CG2 3.24Å; S277-T281 PolarHBondContact O-N 2.61Å; S277-T281 PolarHBondContact O-OG1 3.36Å; S277-T281 PolarHBondContact OG-N 3.1Å; T281-D283 PolarHBondContact O-N 2.91Å; T281-Y284 PolarHBondContact O-N 3.35Å; T281-Y284 VanDerWaalsContact O-N 3.11Å
282	A	88.6	Confident	90.7	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62.3	-29.8	177.6	0	0	0	0	0	113.2	L63 T66 L280 Y284 D285 L343 V400	L63-A282 HydrophobicContact CD1-CB 4.2Å; T66-A282 HydrophobicContact CG2-CB 3.7Å; L280-A282 PolarHBondContact O-N 3.48Å; L280-A282 VanDerWaalsContact O-N 3.1Å; A282-Y284 PolarHBondContact O-N 2.9Å; A282-Y284 VanDerWaalsContact O-N 3.14Å; A282-D285 WeakPolarHBondContact O-CB 3.43Å; A282-D285 PolarHBondContact O-N 3.46Å; A282-L343 HydrophobicContact CB-CD1 4.23Å; A282-V400 WeakPolarHBondContact O-CG2 3.05Å
283	D	91.5	Very high	90.8	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.043	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-63.5	-22.2	178	-62.8	-12.1	0	0	0	111.4	Q72 L280 T281 D342 L343 V400 K406	Q72-D283 PolarHBondContact NE2-OD1 3.49Å; L280-D283 WeakPolarHBondContact CD2-OD2 3.48Å; L280-D283 VanDerWaalsContact O-CB 3.23Å; L280-D283 WeakPolarHBondContact O-CB 3.41Å; L280-D283 PolarHBondContact O-N 2.83Å; T281-D283 PolarHBondContact O-N 2.91Å; D283-D342 HydrophobicContact CB-CB 3.59Å; D283-L343 WeakPolarHBondContact OD1-CD1 3.31Å; D283-L343 WeakPolarHBondContact OD1-CG 3.4Å; D283-V400 WeakPolarHBondContact O-CG1 2.79Å; D283-K406 WeakPolarHBondContact O-CE 3.46Å; D283-K406 PolarHBondContact O-NZ 3.47Å
284	Y	94.8	Very high	90.9	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.055	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-109.1	16.3	-177.6	-63.8	-84.2	0	0	0	113.4	F86 L87 P269 T281 A282 Y286	F86-Y284 HydrophobicContact CB-CE1 3.77Å; F86-Y284 HydrophobicContact CB-CE2 4.13Å; F86-Y284 HydrophobicContact CD2-CE2 4.07Å; F86-Y284 AromaticContact CD2-CZ 3.87Å; F86-Y284 VanDerWaalsContact CD2-OH 3.31Å; F86-Y284 WeakPolarHBondContact CD2-OH 3.44Å; F86-Y284 HydrophobicContact CG-CE2 4.25Å; L87-Y284 HydrophobicContact CD2-CE1 4.47Å; P269-Y284 HydrophobicContact CB-CD1 4.19Å; P269-Y284 HydrophobicContact CG-CD1 4.34Å; P269-Y284 WeakPolarHBondContact CG-O 3.37Å; T281-Y284 PolarHBondContact O-N 3.35Å; T281-Y284 VanDerWaalsContact O-N 3.11Å; A282-Y284 PolarHBondContact O-N 2.9Å; A282-Y284 VanDerWaalsContact O-N 3.14Å; Y284-Y286 HydrophobicContact CD1-CE1 4.01Å; Y284-Y286 PolarHBondContact O-N 3.49Å
285	D	95.6	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.			trans	-76.2	59.9	176.1	-172.3	22.6	0	0	0	112.9	A171 A172 H173 W272 A282 S380 V400	A171-D285 WeakPolarHBondContact CA-O 3.34Å; A172-D285 WeakPolarHBondContact CA-OD1 3.49Å; A172-D285 WeakPolarHBondContact CB-OD1 3.36Å; A172-D285 PolarHBondContact N-OD1 2.77Å; H173-D285 IonicContact CE1-OD2 3.62Å; H173-D285 PolarHBondContact CE1-OD2 2.87Å; H173-D285 IonicContact CG-OD1 2.9Å; H173-D285 IonicContact CG-OD2 2.91Å; H173-D285 PolarHBondContact N-OD1 3.37Å; H173-D285 VanDerWaalsContact ND1-CG 3.28Å; H173-D285 IonicContact ND1-OD1 3.28Å; H173-D285 PolarHBondContact ND1-OD1 2.73Å; H173-D285 VanDerWaalsContact ND1-OD1 3.08Å; H173-D285 IonicContact ND1-OD2 3.7Å; H173-D285 PolarHBondContact ND1-OD2 3.1Å; W272-D285 HydrophobicContact CE3-CB 3.89Å; W272-D285 HydrophobicContact CZ3-CB 3.74Å; A282-D285 WeakPolarHBondContact O-CB 3.43Å; A282-D285 PolarHBondContact O-N 3.46Å; D285-S380 VanDerWaalsContact OD2-CB 3.31Å; D285-S380 WeakPolarHBondContact OD2-CB 3.48Å; D285-S380 PolarHBondContact OD2-OG 2.67Å; D285-V400 HydrophobicContact CB-CG2 3.96Å
286	Y	98.2	Very high	91.5	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.012	20%	0.2	C	C	.	.			trans	-141.5	150.5	173.1	65.9	-83.1	0	0	0	111.2	T170 P269 Y284 V400 K406 Q409 I410 W413	T170-Y286 CarbonylContact O-C 3.6Å; T170-Y286 VanDerWaalsContact O-CA 3.31Å; T170-Y286 WeakPolarHBondContact O-CA 3.38Å; P269-Y286 WeakPolarHBondContact CD-O 3.46Å; P269-Y286 HydrophobicContact CG-CD1 4.36Å; P269-Y286 HydrophobicContact CG-CD2 4.46Å; P269-Y286 HydrophobicContact CG-CE1 3.91Å; P269-Y286 HydrophobicContact CG-CE2 4.01Å; Y284-Y286 HydrophobicContact CD1-CE1 4.01Å; Y284-Y286 PolarHBondContact O-N 3.49Å; Y286-V400 HydrophobicContact CD1-CG1 4.07Å; Y286-K406 HydrophobicContact CD1-CD 4.42Å; Y286-K406 HydrophobicContact CE1-CD 3.88Å; Y286-K406 HydrophobicContact CE1-CG 3.91Å; Y286-Q409 PolarHBondContact OH-OE1 3.06Å; Y286-I410 HydrophobicContact CD2-CD1 4.27Å; Y286-I410 HydrophobicContact CD2-CG1 4.36Å; Y286-I410 HydrophobicContact CE2-CD1 4.44Å; Y286-I410 HydrophobicContact CE2-CG1 4.27Å; Y286-W413 HydrophobicContact CD2-CZ3 4.21Å; Y286-W413 HydrophobicContact CE2-CH2 4Å; Y286-W413 AromaticContact CE2-CZ3 3.88Å; Y286-W413 HydrophobicContact CE2-CZ3 3.88Å
287	A	98.6	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.3	178.7	0	0	0	0	0	110.8	T170 A172 I175 Q267 I268	T170-A287 HydrophobicContact CG2-CB 4.31Å; T170-A287 PolarHBondContact N-O 3.39Å; T170-A287 PolarHBondContact O-N 3.22Å; A172-A287 HydrophobicContact CB-CB 4.45Å; I175-A287 HydrophobicContact CD1-CB 3.6Å; Q267-A287 WeakPolarHBondContact O-CA 3.4Å; Q267-A287 WeakPolarHBondContact O-CB 3.35Å; I268-A287 HydrophobicContact CG1-CB 4.02Å
288	V	98.8	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	176.3	175.4	0	0	0	0	110.9	H167 V168 L169 Q267 I410 W413	H167-V288 HydrophobicContact CB-CG1 4.09Å; V168-V288 WeakPolarHBondContact O-CA 3.38Å; L169-V288 HydrophobicContact CD1-CG2 3.88Å; Q267-V288 PolarHBondContact N-O 3.09Å; Q267-V288 PolarHBondContact O-N 2.87Å; V288-I410 HydrophobicContact CG2-CG1 4.32Å; V288-I410 HydrophobicContact CG2-CG2 4.03Å; V288-W413 HydrophobicContact CB-CE3 3.74Å; V288-W413 HydrophobicContact CB-CZ3 4.3Å; V288-W413 HydrophobicContact CG2-CE3 3.52Å; V288-W413 HydrophobicContact CG2-CZ3 3.93Å
289	L	98.8	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.2	177.8	-50.6	178.6	0	0	0	109.7	I154 H167 V168 T170 I175 L188 V190 V263 T266	I154-L289 HydrophobicContact CD1-CD1 4.06Å; H167-L289 WeakPolarHBondContact CA-O 3.45Å; V168-L289 HydrophobicContact CB-CB 4.23Å; V168-L289 PolarHBondContact N-O 3.4Å; V168-L289 PolarHBondContact O-N 2.76Å; T170-L289 HydrophobicContact CG2-CD1 4.13Å; T170-L289 HydrophobicContact CG2-CG 4.21Å; I175-L289 HydrophobicContact CD1-CD2 3.62Å; I175-L289 HydrophobicContact CD1-CG 4.38Å; L188-L289 HydrophobicContact CD2-CD1 3.93Å; L188-L289 HydrophobicContact CD2-CD2 3.71Å; L188-L289 HydrophobicContact CD2-CG 4.46Å; V190-L289 HydrophobicContact CG2-CD1 3.94Å; V263-L289 HydrophobicContact CG1-CB 4.09Å; V263-L289 HydrophobicContact CG1-CD2 4.26Å; V263-L289 HydrophobicContact CG2-CB 4.21Å; V263-L289 HydrophobicContact CG2-CD1 4.26Å; T266-L289 HydrophobicContact CG2-CD2 3.74Å; T266-L289 WeakPolarHBondContact OG1-CD2 3.33Å
290	E	98.6	Very high	94.9	Very high	21 Å²	21	40 Å²	40	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.8	169.2	-172.5	-174.8	149.8	0	0	109.4	K166 V263 K264 K265	K166-E290 CarbonylContact O-C 3.46Å; V263-E290 CarbonylContact C-O 3.53Å; K264-E290 WeakPolarHBondContact CD-OE1 3.28Å; K264-E290 PolarHBondContact N-O 2.78Å; K264-E290 IonicContact NZ-OE1 2.81Å; K264-E290 PolarHBondContact NZ-OE1 2.85Å; K265-E290 WeakPolarHBondContact CD-OE2 3.47Å; K265-E290 WeakPolarHBondContact CE-OE2 3.28Å; K265-E290 HydrophobicContact CG-CB 3.8Å; K265-E290 IonicContact NZ-OE2 3.98Å; K265-E290 PolarHBondContact NZ-OE2 2.77Å; K265-E290 PolarHBondContact O-N 2.67Å
291	L	98.5	Very high	95.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.8	179.5	-57.2	-176.8	0	0	0	111.2	L162 K166 V168 V190 T261 V263 R293 P295	L162-L291 HydrophobicContact CD2-CD1 3.97Å; K166-L291 WeakPolarHBondContact O-CB 3.43Å; K166-L291 WeakPolarHBondContact O-CG 3.34Å; K166-L291 PolarHBondContact O-N 3.16Å; V168-L291 HydrophobicContact CG2-CD1 4.03Å; V168-L291 HydrophobicContact CG2-CD2 4.17Å; V168-L291 HydrophobicContact CG2-CG 4.21Å; V190-L291 HydrophobicContact CB-CD2 3.72Å; V190-L291 HydrophobicContact CG1-CD2 4.34Å; V190-L291 HydrophobicContact CG2-CD2 3.66Å; T261-L291 HydrophobicContact CG2-CB 4.29Å; V263-L291 HydrophobicContact CG2-CD2 4.37Å; L291-R293 PolarHBondContact O-N 3.19Å; L291-P295 HydrophobicContact CD1-CG 4.29Å
292	K	97.3	Very high	96	Very high	104 Å²	104	40.9 Å²	40.9	45%	0.452	20%	0.198	S	C	.	.	S	Bend	trans	-60.5	-29.5	175.3	-168.6	167	-165.5	142.7	0	113.1	E94 R262	E94-K292 VanDerWaalsContact CD-NZ 3.27Å; E94-K292 IonicContact OE1-NZ 2.93Å; E94-K292 PolarHBondContact OE1-NZ 3.11Å; E94-K292 IonicContact OE2-NZ 2.77Å; E94-K292 PolarHBondContact OE2-NZ 2.86Å; R262-K292 WeakPolarHBondContact O-CB 3.48Å; R262-K292 PolarHBondContact O-N 2.84Å
293	R	96.5	Very high	96.3	Very high	157 Å²	157	40.7 Å²	40.7	59%	0.592	20%	0.197	S	C	*	.	S	Bend	trans	-135.3	133.8	179.9	-64.5	-175.3	-67.5	-164.3	-3.7	110.3	T261 L291 P295	T261-R293 HydrophobicContact CG2-CB 3.96Å; L291-R293 PolarHBondContact O-N 3.19Å; R293-P295 VanDerWaalsContact O-CD 3.25Å; R293-P295 WeakPolarHBondContact O-CD 3.24Å
294	A	96.6	Very high	96.4	Very high	50 Å²	50	40.4 Å²	40.4	41%	0.413	20%	0.195	S	C	.	.			trans	-68.3	117.4	174.4	0	0	0	0	0	110	P165 K166	P165-A294 HydrophobicContact CB-CB 4.48Å; P165-A294 VanDerWaalsContact O-CA 3.27Å; P165-A294 WeakPolarHBondContact O-CA 3.27Å; P165-A294 VanDerWaalsContact O-CB 3.3Å; P165-A294 WeakPolarHBondContact O-CB 3.47Å; K166-A294 HydrophobicContact CD-CB 4.45Å; K166-A294 HydrophobicContact CG-CB 3.69Å
295	P	94.4	Very high	96.2	Very high	20 Å²	20	40.3 Å²	40.3	13%	0.13	20%	0.195	C	C	.	.			trans	-66.9	140.6	169.9	31.1	-39.9	0	0	0	111.1	L162 P165 I192 L291 R293 V297	L162-P295 HydrophobicContact CD1-CG 3.93Å; L162-P295 HydrophobicContact CD2-CG 4.13Å; P165-P295 VanDerWaalsContact O-CD 3.31Å; P165-P295 WeakPolarHBondContact O-CD 3.41Å; I192-P295 HydrophobicContact CD1-CB 3.18Å; I192-P295 HydrophobicContact CD1-CG 3.34Å; L291-P295 HydrophobicContact CD1-CG 4.29Å; R293-P295 VanDerWaalsContact O-CD 3.25Å; R293-P295 WeakPolarHBondContact O-CD 3.24Å; P295-V297 HydrophobicContact CB-CG2 3.98Å; P295-V297 HydrophobicContact CG-CG2 3.99Å; P295-V297 PolarHBondContact O-N 2.77Å
296	K	92.9	Very high	95.7	Very high	197 Å²	197	42.3 Å²	42.3	86%	0.857	21%	0.209	S	C	*	.	S	Bend	trans	-76.4	72	169.4	-58.3	-173.6	-179.5	-170.7	0	110	K194	K194-K296 PolarHBondContact NZ-O 2.84Å; K194-K296 VanDerWaalsContact NZ-O 3.1Å
297	V	93.8	Very high	95.2	Very high	36 Å²	36	42.7 Å²	42.7	22%	0.218	21%	0.212	C	C	.	.	S	Bend	trans	-147.3	158.9	172.5	-61	0	0	0	0	108.1	L162 I192 P295	L162-V297 HydrophobicContact CD1-CG2 3.32Å; I192-V297 HydrophobicContact CG2-CG1 4.04Å; I192-V297 HydrophobicContact CG2-CG2 4.38Å; P295-V297 HydrophobicContact CB-CG2 3.98Å; P295-V297 HydrophobicContact CG-CG2 3.99Å; P295-V297 PolarHBondContact O-N 2.77Å
298	N	95.8	Very high	94.7	Very high	104 Å²	104	42.8 Å²	42.8	56%	0.556	21%	0.212	S	C	*	.			trans	-69.9	159.5	173.8	-65.9	-18.9	0	0	0	110.8	Y146 T150	Y146-N298 HydrophobicContact CD2-CB 3.96Å; T150-N298 WeakPolarHBondContact CG2-O 3.38Å
299	H	97.1	Very high	94	Very high	65 Å²	65	45.8 Å²	45.8	30%	0.301	23%	0.225	S	C	.	.			trans	-116.5	170.3	169.9	54.1	-84.4	0	0	0	109.5	L162 D301	L162-H299 HydrophobicContact CB-CB 4.06Å; L162-H299 WeakPolarHBondContact O-CA 3.27Å; L162-H299 WeakPolarHBondContact O-CB 3.04Å; H299-D301 IonicContact CD2-OD1 3.74Å
300	M	97.3	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	C	.	.			trans	-113.4	132.8	175	-167.9	174.9	-52.4	0	0	110.2	Y146 P147 T150 L162 V163 Y360 R373 I375	Y146-M300 HydrophobicContact CE2-CB 4.45Å; Y146-M300 HydrophobicContact CE2-CE 4.33Å; P147-M300 HydrophobicContact CB-CE 3.72Å; T150-M300 HydrophobicContact CG2-CB 4.4Å; L162-M300 PolarHBondContact O-N 3.2Å; V163-M300 WeakPolarHBondContact CA-O 3.4Å; M300-Y360 HydrophobicContact CE-CD1 3.92Å; M300-Y360 HydrophobicContact CE-CD2 4.35Å; M300-Y360 HydrophobicContact CE-CE1 4.27Å; M300-Y360 HydrophobicContact CE-CG 3.98Å; M300-Y360 VanDerWaalsContact SD-CB 3.52Å; M300-Y360 HydrophobicContact SD-CD1 4.11Å; M300-Y360 HydrophobicContact SD-CD2 4.36Å; M300-Y360 HydrophobicContact SD-CG 3.76Å; M300-R373 HydrophobicContact CE-CB 4.12Å; M300-R373 WeakPolarHBondContact CG-O 3.04Å; M300-R373 HydrophobicContact SD-CB 3.82Å; M300-I375 HydrophobicContact CB-CD1 4.12Å; M300-I375 HydrophobicContact CB-CG1 3.94Å; M300-I375 HydrophobicContact CE-CD1 4.33Å; M300-I375 HydrophobicContact CG-CD1 4.08Å; M300-I375 HydrophobicContact CG-CG1 3.91Å; M300-I375 HydrophobicContact SD-CD1 3.44Å; M300-I375 WeakPolarHBondContact SD-CD1 3.1Å; M300-I375 HydrophobicContact SD-CG1 3.87Å
301	D	96.1	Very high	92.6	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	155.2	178.4	-59.8	-15.6	0	0	0	110.9	H299 K372 K374 I375	H299-D301 IonicContact CD2-OD1 3.74Å; D301-K372 WeakPolarHBondContact OD2-CE 2.94Å; D301-K372 IonicContact OD2-NZ 3.8Å; D301-K372 PolarHBondContact OD2-NZ 3.5Å; D301-K374 HydrophobicContact CB-CG 4.33Å; D301-K374 CarbonylContact O-C 3.53Å; D301-K374 WeakPolarHBondContact O-CA 3.37Å; D301-K374 WeakPolarHBondContact O-CB 3.22Å; D301-I375 PolarHBondContact O-N 2.54Å
302	L	96.6	Very high	91.6	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.094	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	152.3	170.6	-57.3	-178.2	0	0	0	110.4	V163 L169 K374 I375 I402 Y407 I410	V163-L302 HydrophobicContact CB-CD2 4.03Å; V163-L302 HydrophobicContact CB-CG 4.48Å; V163-L302 HydrophobicContact CG1-CD2 3.63Å; L169-L302 HydrophobicContact CD2-CD2 4.23Å; L302-K374 WeakPolarHBondContact O-CD 3.4Å; L302-I375 CarbonylContact C-O 3.44Å; L302-I375 HydrophobicContact CD2-CB 3.87Å; L302-I375 HydrophobicContact CD2-CG1 4.46Å; L302-I375 HydrophobicContact CD2-CG2 4.25Å; L302-I402 HydrophobicContact CD2-CD1 3.74Å; L302-Y407 HydrophobicContact CB-CD2 3.66Å; L302-Y407 HydrophobicContact CB-CE2 3.48Å; L302-Y407 VanDerWaalsContact CB-CE2 3.48Å; L302-Y407 HydrophobicContact CD1-CD2 4.4Å; L302-I410 HydrophobicContact CD1-CB 3.97Å; L302-I410 HydrophobicContact CD1-CD1 4.46Å; L302-I410 HydrophobicContact CD1-CG2 3.45Å; L302-I410 VanDerWaalsContact CD1-CG2 3.45Å
303	G	94.8	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.			trans	-144.8	152.3	174.3	0	0	0	0	0	111.3	I375	G303-I375 PolarHBondContact N-O 2.88Å
304	V	93.9	Very high	90.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.241	C	C	.	.			trans	-112	134.8	175.9	177.4	0	0	0	0	108.6	W37 I402 P404 Y407 A424	W37-V304 HydrophobicContact CG-CB 4.47Å; W37-V304 HydrophobicContact CG-CG1 4.23Å; V304-I402 HydrophobicContact CG2-CG2 4.35Å; V304-P404 HydrophobicContact CG1-CG 4.02Å; V304-Y407 HydrophobicContact CG2-CD2 3.88Å; V304-Y407 HydrophobicContact CG2-CG 3.99Å; V304-A424 HydrophobicContact CB-CB 4.04Å; V304-A424 HydrophobicContact CG2-CB 3.66Å
305	I	90.9	Very high	89.9	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.062	24%	0.243	C	C	.	.			trans	-134.8	130.4	175.4	-166.2	170.5	0	0	0	110.6	S307 V308 L311 I361 L363 I376 R401	I305-S307 PolarHBondContact O-N 2.92Å; I305-V308 HydrophobicContact CG2-CG2 3.68Å; I305-L311 HydrophobicContact CD1-CD1 3.31Å; I305-L311 HydrophobicContact CD1-CD2 3.85Å; I305-L311 HydrophobicContact CD1-CG 3.6Å; I305-I361 HydrophobicContact CD1-CD1 3.59Å; I305-L363 HydrophobicContact CD1-CD1 4.31Å; I305-I376 HydrophobicContact CG2-CB 4.3Å; I305-I376 HydrophobicContact CG2-CD1 4.1Å; I305-I376 HydrophobicContact CG2-CG2 4.15Å; I305-R401 PolarHBondContact O-NH2 3.19Å
306	P	85.2	Confident	90	Very high	43 Å²	43	46.7 Å²	46.7	28%	0.279	24%	0.237	S	C	.	.	S	Bend	trans	-67.4	-36.9	-176.8	25.8	-36.5	0	0	0	112.6	W37 R401	W37-P306 HydrophobicContact CH2-CB 3.88Å; W37-P306 HydrophobicContact CH2-CG 4.22Å; W37-P306 HydrophobicContact CZ2-CB 3.61Å; W37-P306 HydrophobicContact CZ2-CG 3.49Å; W37-P306 VanDerWaalsContact CZ2-CG 3.49Å; P306-R401 PolarHBondContact O-NH2 3.49Å
307	S	87.4	Confident	90.2	Very high	11 Å²	11	39 Å²	39	8%	0.077	20%	0.204	C	C	.	.			trans	-152.3	125.1	177.7	179.8	0	0	0	0	110.2	I305 K309 K310 E339	I305-S307 PolarHBondContact O-N 2.92Å; S307-K309 PolarHBondContact OG-N 2.65Å; S307-K310 PolarHBondContact OG-N 3.47Å; S307-E339 VanDerWaalsContact CA-OE1 3.22Å; S307-E339 WeakPolarHBondContact CA-OE1 3.26Å; S307-E339 WeakPolarHBondContact CB-OE1 3.34Å; S307-E339 PolarHBondContact OG-OE1 3.43Å
308	V	86.7	Confident	90.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-79.1	-32.8	174.3	-177.3	0	0	0	0	109.5	I305 K310 L311 G314 I316 V336 E339 L344 I376	I305-V308 HydrophobicContact CG2-CG2 3.68Å; V308-K310 PolarHBondContact O-N 2.87Å; V308-L311 VanDerWaalsContact O-CB 3.3Å; V308-L311 WeakPolarHBondContact O-CB 2.98Å; V308-L311 PolarHBondContact O-N 3.16Å; V308-G314 WeakPolarHBondContact O-CA 3.41Å; V308-I316 HydrophobicContact CG1-CG2 3.77Å; V308-V336 HydrophobicContact CB-CG2 4.11Å; V308-V336 HydrophobicContact CG1-CB 4.28Å; V308-V336 HydrophobicContact CG1-CG2 3.65Å; V308-E339 PolarHBondContact N-OE2 2.97Å; V308-L344 HydrophobicContact CG2-CD1 4.32Å; V308-L344 HydrophobicContact CG2-CD2 4.05Å; V308-I376 HydrophobicContact CG2-CD1 3.57Å
309	K	84.6	Confident	90.4	Very high	63 Å²	63	32.5 Å²	32.5	27%	0.274	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.5	177.3	-66.2	-178.1	77	174.9	0	113.3	S119 S307 L311 V336 S337 E338 E339	S119-K309 PolarHBondContact O-NZ 3.42Å; S119-K309 PolarHBondContact OG-NZ 3.23Å; S307-K309 PolarHBondContact OG-N 2.65Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-V336 HydrophobicContact CG-CG1 4.2Å; K309-S337 WeakPolarHBondContact CE-O 3.15Å; K309-S337 PolarHBondContact NZ-O 3.39Å; K309-E338 IonicContact NZ-OE1 3.07Å; K309-E338 IonicContact NZ-OE2 3.22Å; K309-E338 PolarHBondContact NZ-OE2 3.11Å; K309-E339 HydrophobicContact CD-CG 3.89Å; K309-E339 HydrophobicContact CG-CG 4.15Å; K309-E339 PolarHBondContact N-OE2 2.72Å
310	K	84.2	Confident	90.4	Very high	119 Å²	119	29.4 Å²	29.4	52%	0.517	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.5	175	-68.8	-177.1	-174.4	-179	0	113.5	N117 S307 V308	N117-K310 VanDerWaalsContact ND2-CE 3.26Å; N117-K310 WeakPolarHBondContact ND2-CE 3.15Å; S307-K310 PolarHBondContact OG-N 3.47Å; V308-K310 PolarHBondContact O-N 2.87Å
311	L	84.3	Confident	90.3	Very high	25 Å²	25	29.6 Å²	29.6	13%	0.131	15%	0.154	C	C	.	.	S	Bend	trans	-75.5	149.9	174.7	-66.8	-178.9	0	0	0	110.9	Q31 I305 V308 K309 A313 G314 I361 L363	Q31-L311 WeakPolarHBondContact O-CD2 3.11Å; I305-L311 HydrophobicContact CD1-CD1 3.31Å; I305-L311 HydrophobicContact CD1-CD2 3.85Å; I305-L311 HydrophobicContact CD1-CG 3.6Å; V308-L311 VanDerWaalsContact O-CB 3.3Å; V308-L311 WeakPolarHBondContact O-CB 2.98Å; V308-L311 PolarHBondContact O-N 3.16Å; K309-L311 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.95Å; L311-A313 VanDerWaalsContact O-N 3.16Å; L311-G314 PolarHBondContact O-N 3.11Å; L311-I361 HydrophobicContact CD1-CD1 3.55Å; L311-L363 HydrophobicContact CD1-CD2 4.3Å; L311-L363 HydrophobicContact CD2-CD1 4.3Å; L311-L363 HydrophobicContact CD2-CD2 4.01Å
312	P	77	Confident	90.2	Very high	44 Å²	44	27 Å²	27	29%	0.286	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-52	122.5	172.4	-31.9	41	0	0	0	112	Y32 G314	Y32-P312 HydrophobicContact CD1-CG 4.48Å; Y32-P312 HydrophobicContact CE1-CB 3.96Å; Y32-P312 HydrophobicContact CE1-CG 3.69Å; Y32-P312 HydrophobicContact CE2-CG 3.95Å; Y32-P312 VanDerWaalsContact OH-CB 3.27Å; Y32-P312 WeakPolarHBondContact OH-CB 3.47Å; Y32-P312 VanDerWaalsContact OH-CG 3.28Å; Y32-P312 WeakPolarHBondContact OH-CG 3.38Å; P312-G314 PolarHBondContact O-N 3.09Å; P312-G314 VanDerWaalsContact O-N 3.11Å
313	A	78.9	Confident	90	Very high	61 Å²	61	29.9 Å²	29.9	50%	0.504	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	60.2	6	-174	0	0	0	0	0	116.3	L311 R315 S335	L311-A313 PolarHBondContact O-N 2.95Å; L311-A313 VanDerWaalsContact O-N 3.16Å; A313-R315 HydrophobicContact CB-CB 4.42Å; A313-R315 PolarHBondContact O-N 2.55Å; A313-S335 WeakPolarHBondContact O-CB 3.03Å; A313-S335 PolarHBondContact O-OG 3.08Å
314	G	85.1	Confident	89.8	Confident	5 Å²	5	33.7 Å²	33.7	5%	0.052	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	49.8	30	-179.8	0	0	0	0	0	113.8	V308 L311 P312 S335 V336	V308-G314 WeakPolarHBondContact O-CA 3.41Å; L311-G314 PolarHBondContact O-N 3.11Å; P312-G314 PolarHBondContact O-N 3.09Å; P312-G314 VanDerWaalsContact O-N 3.11Å; G314-S335 WeakPolarHBondContact O-CA 3.37Å; G314-V336 PolarHBondContact O-N 3.02Å
315	R	91.1	Very high	89.6	Confident	119 Å²	119	36 Å²	36	45%	0.449	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.8	-161.6	-173	177.4	-64.2	-172.7	1.4	111.6	A313 F333 C334 I361	A313-R315 HydrophobicContact CB-CB 4.42Å; A313-R315 PolarHBondContact O-N 2.55Å; R315-F333 HydrophobicContact CG-CB 4.42Å; R315-F333 HydrophobicContact CG-CD2 4.29Å; R315-C334 WeakPolarHBondContact CA-O 3.47Å; R315-I361 WeakPolarHBondContact O-CG2 3.31Å
316	I	95.8	Very high	89.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.9	173.8	55.2	162.3	0	0	0	111	V308 F333 C334 V336 Q346 V359 I361 I376	V308-I316 HydrophobicContact CG1-CG2 3.77Å; I316-F333 WeakPolarHBondContact O-CA 3.41Å; I316-F333 VanDerWaalsContact O-CB 3.3Å; I316-F333 WeakPolarHBondContact O-CB 3.15Å; I316-C334 WeakPolarHBondContact CG1-O 3.3Å; I316-C334 PolarHBondContact N-O 2.85Å; I316-C334 PolarHBondContact O-N 3.11Å; I316-V336 HydrophobicContact CD1-CG2 4.04Å; I316-V336 HydrophobicContact CG1-CG2 4.12Å; I316-V336 HydrophobicContact CG2-CG2 3.69Å; I316-Q346 HydrophobicContact CD1-CB 4.02Å; I316-Q346 HydrophobicContact CD1-CG 3.78Å; I316-V359 HydrophobicContact CB-CG1 3.82Å; I316-V359 HydrophobicContact CD1-CG1 3.98Å; I316-V359 HydrophobicContact CG1-CG1 4.49Å; I316-V359 HydrophobicContact CG2-CG1 4.09Å; I316-I361 HydrophobicContact CG2-CG2 4.01Å; I316-I376 HydrophobicContact CG2-CD1 4.26Å
317	H	96.8	Very high	89.3	Confident	36 Å²	36	40.3 Å²	40.3	17%	0.167	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.8	-179	-59.3	-93.2	0	0	0	109.7	Y331 F333 V359 Y360	H317-Y331 HydrophobicContact CB-CE2 4.2Å; H317-Y331 PolarHBondContact CE1-OH 3.47Å; H317-Y331 AromaticContact ND1-CE2 3.85Å; H317-Y331 AromaticContact ND1-CZ 3.75Å; H317-Y331 PolarHBondContact ND1-OH 3.39Å; H317-F333 WeakPolarHBondContact ND1-CB 3.39Å; H317-V359 WeakPolarHBondContact O-CA 3.11Å; H317-Y360 HydrophobicContact CB-CD1 4.47Å; H317-Y360 HydrophobicContact CB-CD2 3.83Å; H317-Y360 HydrophobicContact CB-CE1 4.12Å; H317-Y360 HydrophobicContact CB-CE2 3.39Å; H317-Y360 HydrophobicContact CB-CG 4.34Å; H317-Y360 PolarHBondContact N-O 3.3Å; H317-Y360 WeakPolarHBondContact O-CD1 2.99Å; H317-Y360 PolarHBondContact O-N 3.28Å
318	F	97.4	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.9	164.7	63.6	-86.1	0	0	0	111.5	R332 C348 G358 V359 F379	F318-R332 HydrophobicContact CD1-CG 3.98Å; F318-R332 HydrophobicContact CD2-CG 4.14Å; F318-R332 HydrophobicContact CE1-CG 3.69Å; F318-R332 HydrophobicContact CE2-CG 3.86Å; F318-R332 HydrophobicContact CG-CG 4.21Å; F318-R332 HydrophobicContact CZ-CG 3.63Å; F318-R332 PolarHBondContact N-O 2.91Å; F318-R332 VanDerWaalsContact N-O 3.16Å; F318-R332 PolarHBondContact O-N 3.43Å; F318-R332 VanDerWaalsContact O-N 3.08Å; F318-C348 HydrophobicContact CE1-CB 3.48Å; F318-C348 VanDerWaalsContact CE1-CB 3.48Å; F318-C348 VanDerWaalsContact CE1-SG 3.6Å; F318-C348 HydrophobicContact CZ-CB 3.87Å; F318-G358 VanDerWaalsContact CB-O 3.26Å; F318-G358 WeakPolarHBondContact CB-O 3.16Å; F318-V359 HydrophobicContact CB-CG2 4.33Å; F318-V359 HydrophobicContact CD1-CG2 4.33Å; F318-F379 HydrophobicContact CE1-CD2 4.03Å; F318-F379 HydrophobicContact CE1-CE2 4.38Å; F318-F379 HydrophobicContact CE2-CD2 4Å; F318-F379 HydrophobicContact CE2-CE2 4.31Å; F318-F379 HydrophobicContact CE2-CG 4.15Å; F318-F379 AromaticContact CZ-CD2 3.59Å; F318-F379 HydrophobicContact CZ-CD2 3.59Å; F318-F379 AromaticContact CZ-CE2 3.72Å; F318-F379 HydrophobicContact CZ-CE2 3.72Å; F318-F379 HydrophobicContact CZ-CG 4.21Å; F318-F379 HydrophobicContact CZ-CZ 4.48Å
319	S	97.1	Very high	89.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.5	175.1	-59.6	0	0	0	0	109.6	F148 S151 V330 Y331	F148-S319 WeakPolarHBondContact CD1-OG 3.28Å; S151-S319 WeakPolarHBondContact OG-CB 3.35Å; S151-S319 PolarHBondContact OG-O 3.02Å; S319-V330 VanDerWaalsContact CA-O 3.29Å; S319-V330 WeakPolarHBondContact CA-O 3.4Å; S319-Y331 WeakPolarHBondContact OG-CD2 3.26Å
320	G	96.5	Very high	90.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-178.9	-172.8	0	0	0	0	0	111.8	V330 S357	G320-V330 PolarHBondContact N-O 3.2Å; G320-V330 PolarHBondContact O-N 2.82Å; G320-S357 VanDerWaalsContact CA-OG 3.28Å; G320-S357 WeakPolarHBondContact CA-OG 3.46Å
321	F	95.8	Very high	90.9	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	21%	0.205	C	C	.	.			trans	-117.6	86.4	-177.1	-64.1	-80.3	0	0	0	110.7	V152 K153 S159 L193 F258 N328 L329 G353	V152-F321 WeakPolarHBondContact O-CD2 3.38Å; K153-F321 HydrophobicContact CB-CD2 3.91Å; K153-F321 HydrophobicContact CB-CE2 4.3Å; K153-F321 HydrophobicContact CB-CG 4.24Å; K153-F321 HydrophobicContact CD-CB 3.48Å; K153-F321 VanDerWaalsContact CD-CB 3.48Å; K153-F321 HydrophobicContact CD-CD2 4.29Å; K153-F321 HydrophobicContact CD-CG 4.02Å; K153-F321 PolarHBondContact NZ-O 3.33Å; S159-F321 PolarHBondContact OG-N 2.87Å; L193-F321 HydrophobicContact CB-CZ 4.43Å; F258-F321 HydrophobicContact CE1-CD1 4.04Å; F258-F321 AromaticContact CE1-CE1 3.52Å; F258-F321 HydrophobicContact CE1-CE1 3.52Å; F258-F321 HydrophobicContact CE1-CE2 4.12Å; F258-F321 AromaticContact CE1-CZ 3.58Å; F258-F321 HydrophobicContact CE1-CZ 3.58Å; F258-F321 AromaticContact CZ-CD1 3.66Å; F258-F321 HydrophobicContact CZ-CD1 3.66Å; F258-F321 AromaticContact CZ-CE1 3.53Å; F258-F321 HydrophobicContact CZ-CE1 3.53Å; F258-F321 HydrophobicContact CZ-CG 4.29Å; F258-F321 HydrophobicContact CZ-CZ 4.07Å; F321-N328 WeakPolarHBondContact CD1-O 3.28Å; F321-L329 HydrophobicContact CD1-CD1 4.37Å; F321-L329 HydrophobicContact CD2-CD1 4.38Å; F321-L329 HydrophobicContact CE1-CB 4.01Å; F321-L329 HydrophobicContact CE1-CD1 3.88Å; F321-L329 HydrophobicContact CE2-CD1 3.88Å; F321-L329 HydrophobicContact CZ-CB 4.41Å; F321-L329 HydrophobicContact CZ-CD1 3.6Å; F321-G353 CarbonylContact O-C 3.59Å; F321-G353 VanDerWaalsContact O-C 3.27Å; F321-G353 VanDerWaalsContact O-O 3.13Å
322	D	94.4	Very high	91.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.			trans	-68	142.5	177.7	-55.6	21.8	0	0	0	110.8	R134 D324 R325 V330 R332 K351 S354	R134-D322 WeakPolarHBondContact CD-OD2 3.44Å; R134-D322 IonicContact CZ-OD2 2.71Å; R134-D322 IonicContact NH1-OD2 2.81Å; R134-D322 PolarHBondContact NH1-OD2 3.25Å; D322-D324 VanDerWaalsContact C-N 3.3Å; D322-D324 WeakPolarHBondContact CB-OD1 3.39Å; D322-D324 PolarHBondContact O-N 3.47Å; D322-R325 CarbonylContact O-C 3.58Å; D322-R325 PolarHBondContact O-N 3.18Å; D322-R325 VanDerWaalsContact O-N 3.16Å; D322-V330 HydrophobicContact CB-CG2 4.45Å; D322-R332 IonicContact OD1-CZ 2.78Å; D322-R332 IonicContact OD1-NH1 3.83Å; D322-R332 PolarHBondContact OD1-NH1 3.02Å; D322-R332 VanDerWaalsContact OD1-NH1 3.17Å; D322-R332 IonicContact OD1-NH2 3.88Å; D322-R332 PolarHBondContact OD1-NH2 2.9Å; D322-R332 IonicContact OD2-CZ 3.88Å; D322-R332 IonicContact OD2-NH1 3.54Å; D322-R332 PolarHBondContact OD2-NH1 2.75Å; D322-R332 IonicContact OD2-NH2 2.92Å; D322-K351 HydrophobicContact CB-CB 4.17Å; D322-S354 WeakPolarHBondContact OD1-CB 3.3Å
323	D	91.6	Very high	92.2	Very high	80 Å²	80	36.2 Å²	36.2	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-23.6	-174.9	-66.8	-25.1	0	0	0	112.7	K153 R325 P352 G353	K153-D323 IonicContact NZ-OD1 2.71Å; K153-D323 PolarHBondContact NZ-OD1 3.46Å; D323-R325 PolarHBondContact O-N 2.92Å; D323-P352 WeakPolarHBondContact CB-O 3.43Å; D323-P352 VanDerWaalsContact CG-O 3.23Å; D323-P352 PolarHBondContact N-O 3.33Å; D323-G353 PolarHBondContact OD2-N 3.02Å
324	D	90.8	Very high	92.9	Very high	79 Å²	79	34.1 Å²	34.1	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.7	173	70.9	-36.9	0	0	0	113.1	R134 D322 P326	R134-D324 IonicContact CZ-OD1 3.62Å; R134-D324 IonicContact CZ-OD2 2.76Å; R134-D324 VanDerWaalsContact CZ-OD2 3.3Å; R134-D324 VanDerWaalsContact NH1-CG 3.33Å; R134-D324 IonicContact NH1-OD1 3.67Å; R134-D324 PolarHBondContact NH1-OD1 3.39Å; R134-D324 IonicContact NH1-OD2 3.92Å; R134-D324 PolarHBondContact NH1-OD2 3.46Å; R134-D324 IonicContact NH2-OD2 3.58Å; R134-D324 PolarHBondContact NH2-OD2 2.88Å; D322-D324 VanDerWaalsContact C-N 3.3Å; D322-D324 WeakPolarHBondContact CB-OD1 3.39Å; D322-D324 PolarHBondContact O-N 3.47Å; D324-P326 VanDerWaalsContact C-CD 3.47Å
325	R	89.3	Confident	93.2	Very high	49 Å²	49	36.8 Å²	36.8	19%	0.185	20%	0.198	C	C	.	.	S	Bend	trans	-127.5	60.9	178.6	-60	-172.8	-177	-173	9.5	110.9	D132 R134 T136 D322 D323 G327 N328 V330	D132-R325 IonicContact OD1-NH2 2.67Å; D132-R325 IonicContact OD2-CZ 2.73Å; D132-R325 IonicContact OD2-NH2 3.97Å; D132-R325 PolarHBondContact OD2-NH2 2.93Å; R134-R325 PolarHBondContact O-NH1 3.17Å; R134-R325 PolarHBondContact O-NH2 3.47Å; T136-R325 WeakPolarHBondContact OG1-CD 3.34Å; T136-R325 PolarHBondContact OG1-NH1 3.1Å; D322-R325 CarbonylContact O-C 3.58Å; D322-R325 PolarHBondContact O-N 3.18Å; D322-R325 VanDerWaalsContact O-N 3.16Å; D323-R325 PolarHBondContact O-N 2.92Å; R325-G327 PolarHBondContact O-N 3.09Å; R325-N328 HydrophobicContact CB-CB 4.48Å; R325-N328 PolarHBondContact O-N 3.43Å; R325-N328 VanDerWaalsContact O-N 3.1Å; R325-V330 HydrophobicContact CB-CG2 3.88Å; R325-V330 HydrophobicContact CG-CG2 4.33Å
326	P	86.9	Confident	93.2	Very high	105 Å²	105	31.7 Å²	31.7	68%	0.682	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	131.2	-168.5	25.1	-35.1	0	0	0	112.6	D324 N328	D324-P326 VanDerWaalsContact C-CD 3.47Å; P326-N328 PolarHBondContact O-N 2.02Å
327	G	84.5	Confident	92.8	Very high	42 Å²	42	33.3 Å²	33.3	43%	0.433	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-3.6	178.8	0	0	0	0	0	115.2	R325	R325-G327 PolarHBondContact O-N 3.09Å
328	N	90.3	Very high	92.3	Very high	64 Å²	64	32.4 Å²	32.4	34%	0.342	19%	0.188	S	C	.	.			trans	-101	141.4	175.1	-62.3	-53.3	0	0	0	110.8	T136 F321 R325 P326	T136-N328 HydrophobicContact CG2-CB 3.77Å; F321-N328 WeakPolarHBondContact CD1-O 3.28Å; R325-N328 HydrophobicContact CB-CB 4.48Å; R325-N328 PolarHBondContact O-N 3.43Å; R325-N328 VanDerWaalsContact O-N 3.1Å; P326-N328 PolarHBondContact O-N 2.02Å
329	L	94.4	Very high	91.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.3	169.4	-175.5	72.1	0	0	0	109.2	I137 F148 L193 F321	I137-L329 HydrophobicContact CD1-CD2 4.16Å; I137-L329 PolarHBondContact N-O 3.32Å; F148-L329 HydrophobicContact CB-CD2 3.55Å; F148-L329 HydrophobicContact CD1-CD2 4.27Å; F148-L329 HydrophobicContact CG-CD2 4.22Å; L193-L329 HydrophobicContact CD2-CB 4.49Å; F321-L329 HydrophobicContact CD1-CD1 4.37Å; F321-L329 HydrophobicContact CD2-CD1 4.38Å; F321-L329 HydrophobicContact CE1-CB 4.01Å; F321-L329 HydrophobicContact CE1-CD1 3.88Å; F321-L329 HydrophobicContact CE2-CD1 3.88Å; F321-L329 HydrophobicContact CZ-CB 4.41Å; F321-L329 HydrophobicContact CZ-CD1 3.6Å
330	V	95.4	Very high	91.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.1	-175.6	-176.5	0	0	0	0	108.9	R134 S319 G320 D322 R325 R332	R134-V330 HydrophobicContact CB-CG1 3.59Å; R134-V330 HydrophobicContact CG-CG1 4.21Å; S319-V330 VanDerWaalsContact CA-O 3.29Å; S319-V330 WeakPolarHBondContact CA-O 3.4Å; G320-V330 PolarHBondContact N-O 3.2Å; G320-V330 PolarHBondContact O-N 2.82Å; D322-V330 HydrophobicContact CB-CG2 4.45Å; R325-V330 HydrophobicContact CB-CG2 3.88Å; R325-V330 HydrophobicContact CG-CG2 4.33Å; V330-R332 VanDerWaalsContact CG1-NH2 3.3Å; V330-R332 PolarHBondContact O-NH2 3.41Å
331	Y	96.2	Very high	90.7	Very high	42 Å²	42	38.7 Å²	38.7	17%	0.165	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.9	178.9	163.6	-106.2	0	0	0	111.1	F135 I137 F148 H317 S319 F333	F135-Y331 HydrophobicContact CB-CD1 4.2Å; F135-Y331 HydrophobicContact CD2-CD1 4.03Å; F135-Y331 HydrophobicContact CD2-CE1 4.33Å; F135-Y331 HydrophobicContact CG-CD1 4.44Å; F135-Y331 PolarHBondContact N-O 3.4Å; F135-Y331 PolarHBondContact O-N 3.41Å; I137-Y331 HydrophobicContact CD1-CG 4.45Å; F148-Y331 AromaticContact CE1-CD2 3.72Å; F148-Y331 HydrophobicContact CE1-CD2 3.72Å; F148-Y331 HydrophobicContact CE1-CE2 4.38Å; F148-Y331 AromaticContact CE1-CG 3.91Å; F148-Y331 HydrophobicContact CE1-CG 3.91Å; F148-Y331 HydrophobicContact CZ-CD2 4.44Å; F148-Y331 HydrophobicContact CZ-CG 4.43Å; H317-Y331 HydrophobicContact CB-CE2 4.2Å; H317-Y331 PolarHBondContact CE1-OH 3.47Å; H317-Y331 AromaticContact ND1-CE2 3.85Å; H317-Y331 AromaticContact ND1-CZ 3.75Å; H317-Y331 PolarHBondContact ND1-OH 3.39Å; S319-Y331 WeakPolarHBondContact OG-CD2 3.26Å; Y331-F333 AromaticContact CE1-CD1 3.86Å; Y331-F333 HydrophobicContact CE1-CD1 3.86Å; Y331-F333 HydrophobicContact CE1-CE1 4.47Å; Y331-F333 AromaticContact CZ-CD1 3.9Å
332	R	94.4	Very high	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.6	173.4	64.4	-137.8	89.6	-174.6	5.3	112.3	F318 D322 V330 C348 D349	F318-R332 HydrophobicContact CD1-CG 3.98Å; F318-R332 HydrophobicContact CD2-CG 4.14Å; F318-R332 HydrophobicContact CE1-CG 3.69Å; F318-R332 HydrophobicContact CE2-CG 3.86Å; F318-R332 HydrophobicContact CG-CG 4.21Å; F318-R332 HydrophobicContact CZ-CG 3.63Å; F318-R332 PolarHBondContact N-O 2.91Å; F318-R332 VanDerWaalsContact N-O 3.16Å; F318-R332 PolarHBondContact O-N 3.43Å; F318-R332 VanDerWaalsContact O-N 3.08Å; D322-R332 IonicContact OD1-CZ 2.78Å; D322-R332 IonicContact OD1-NH1 3.83Å; D322-R332 PolarHBondContact OD1-NH1 3.02Å; D322-R332 VanDerWaalsContact OD1-NH1 3.17Å; D322-R332 IonicContact OD1-NH2 3.88Å; D322-R332 PolarHBondContact OD1-NH2 2.9Å; D322-R332 IonicContact OD2-CZ 3.88Å; D322-R332 IonicContact OD2-NH1 3.54Å; D322-R332 PolarHBondContact OD2-NH1 2.75Å; D322-R332 IonicContact OD2-NH2 2.92Å; V330-R332 VanDerWaalsContact CG1-NH2 3.3Å; V330-R332 PolarHBondContact O-NH2 3.41Å; R332-C348 HydrophobicContact CG-CB 4.22Å; R332-D349 WeakPolarHBondContact CD-O 3.21Å; R332-D349 PolarHBondContact NH1-O 3.32Å
333	F	94.1	Very high	90.2	Very high	69 Å²	69	39.6 Å²	39.6	30%	0.303	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.4	172.2	65.6	-85.5	0	0	0	109	F135 R315 I316 H317 Y331	F135-F333 HydrophobicContact CE2-CD1 4.29Å; F135-F333 AromaticContact CE2-CE1 3.68Å; F135-F333 HydrophobicContact CE2-CE1 3.68Å; F135-F333 HydrophobicContact CZ-CE1 4.33Å; R315-F333 HydrophobicContact CG-CB 4.42Å; R315-F333 HydrophobicContact CG-CD2 4.29Å; I316-F333 WeakPolarHBondContact O-CA 3.41Å; I316-F333 VanDerWaalsContact O-CB 3.3Å; I316-F333 WeakPolarHBondContact O-CB 3.15Å; H317-F333 WeakPolarHBondContact ND1-CB 3.39Å; Y331-F333 AromaticContact CE1-CD1 3.86Å; Y331-F333 HydrophobicContact CE1-CD1 3.86Å; Y331-F333 HydrophobicContact CE1-CE1 4.47Å; Y331-F333 AromaticContact CZ-CD1 3.9Å
334	C	92	Very high	90.3	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.115	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.3	174.6	66.4	0	0	0	0	108.9	R315 I316 Q346 C348	R315-C334 WeakPolarHBondContact CA-O 3.47Å; I316-C334 WeakPolarHBondContact CG1-O 3.3Å; I316-C334 PolarHBondContact N-O 2.85Å; I316-C334 PolarHBondContact O-N 3.11Å; C334-Q346 PolarHBondContact SG-OE1 3.33Å; C334-C348 HydrophobicContact CB-CB 3.89Å; C334-C348 WeakPolarHBondContact CB-SG 3.13Å; C334-C348 PolarHBondContact N-SG 2.56Å; C334-C348 WeakPolarHBondContact SG-CA 3.37Å; C334-C348 WeakPolarHBondContact SG-CB 3.33Å; C334-C348 PolarHBondContact SG-N 3.14Å; C334-C348 CovalentContact SG-SG 2.02Å; C334-C348 PolarHBondContact SG-SG 3.19Å
335	S	92	Very high	90.2	Very high	61 Å²	61	32.1 Å²	32.1	43%	0.427	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.8	171.6	-63.2	0	0	0	0	110.4	A313 G314 S337	A313-S335 WeakPolarHBondContact O-CB 3.03Å; A313-S335 PolarHBondContact O-OG 3.08Å; G314-S335 WeakPolarHBondContact O-CA 3.37Å; S335-S337 PolarHBondContact O-N 3.08Å
336	V	91.1	Very high	90.3	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.3	169.1	176	0	0	0	0	109	V308 K309 G314 I316 E338 E339 L344	V308-V336 HydrophobicContact CB-CG2 4.11Å; V308-V336 HydrophobicContact CG1-CB 4.28Å; V308-V336 HydrophobicContact CG1-CG2 3.65Å; K309-V336 HydrophobicContact CG-CG1 4.2Å; G314-V336 PolarHBondContact O-N 3.02Å; I316-V336 HydrophobicContact CD1-CG2 4.04Å; I316-V336 HydrophobicContact CG1-CG2 4.12Å; I316-V336 HydrophobicContact CG2-CG2 3.69Å; V336-E338 WeakPolarHBondContact CG1-O 3.36Å; V336-E339 HydrophobicContact CG1-CB 4.31Å; V336-L344 HydrophobicContact CG1-CB 4.49Å; V336-L344 HydrophobicContact CG1-CD2 4.31Å; V336-L344 HydrophobicContact CG2-CD1 4.46Å
337	S	88.3	Confident	90.4	Very high	34 Å²	34	26.7 Å²	26.7	24%	0.238	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-53.4	179.6	-59.8	0	0	0	0	110.2	K309 S335 Y345 Y347	K309-S337 WeakPolarHBondContact CE-O 3.15Å; K309-S337 PolarHBondContact NZ-O 3.39Å; S335-S337 PolarHBondContact O-N 3.08Å; S337-Y345 PolarHBondContact N-O 2.93Å; S337-Y347 WeakPolarHBondContact OG-CD2 3.48Å; S337-Y347 WeakPolarHBondContact OG-CE2 3.27Å
338	E	85.3	Confident	90.7	Very high	17 Å²	17	24.7 Å²	24.7	8%	0.079	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.2	178.4	-66.1	-61.2	165.3	0	0	110.4	I69 K309 V336 Y345	I69-E338 HydrophobicContact CD1-CB 3.55Å; I69-E338 HydrophobicContact CD1-CG 4.02Å; K309-E338 IonicContact NZ-OE1 3.07Å; K309-E338 IonicContact NZ-OE2 3.22Å; K309-E338 PolarHBondContact NZ-OE2 3.11Å; V336-E338 WeakPolarHBondContact CG1-O 3.36Å; E338-Y345 HydrophobicContact CB-CD2 4.26Å; E338-Y345 HydrophobicContact CB-CG 4.48Å; E338-Y345 PolarHBondContact N-O 2.81Å; E338-Y345 VanDerWaalsContact N-O 3.12Å; E338-Y345 WeakPolarHBondContact O-CA 3.38Å; E338-Y345 WeakPolarHBondContact O-CB 3.32Å; E338-Y345 PolarHBondContact O-N 2.76Å; E338-Y345 VanDerWaalsContact O-O 3.11Å
339	E	86.9	Confident	90.6	Very high	36 Å²	36	21.7 Å²	21.7	17%	0.168	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.9	176.3	65.4	-178	-153.4	0	0	109.6	S307 V308 K309 V336 L343 L344 R401	S307-E339 VanDerWaalsContact CA-OE1 3.22Å; S307-E339 WeakPolarHBondContact CA-OE1 3.26Å; S307-E339 WeakPolarHBondContact CB-OE1 3.34Å; S307-E339 PolarHBondContact OG-OE1 3.43Å; V308-E339 PolarHBondContact N-OE2 2.97Å; K309-E339 HydrophobicContact CD-CG 3.89Å; K309-E339 HydrophobicContact CG-CG 4.15Å; K309-E339 PolarHBondContact N-OE2 2.72Å; V336-E339 HydrophobicContact CG1-CB 4.31Å; E339-L343 WeakPolarHBondContact CA-O 3.41Å; E339-L344 HydrophobicContact CB-CD2 3.88Å; E339-R401 VanDerWaalsContact CD-NH1 3.32Å; E339-R401 IonicContact OE1-NH1 2.75Å; E339-R401 IonicContact OE2-NH1 3.57Å
340	S	85.3	Confident	90.4	Very high	15 Å²	15	21.8 Å²	21.8	11%	0.105	12%	0.116	C	C	.	.			trans	-103.6	-173.8	164.7	74	0	0	0	0	109.4	Q72 D342 L343 R401	Q72-S340 PolarHBondContact OE1-OG 2.96Å; S340-D342 VanDerWaalsContact C-N 3.27Å; S340-D342 PolarHBondContact O-N 3.47Å; S340-D342 PolarHBondContact OG-N 3.19Å; S340-L343 PolarHBondContact N-O 2.94Å; S340-L343 WeakPolarHBondContact OG-CB 3.45Å; S340-L343 PolarHBondContact OG-N 2.66Å; S340-L343 VanDerWaalsContact OG-N 3.09Å; S340-R401 WeakPolarHBondContact O-CD 3.32Å; S340-R401 PolarHBondContact O-NH1 2.71Å
341	N	84.8	Confident	90.2	Very high	83 Å²	83	24.8 Å²	24.8	44%	0.444	13%	0.129	S	C	.	.	S	Bend	trans	-51.6	-45.9	173	-84	-0.1	0	0	0	112.6	W114 R401	W114-N341 HydrophobicContact CE3-CB 3.86Å; W114-N341 VanDerWaalsContact CE3-OD1 3.27Å; W114-N341 HydrophobicContact CH2-CB 4.36Å; W114-N341 WeakPolarHBondContact CH2-O 3.41Å; W114-N341 VanDerWaalsContact CZ3-CA 3.43Å; W114-N341 HydrophobicContact CZ3-CB 3.37Å; W114-N341 VanDerWaalsContact CZ3-O 3.26Å; W114-N341 WeakPolarHBondContact CZ3-O 3.22Å; N341-R401 WeakPolarHBondContact O-CD 2.9Å
342	D	89.6	Confident	89.9	Confident	25 Å²	25	26.6 Å²	26.6	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	-117.9	-8.6	-168.3	-78.6	-85.1	0	0	0	114	D283 S340 R401 T403 K406	D283-D342 HydrophobicContact CB-CB 3.59Å; S340-D342 VanDerWaalsContact C-N 3.27Å; S340-D342 PolarHBondContact O-N 3.47Å; S340-D342 PolarHBondContact OG-N 3.19Å; D342-R401 WeakPolarHBondContact O-CB 3.36Å; D342-R401 PolarHBondContact O-N 2.65Å; D342-T403 WeakPolarHBondContact OD1-CG2 3.23Å; D342-K406 PolarHBondContact O-NZ 3.17Å; D342-K406 WeakPolarHBondContact OD1-CE 3.48Å; D342-K406 IonicContact OD1-NZ 2.64Å; D342-K406 PolarHBondContact OD1-NZ 3.33Å
343	L	91.8	Very high	89.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.1	-176.1	-56.9	176.1	0	0	0	112.8	A282 D283 E339 S340 Y345 V398 A399 V400 R401	A282-L343 HydrophobicContact CB-CD1 4.23Å; D283-L343 WeakPolarHBondContact OD1-CD1 3.31Å; D283-L343 WeakPolarHBondContact OD1-CG 3.4Å; E339-L343 WeakPolarHBondContact CA-O 3.41Å; S340-L343 PolarHBondContact N-O 2.94Å; S340-L343 WeakPolarHBondContact OG-CB 3.45Å; S340-L343 PolarHBondContact OG-N 2.66Å; S340-L343 VanDerWaalsContact OG-N 3.09Å; L343-Y345 HydrophobicContact CB-CE2 3.83Å; L343-Y345 WeakPolarHBondContact CD1-OH 3.34Å; L343-V398 HydrophobicContact CB-CG1 4.06Å; L343-V398 HydrophobicContact CD1-CG1 4.15Å; L343-V398 HydrophobicContact CD2-CG1 3.83Å; L343-V398 HydrophobicContact CG-CG1 4.23Å; L343-A399 CarbonylContact C-O 3.59Å; L343-A399 WeakPolarHBondContact CA-O 3.2Å; L343-V400 HydrophobicContact CD2-CG2 4.15Å; L343-R401 WeakPolarHBondContact O-CD 3.36Å
344	L	92.1	Very high	89.8	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129	166.3	-56.6	175.9	0	0	0	108.6	V308 V336 E339 I376 V398 A399 R401	V308-L344 HydrophobicContact CG2-CD1 4.32Å; V308-L344 HydrophobicContact CG2-CD2 4.05Å; V336-L344 HydrophobicContact CG1-CB 4.49Å; V336-L344 HydrophobicContact CG1-CD2 4.31Å; V336-L344 HydrophobicContact CG2-CD1 4.46Å; E339-L344 HydrophobicContact CB-CD2 3.88Å; L344-I376 HydrophobicContact CD1-CD1 4.22Å; L344-V398 CarbonylContact O-C 3.43Å; L344-V398 WeakPolarHBondContact O-CA 3.15Å; L344-A399 HydrophobicContact CB-CB 4.37Å; L344-A399 PolarHBondContact N-O 3.26Å; L344-A399 PolarHBondContact O-N 3.42Å; L344-R401 HydrophobicContact CD1-CG 4.34Å; L344-R401 HydrophobicContact CD2-CG 3.59Å; L344-R401 HydrophobicContact CG-CG 3.5Å
345	Y	90.3	Very high	90	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.2	177	-57.3	-91.8	0	0	0	108.6	I69 Q72 S337 E338 L343 V385 Y396 V398	I69-Y345 HydrophobicContact CD1-CD1 4.18Å; I69-Y345 HydrophobicContact CD1-CD2 3.68Å; I69-Y345 HydrophobicContact CD1-CE1 4.33Å; I69-Y345 HydrophobicContact CD1-CE2 3.85Å; I69-Y345 HydrophobicContact CD1-CG 3.85Å; I69-Y345 HydrophobicContact CG1-CD1 4.28Å; I69-Y345 HydrophobicContact CG1-CD2 3.7Å; I69-Y345 HydrophobicContact CG1-CE1 3.93Å; I69-Y345 HydrophobicContact CG1-CE2 3.29Å; I69-Y345 HydrophobicContact CG1-CG 4.17Å; Q72-Y345 PolarHBondContact OE1-OH 2.75Å; S337-Y345 PolarHBondContact N-O 2.93Å; E338-Y345 HydrophobicContact CB-CD2 4.26Å; E338-Y345 HydrophobicContact CB-CG 4.48Å; E338-Y345 PolarHBondContact N-O 2.81Å; E338-Y345 VanDerWaalsContact N-O 3.12Å; E338-Y345 WeakPolarHBondContact O-CA 3.38Å; E338-Y345 WeakPolarHBondContact O-CB 3.32Å; E338-Y345 PolarHBondContact O-N 2.76Å; E338-Y345 VanDerWaalsContact O-O 3.11Å; L343-Y345 HydrophobicContact CB-CE2 3.83Å; L343-Y345 WeakPolarHBondContact CD1-OH 3.34Å; Y345-V385 HydrophobicContact CD1-CG1 4.27Å; Y345-V385 HydrophobicContact CD1-CG2 4.02Å; Y345-V385 HydrophobicContact CE1-CB 4.35Å; Y345-V385 HydrophobicContact CE1-CG1 3.75Å; Y345-V385 HydrophobicContact CE1-CG2 3.67Å; Y345-Y396 HydrophobicContact CD1-CD2 4.19Å; Y345-Y396 HydrophobicContact CD1-CG 4.03Å; Y345-Y396 HydrophobicContact CG-CG 4.44Å; Y345-V398 HydrophobicContact CD1-CG2 3.83Å; Y345-V398 HydrophobicContact CE1-CG2 4Å
346	Q	91.2	Very high	90.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162	-164.3	56.3	76.2	27.2	0	0	111.3	I316 C334 C348 F379 N397	I316-Q346 HydrophobicContact CD1-CB 4.02Å; I316-Q346 HydrophobicContact CD1-CG 3.78Å; C334-Q346 PolarHBondContact SG-OE1 3.33Å; Q346-C348 VanDerWaalsContact OE1-CA 3.29Å; Q346-C348 PolarHBondContact OE1-SG 2.74Å; Q346-F379 VanDerWaalsContact NE2-CE2 3.34Å; Q346-N397 WeakPolarHBondContact CG-O 3.47Å; Q346-N397 PolarHBondContact N-O 3.05Å; Q346-N397 PolarHBondContact NE2-O 2.78Å; Q346-N397 WeakPolarHBondContact O-CB 3.43Å; Q346-N397 PolarHBondContact O-N 3.43Å; Q346-N397 VanDerWaalsContact O-N 3.1Å; Q346-N397 VanDerWaalsContact O-O 3.07Å
347	Y	88.8	Confident	90.6	Very high	41 Å²	41	20.2 Å²	20.2	16%	0.161	11%	0.112	C	C	.	.			trans	-119	41	-171.2	-65.9	-29.8	0	0	0	112.2	R123 Y129 S337 D395 Y396	R123-Y347 PolarHBondContact O-OH 3.11Å; Y129-Y347 AromaticContact CD1-CD1 3.76Å; Y129-Y347 HydrophobicContact CD1-CD1 3.76Å; Y129-Y347 HydrophobicContact CD1-CD2 4.31Å; Y129-Y347 HydrophobicContact CD1-CE1 4.39Å; Y129-Y347 AromaticContact CD1-CG 3.62Å; Y129-Y347 HydrophobicContact CD1-CG 3.62Å; Y129-Y347 VanDerWaalsContact CD2-CA 3.49Å; Y129-Y347 WeakPolarHBondContact CD2-O 3.44Å; Y129-Y347 AromaticContact CE1-CD1 2.9Å; Y129-Y347 HydrophobicContact CE1-CD1 2.9Å; Y129-Y347 HydrophobicContact CE1-CD2 4.19Å; Y129-Y347 AromaticContact CE1-CE1 3.43Å; Y129-Y347 HydrophobicContact CE1-CE1 3.43Å; Y129-Y347 VanDerWaalsContact CE1-CE1 3.43Å; Y129-Y347 AromaticContact CE1-CG 3.28Å; Y129-Y347 HydrophobicContact CE1-CG 3.28Å; Y129-Y347 HydrophobicContact CE2-CD1 4Å; Y129-Y347 HydrophobicContact CE2-CG 4.23Å; Y129-Y347 WeakPolarHBondContact CE2-O 3.29Å; Y129-Y347 HydrophobicContact CG-CG 4.26Å; Y129-Y347 VanDerWaalsContact CZ-CA 3.44Å; Y129-Y347 AromaticContact CZ-CD1 3.08Å; Y129-Y347 AromaticContact CZ-CE1 3.87Å; Y129-Y347 AromaticContact CZ-CG 3.65Å; Y129-Y347 WeakPolarHBondContact OH-CD1 3.35Å; S337-Y347 WeakPolarHBondContact OG-CD2 3.48Å; S337-Y347 WeakPolarHBondContact OG-CE2 3.27Å; Y347-D395 WeakPolarHBondContact CE1-O 3.45Å; Y347-Y396 AromaticContact CD1-CD1 3.87Å; Y347-Y396 HydrophobicContact CD1-CD1 3.87Å; Y347-Y396 HydrophobicContact CD1-CE1 4.29Å; Y347-Y396 AromaticContact CE1-CD1 3.24Å; Y347-Y396 HydrophobicContact CE1-CD1 3.24Å; Y347-Y396 AromaticContact CE1-CE1 3.45Å; Y347-Y396 HydrophobicContact CE1-CE1 3.45Å; Y347-Y396 VanDerWaalsContact CE1-CE1 3.45Å; Y347-Y396 HydrophobicContact CE1-CG 4.06Å; Y347-Y396 HydrophobicContact CE2-CE1 4.12Å; Y347-Y396 AromaticContact CZ-CD1 3.7Å; Y347-Y396 AromaticContact CZ-CE1 3.34Å; Y347-Y396 WeakPolarHBondContact OH-CE1 3.34Å
348	C	90.2	Very high	91.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.			trans	-83.4	127.9	170.5	-70.2	0	0	0	0	108.3	F318 R332 C334 Q346 A350 N397	F318-C348 HydrophobicContact CE1-CB 3.48Å; F318-C348 VanDerWaalsContact CE1-CB 3.48Å; F318-C348 VanDerWaalsContact CE1-SG 3.6Å; F318-C348 HydrophobicContact CZ-CB 3.87Å; R332-C348 HydrophobicContact CG-CB 4.22Å; C334-C348 HydrophobicContact CB-CB 3.89Å; C334-C348 WeakPolarHBondContact CB-SG 3.13Å; C334-C348 PolarHBondContact N-SG 2.56Å; C334-C348 WeakPolarHBondContact SG-CA 3.37Å; C334-C348 WeakPolarHBondContact SG-CB 3.33Å; C334-C348 PolarHBondContact SG-N 3.14Å; C334-C348 CovalentContact SG-SG 2.02Å; C334-C348 PolarHBondContact SG-SG 3.19Å; Q346-C348 VanDerWaalsContact OE1-CA 3.29Å; Q346-C348 PolarHBondContact OE1-SG 2.74Å; C348-A350 PolarHBondContact O-N 2.95Å; C348-N397 PolarHBondContact O-ND2 3.32Å
349	D	88.8	Confident	91.7	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.099	C	C	.	.			trans	-58.7	124.5	177.3	-60.7	-28.7	0	0	0	111.9	V128 Y129 T133 R134 R332	V128-D349 VanDerWaalsContact CA-OD1 3.23Å; V128-D349 WeakPolarHBondContact CA-OD1 3.44Å; Y129-D349 WeakPolarHBondContact CD2-OD1 3.47Å; Y129-D349 PolarHBondContact N-OD1 2.89Å; T133-D349 WeakPolarHBondContact CB-OD2 3.39Å; T133-D349 PolarHBondContact N-OD2 3.23Å; T133-D349 PolarHBondContact OG1-OD2 3.28Å; R134-D349 WeakPolarHBondContact CD-O 3.27Å; R134-D349 HydrophobicContact CG-CB 3.54Å; R134-D349 WeakPolarHBondContact CG-O 3.41Å; R332-D349 WeakPolarHBondContact CD-O 3.21Å; R332-D349 PolarHBondContact NH1-O 3.32Å
350	A	89.8	Confident	92.3	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	9%	0.093	C	C	.	.			trans	-141.6	152.5	-179.2	0	0	0	0	0	110.1	C348 F379	C348-A350 PolarHBondContact O-N 2.95Å; A350-F379 HydrophobicContact CB-CE1 3.9Å; A350-F379 HydrophobicContact CB-CE2 3.96Å; A350-F379 HydrophobicContact CB-CZ 3.27Å
351	K	90.7	Very high	92.8	Very high	63 Å²	63	16.2 Å²	16.2	27%	0.274	9%	0.089	S	C	.	.			trans	-128.5	163.2	170.1	-76.7	-68	167.5	-160.7	0	109.5	E127 D322 S354	E127-K351 IonicContact OE1-NZ 3.08Å; E127-K351 PolarHBondContact OE1-NZ 3.28Å; D322-K351 HydrophobicContact CB-CB 4.17Å; K351-S354 WeakPolarHBondContact O-CB 3.31Å; K351-S354 PolarHBondContact O-N 2.95Å; K351-S354 PolarHBondContact O-OG 2.78Å
352	P	90.8	Very high	93.2	Very high	80 Å²	80	17.8 Å²	17.8	52%	0.519	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	145.5	172.7	-30.8	36.9	0	0	0	112.2	D323 S354	D323-P352 WeakPolarHBondContact CB-O 3.43Å; D323-P352 VanDerWaalsContact CG-O 3.23Å; D323-P352 PolarHBondContact N-O 3.33Å; P352-S354 VanDerWaalsContact C-N 3.31Å; P352-S354 PolarHBondContact O-N 3.18Å
353	G	92.2	Very high	93.4	Very high	7 Å²	7	17 Å²	17	7%	0.072	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-16.6	-174.4	0	0	0	0	0	115.3	G157 C158 S159 F321 D323 S355	G157-G353 WeakPolarHBondContact O-CA 3.23Å; C158-G353 CarbonylContact C-O 3.42Å; S159-G353 WeakPolarHBondContact CB-O 3.43Å; S159-G353 PolarHBondContact N-O 2.9Å; S159-G353 VanDerWaalsContact N-O 3.09Å; S159-G353 PolarHBondContact OG-O 2.76Å; F321-G353 CarbonylContact O-C 3.59Å; F321-G353 VanDerWaalsContact O-C 3.27Å; F321-G353 VanDerWaalsContact O-O 3.13Å; D323-G353 PolarHBondContact OD2-N 3.02Å; G353-S355 VanDerWaalsContact C-N 3.32Å
354	S	95.1	Very high	93.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	9%	0.094	C	C	.	.			trans	-76	-17.3	171.2	64.4	0	0	0	0	113.8	D322 K351 P352 S357 F379	D322-S354 WeakPolarHBondContact OD1-CB 3.3Å; K351-S354 WeakPolarHBondContact O-CB 3.31Å; K351-S354 PolarHBondContact O-N 2.95Å; K351-S354 PolarHBondContact O-OG 2.78Å; P352-S354 VanDerWaalsContact C-N 3.31Å; P352-S354 PolarHBondContact O-N 3.18Å; S354-S357 VanDerWaalsContact O-CB 3.24Å; S354-S357 WeakPolarHBondContact O-CB 3.47Å; S354-S357 PolarHBondContact O-N 2.95Å; S354-S357 VanDerWaalsContact O-N 3.1Å; S354-S357 PolarHBondContact O-OG 2.79Å; S354-F379 VanDerWaalsContact OG-CE1 3.27Å; S354-F379 WeakPolarHBondContact OG-CE1 3.18Å
355	S	96	Very high	93.4	Very high	17 Å²	17	20.6 Å²	20.6	12%	0.119	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	136.7	173.9	-57.9	0	0	0	0	112.5	C158 S159 H173 G353 S357 S380	C158-S355 WeakPolarHBondContact CB-O 3.49Å; S159-S355 CarbonylContact C-O 3.47Å; S159-S355 WeakPolarHBondContact CA-O 3.34Å; S159-S355 PolarHBondContact N-O 3.16Å; S159-S355 VanDerWaalsContact O-O 3.12Å; H173-S355 VanDerWaalsContact NE2-CB 3.27Å; H173-S355 WeakPolarHBondContact NE2-CB 3.46Å; H173-S355 PolarHBondContact NE2-OG 3.14Å; G353-S355 VanDerWaalsContact C-N 3.32Å; S355-S357 VanDerWaalsContact C-N 3.33Å; S355-S380 WeakPolarHBondContact CB-O 3.46Å; S355-S380 PolarHBondContact OG-O 3.47Å
356	G	97.6	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-2.8	-174.6	0	0	0	0	0	115.5	S159 G160 T170 A171 G358 F379	S159-G356 CarbonylContact O-C 3.45Å; S159-G356 WeakPolarHBondContact O-CA 3.27Å; G160-G356 VanDerWaalsContact CA-O 3.29Å; G160-G356 WeakPolarHBondContact CA-O 3.41Å; T170-G356 WeakPolarHBondContact OG1-CA 2.99Å; A171-G356 VanDerWaalsContact N-CA 3.34Å; G356-G358 PolarHBondContact O-N 2.94Å; G356-F379 WeakPolarHBondContact CA-O 3.35Å; G356-F379 PolarHBondContact N-O 3.28Å
357	S	98.4	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-59.4	137	176	-64.9	0	0	0	0	111.9	S159 G320 S354 S355 V359 F379	S159-S357 WeakPolarHBondContact CB-OG 3.35Å; G320-S357 VanDerWaalsContact CA-OG 3.28Å; G320-S357 WeakPolarHBondContact CA-OG 3.46Å; S354-S357 VanDerWaalsContact O-CB 3.24Å; S354-S357 WeakPolarHBondContact O-CB 3.47Å; S354-S357 PolarHBondContact O-N 2.95Å; S354-S357 VanDerWaalsContact O-N 3.1Å; S354-S357 PolarHBondContact O-OG 2.79Å; S355-S357 VanDerWaalsContact C-N 3.33Å; S357-V359 PolarHBondContact O-N 2.9Å; S357-F379 WeakPolarHBondContact O-CB 3.22Å; S357-F379 PolarHBondContact O-N 2.8Å
358	G	98.3	Very high	93	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.6	176.4	0	0	0	0	0	112.4	F318 G356	F318-G358 VanDerWaalsContact CB-O 3.26Å; F318-G358 WeakPolarHBondContact CB-O 3.16Å; G356-G358 PolarHBondContact O-N 2.94Å
359	V	98.4	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.6	173.5	-177.5	0	0	0	0	109	I316 H317 F318 S357 I375 I376 G377 F379 A399	I316-V359 HydrophobicContact CB-CG1 3.82Å; I316-V359 HydrophobicContact CD1-CG1 3.98Å; I316-V359 HydrophobicContact CG1-CG1 4.49Å; I316-V359 HydrophobicContact CG2-CG1 4.09Å; H317-V359 WeakPolarHBondContact O-CA 3.11Å; F318-V359 HydrophobicContact CB-CG2 4.33Å; F318-V359 HydrophobicContact CD1-CG2 4.33Å; S357-V359 PolarHBondContact O-N 2.9Å; V359-I375 CarbonylContact O-C 3.38Å; V359-I375 WeakPolarHBondContact O-CA 3.44Å; V359-I376 HydrophobicContact CG1-CG1 4.44Å; V359-I376 PolarHBondContact O-N 3.17Å; V359-G377 PolarHBondContact N-O 2.96Å; V359-G377 PolarHBondContact O-N 3.26Å; V359-F379 HydrophobicContact CG2-CB 4.09Å; V359-A399 HydrophobicContact CG2-CB 3.88Å
360	Y	97.7	Very high	93	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159	-177.9	61.7	-90.9	0	0	0	113.2	M300 H317 R373 K374 I375	M300-Y360 HydrophobicContact CE-CD1 3.92Å; M300-Y360 HydrophobicContact CE-CD2 4.35Å; M300-Y360 HydrophobicContact CE-CE1 4.27Å; M300-Y360 HydrophobicContact CE-CG 3.98Å; M300-Y360 VanDerWaalsContact SD-CB 3.52Å; M300-Y360 HydrophobicContact SD-CD1 4.11Å; M300-Y360 HydrophobicContact SD-CD2 4.36Å; M300-Y360 HydrophobicContact SD-CG 3.76Å; H317-Y360 HydrophobicContact CB-CD1 4.47Å; H317-Y360 HydrophobicContact CB-CD2 3.83Å; H317-Y360 HydrophobicContact CB-CE1 4.12Å; H317-Y360 HydrophobicContact CB-CE2 3.39Å; H317-Y360 HydrophobicContact CB-CG 4.34Å; H317-Y360 PolarHBondContact N-O 3.3Å; H317-Y360 WeakPolarHBondContact O-CD1 2.99Å; H317-Y360 PolarHBondContact O-N 3.28Å; Y360-R373 HydrophobicContact CD2-CB 4.25Å; Y360-R373 HydrophobicContact CD2-CG 4.18Å; Y360-R373 HydrophobicContact CE2-CG 4.44Å; Y360-K374 VanDerWaalsContact CA-O 3.29Å; Y360-K374 WeakPolarHBondContact CA-O 3.2Å; Y360-K374 WeakPolarHBondContact CB-O 3.32Å; Y360-I375 HydrophobicContact CD1-CD1 4.44Å
361	I	96.1	Very high	93.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	173.2	169.7	61.3	170.5	0	0	0	109.4	W34 I305 L311 R315 I316 L363 R373 K374 I376	W34-I361 HydrophobicContact CH2-CD1 3.56Å; W34-I361 HydrophobicContact CH2-CG1 3.3Å; W34-I361 HydrophobicContact CZ2-CD1 4.23Å; W34-I361 HydrophobicContact CZ2-CG1 3.76Å; W34-I361 HydrophobicContact CZ3-CD1 3.95Å; W34-I361 HydrophobicContact CZ3-CG1 4.19Å; I305-I361 HydrophobicContact CD1-CD1 3.59Å; L311-I361 HydrophobicContact CD1-CD1 3.55Å; R315-I361 WeakPolarHBondContact O-CG2 3.31Å; I316-I361 HydrophobicContact CG2-CG2 4.01Å; I361-L363 HydrophobicContact CD1-CD1 3.73Å; I361-L363 HydrophobicContact CD1-CG 4Å; I361-R373 VanDerWaalsContact O-CA 3.27Å; I361-R373 WeakPolarHBondContact O-CA 3.48Å; I361-K374 PolarHBondContact N-O 2.7Å; I361-K374 PolarHBondContact O-N 3.48Å; I361-I376 HydrophobicContact CD1-CG2 4.1Å; I361-I376 HydrophobicContact CG1-CD1 4.47Å; I361-I376 HydrophobicContact CG1-CG2 3.88Å; I361-I376 HydrophobicContact CG2-CD1 3.77Å; I361-I376 HydrophobicContact CG2-CG1 4.33Å
362	R	94.4	Very high	93.4	Very high	117 Å²	117	51.9 Å²	51.9	44%	0.442	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.6	179.5	-175.4	-174.7	170.3	171.6	-2.1	109.7	W371 K372 R373	R362-W371 HydrophobicContact CG-CB 4.16Å; R362-W371 HydrophobicContact CG-CE3 3.98Å; R362-W371 VanDerWaalsContact NE-CB 3.31Å; R362-W371 WeakPolarHBondContact O-CZ3 3.23Å; R362-K372 WeakPolarHBondContact CA-O 3.41Å; R362-R373 HydrophobicContact CB-CG 3.94Å; R362-R373 HydrophobicContact CG-CG 4Å
363	L	93.6	Very high	93.7	Very high	7 Å²	7	51 Å²	51	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	165	175.9	-55.4	175.5	0	0	0	110.3	Y32 W34 I305 L311 I361 W371 K372	Y32-L363 CarbonylContact O-C 3.56Å; Y32-L363 WeakPolarHBondContact O-CB 3.33Å; W34-L363 HydrophobicContact CD2-CB 3.95Å; W34-L363 HydrophobicContact CD2-CD1 3.95Å; W34-L363 HydrophobicContact CD2-CG 4.34Å; W34-L363 HydrophobicContact CE3-CD1 3.97Å; W34-L363 HydrophobicContact CG-CB 3.88Å; W34-L363 HydrophobicContact CG-CD1 4.42Å; W34-L363 HydrophobicContact CH2-CD1 4.46Å; W34-L363 HydrophobicContact CZ2-CB 4.35Å; W34-L363 HydrophobicContact CZ2-CD1 4.45Å; W34-L363 HydrophobicContact CZ2-CG 4.34Å; W34-L363 HydrophobicContact CZ3-CD1 4.23Å; W34-L363 PolarHBondContact NE1-O 2.02Å; I305-L363 HydrophobicContact CD1-CD1 4.31Å; L311-L363 HydrophobicContact CD1-CD2 4.3Å; L311-L363 HydrophobicContact CD2-CD1 4.3Å; L311-L363 HydrophobicContact CD2-CD2 4.01Å; I361-L363 HydrophobicContact CD1-CD1 3.73Å; I361-L363 HydrophobicContact CD1-CG 4Å; L363-W371 VanDerWaalsContact C-CE3 3.49Å; L363-W371 WeakPolarHBondContact O-CA 3.41Å; L363-K372 PolarHBondContact N-O 3.38Å; L363-K372 VanDerWaalsContact N-O 3.16Å; L363-K372 PolarHBondContact O-N 3.09Å; L363-K372 VanDerWaalsContact O-O 3.12Å
364	K	92.6	Very high	93.9	Very high	50 Å²	50	51.9 Å²	51.9	22%	0.217	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.5	173.1	-62.7	177.1	-172.8	171.6	0	110.2	D29 Y32 T33 W34 K370 W371	D29-K364 IonicContact OD1-NZ 2.75Å; D29-K364 PolarHBondContact OD1-NZ 2.98Å; Y32-K364 WeakPolarHBondContact O-CB 3.4Å; Y32-K364 PolarHBondContact O-N 3.33Å; T33-K364 WeakPolarHBondContact CA-O 3.41Å; W34-K364 PolarHBondContact N-O 3.45Å; K364-K370 CarbonylContact C-O 3.59Å; K364-K370 WeakPolarHBondContact CA-O 3.1Å; K364-W371 HydrophobicContact CD-CZ2 4.33Å; K364-W371 HydrophobicContact CG-CD2 3.89Å; K364-W371 HydrophobicContact CG-CE3 4.06Å; K364-W371 HydrophobicContact CG-CH2 4.05Å; K364-W371 HydrophobicContact CG-CZ2 3.84Å; K364-W371 HydrophobicContact CG-CZ3 4.15Å
365	E	91.1	Very high	94.1	Very high	28 Å²	28	51.9 Å²	51.9	13%	0.131	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-70.3	142.9	170.2	-71.7	-173.9	127.7	0	0	110.5	G367 K368 K370 K372	E365-G367 PolarHBondContact O-N 3.19Å; E365-K368 HydrophobicContact CB-CB 3.98Å; E365-K368 HydrophobicContact CB-CD 4.09Å; E365-K368 HydrophobicContact CB-CG 4.48Å; E365-K368 PolarHBondContact O-N 2.65Å; E365-K370 PolarHBondContact N-O 2.89Å; E365-K372 HydrophobicContact CG-CB 3.86Å; E365-K372 HydrophobicContact CG-CD 3.89Å; E365-K372 WeakPolarHBondContact OE1-CD 3.37Å; E365-K372 IonicContact OE1-NZ 3.37Å; E365-K372 PolarHBondContact OE1-NZ 2.82Å
366	P	88.9	Confident	94.2	Very high	49 Å²	49	51.2 Å²	51.2	32%	0.318	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	132.6	177.8	-25.9	35.5	0	0	0	111.8	T33 W34 Q36 K368	T33-P366 HydrophobicContact CG2-CB 4.29Å; T33-P366 HydrophobicContact CG2-CG 4.16Å; W34-P366 VanDerWaalsContact O-CG 3.27Å; W34-P366 WeakPolarHBondContact O-CG 2.97Å; Q36-P366 HydrophobicContact CG-CB 4.43Å; Q36-P366 HydrophobicContact CG-CG 3.8Å; P366-K368 PolarHBondContact O-N 2.75Å; P366-K368 VanDerWaalsContact O-N 3.12Å
367	G	85.8	Confident	94.2	Very high	94 Å²	94	51.2 Å²	51.2	97%	0.969	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	10.7	-179.6	0	0	0	0	0	114.9	E365	E365-G367 PolarHBondContact O-N 3.19Å
368	K	87.6	Confident	94.2	Very high	127 Å²	127	51.3 Å²	51.3	55%	0.552	25%	0.249	S	C	*	.	S	Bend	trans	-132.2	142	-178.2	-63.9	177.2	-175	172.8	0	111	E365 P366 K370	E365-K368 HydrophobicContact CB-CB 3.98Å; E365-K368 HydrophobicContact CB-CD 4.09Å; E365-K368 HydrophobicContact CB-CG 4.48Å; E365-K368 PolarHBondContact O-N 2.65Å; P366-K368 PolarHBondContact O-N 2.75Å; P366-K368 VanDerWaalsContact O-N 3.12Å; K368-K370 HydrophobicContact CB-CB 4.39Å; K368-K370 PolarHBondContact O-N 2.96Å
369	K	86	Confident	94.1	Very high	206 Å²	206	51.2 Å²	51.2	90%	0.896	25%	0.248	S	C	*	.	S	Bend	trans	-75.3	11.2	171.7	-61.4	-174.2	179.4	-177.5	0	113.7
370	K	92.8	Very high	93.9	Very high	135 Å²	135	51.3 Å²	51.3	59%	0.587	25%	0.249	S	C	*	.			trans	-94.1	124.9	-173.9	-175.7	176.7	173.6	-170.3	0	110.6	K364 E365 K368	K364-K370 CarbonylContact C-O 3.59Å; K364-K370 WeakPolarHBondContact CA-O 3.1Å; E365-K370 PolarHBondContact N-O 2.89Å; K368-K370 HydrophobicContact CB-CB 4.39Å; K368-K370 PolarHBondContact O-N 2.96Å
371	W	93.6	Very high	93.5	Very high	100 Å²	100	51.4 Å²	51.4	38%	0.379	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.9	173.2	-66.2	84.7	0	0	0	111.5	Y32 R362 L363 K364	Y32-W371 AromaticContact CD1-CH2 3.96Å; Y32-W371 HydrophobicContact CD1-CH2 3.96Å; Y32-W371 HydrophobicContact CD1-CZ3 4.36Å; Y32-W371 HydrophobicContact CG-CH2 4.34Å; R362-W371 HydrophobicContact CG-CB 4.16Å; R362-W371 HydrophobicContact CG-CE3 3.98Å; R362-W371 VanDerWaalsContact NE-CB 3.31Å; R362-W371 WeakPolarHBondContact O-CZ3 3.23Å; L363-W371 VanDerWaalsContact C-CE3 3.49Å; L363-W371 WeakPolarHBondContact O-CA 3.41Å; K364-W371 HydrophobicContact CD-CZ2 4.33Å; K364-W371 HydrophobicContact CG-CD2 3.89Å; K364-W371 HydrophobicContact CG-CE3 4.06Å; K364-W371 HydrophobicContact CG-CH2 4.05Å; K364-W371 HydrophobicContact CG-CZ2 3.84Å; K364-W371 HydrophobicContact CG-CZ3 4.15Å
372	K	94.9	Very high	92.9	Very high	53 Å²	53	53 Å²	53	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.9	179.6	-167.9	163.5	-179.3	-175.8	0	110.7	W34 D301 R362 L363 E365 K374	W34-K372 PolarHBondContact NE1-O 3.42Å; D301-K372 WeakPolarHBondContact OD2-CE 2.94Å; D301-K372 IonicContact OD2-NZ 3.8Å; D301-K372 PolarHBondContact OD2-NZ 3.5Å; R362-K372 WeakPolarHBondContact CA-O 3.41Å; L363-K372 PolarHBondContact N-O 3.38Å; L363-K372 VanDerWaalsContact N-O 3.16Å; L363-K372 PolarHBondContact O-N 3.09Å; L363-K372 VanDerWaalsContact O-O 3.12Å; E365-K372 HydrophobicContact CG-CB 3.86Å; E365-K372 HydrophobicContact CG-CD 3.89Å; E365-K372 WeakPolarHBondContact OE1-CD 3.37Å; E365-K372 IonicContact OE1-NZ 3.37Å; E365-K372 PolarHBondContact OE1-NZ 2.82Å; K372-K374 HydrophobicContact CG-CG 4.42Å
373	R	96.3	Very high	92.2	Very high	63 Å²	63	47.7 Å²	47.7	24%	0.238	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132	171	-67.1	172.6	177.7	81.3	-4.9	107.9	M300 Y360 I361 R362	M300-R373 HydrophobicContact CE-CB 4.12Å; M300-R373 WeakPolarHBondContact CG-O 3.04Å; M300-R373 HydrophobicContact SD-CB 3.82Å; Y360-R373 HydrophobicContact CD2-CB 4.25Å; Y360-R373 HydrophobicContact CD2-CG 4.18Å; Y360-R373 HydrophobicContact CE2-CG 4.44Å; I361-R373 VanDerWaalsContact O-CA 3.27Å; I361-R373 WeakPolarHBondContact O-CA 3.48Å; R362-R373 HydrophobicContact CB-CG 3.94Å; R362-R373 HydrophobicContact CG-CG 4Å
374	K	97.3	Very high	91.3	Very high	25 Å²	25	53.1 Å²	53.1	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146	172.3	-56.9	179.1	166.2	-175.1	0	109.6	W34 D301 L302 Y360 I361 K372 A424	W34-K374 HydrophobicContact CD2-CD 3.75Å; W34-K374 HydrophobicContact CD2-CG 4.36Å; W34-K374 HydrophobicContact CE3-CD 3.91Å; W34-K374 HydrophobicContact CG-CD 4.37Å; W34-K374 HydrophobicContact CH2-CB 3.54Å; W34-K374 HydrophobicContact CH2-CD 4.05Å; W34-K374 HydrophobicContact CH2-CG 4.07Å; W34-K374 HydrophobicContact CZ2-CB 3.5Å; W34-K374 VanDerWaalsContact CZ2-CB 3.5Å; W34-K374 HydrophobicContact CZ2-CD 3.89Å; W34-K374 HydrophobicContact CZ2-CG 3.65Å; W34-K374 HydrophobicContact CZ3-CB 4.25Å; W34-K374 HydrophobicContact CZ3-CD 4.06Å; D301-K374 HydrophobicContact CB-CG 4.33Å; D301-K374 CarbonylContact O-C 3.53Å; D301-K374 WeakPolarHBondContact O-CA 3.37Å; D301-K374 WeakPolarHBondContact O-CB 3.22Å; L302-K374 WeakPolarHBondContact O-CD 3.4Å; Y360-K374 VanDerWaalsContact CA-O 3.29Å; Y360-K374 WeakPolarHBondContact CA-O 3.2Å; Y360-K374 WeakPolarHBondContact CB-O 3.32Å; I361-K374 PolarHBondContact N-O 2.7Å; I361-K374 PolarHBondContact O-N 3.48Å; K372-K374 HydrophobicContact CG-CG 4.42Å; K374-A424 PolarHBondContact NZ-OXT 3.31Å
375	I	98.3	Very high	90.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.8	172.9	-53.4	-67.6	0	0	0	107.9	V161 V163 L169 M300 D301 L302 G303 V359 Y360 G377 I402	V161-I375 HydrophobicContact CB-CD1 4.33Å; V161-I375 HydrophobicContact CG1-CD1 4.04Å; V161-I375 HydrophobicContact CG1-CG1 4.29Å; V161-I375 HydrophobicContact CG2-CD1 3.64Å; V161-I375 HydrophobicContact CG2-CG1 4.27Å; V163-I375 HydrophobicContact CG1-CG1 4.41Å; L169-I375 HydrophobicContact CD2-CG2 4.22Å; M300-I375 HydrophobicContact CB-CD1 4.12Å; M300-I375 HydrophobicContact CB-CG1 3.94Å; M300-I375 HydrophobicContact CE-CD1 4.33Å; M300-I375 HydrophobicContact CG-CD1 4.08Å; M300-I375 HydrophobicContact CG-CG1 3.91Å; M300-I375 HydrophobicContact SD-CD1 3.44Å; M300-I375 WeakPolarHBondContact SD-CD1 3.1Å; M300-I375 HydrophobicContact SD-CG1 3.87Å; D301-I375 PolarHBondContact O-N 2.54Å; L302-I375 CarbonylContact C-O 3.44Å; L302-I375 HydrophobicContact CD2-CB 3.87Å; L302-I375 HydrophobicContact CD2-CG1 4.46Å; L302-I375 HydrophobicContact CD2-CG2 4.25Å; G303-I375 PolarHBondContact N-O 2.88Å; V359-I375 CarbonylContact O-C 3.38Å; V359-I375 WeakPolarHBondContact O-CA 3.44Å; Y360-I375 HydrophobicContact CD1-CD1 4.44Å; I375-G377 WeakPolarHBondContact CG2-O 3.48Å; I375-I402 HydrophobicContact CB-CD1 4.4Å; I375-I402 HydrophobicContact CG2-CD1 3.81Å
376	I	97.7	Very high	89.5	Confident	3 Å²	3	51 Å²	51	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-4.4	177.7	60.9	150.8	0	0	0	112.3	W34 I305 V308 I316 L344 V359 I361 I402	W34-I376 HydrophobicContact CH2-CG2 3.76Å; W34-I376 HydrophobicContact CZ3-CG2 4.01Å; I305-I376 HydrophobicContact CG2-CB 4.3Å; I305-I376 HydrophobicContact CG2-CD1 4.1Å; I305-I376 HydrophobicContact CG2-CG2 4.15Å; V308-I376 HydrophobicContact CG2-CD1 3.57Å; I316-I376 HydrophobicContact CG2-CD1 4.26Å; L344-I376 HydrophobicContact CD1-CD1 4.22Å; V359-I376 HydrophobicContact CG1-CG1 4.44Å; V359-I376 PolarHBondContact O-N 3.17Å; I361-I376 HydrophobicContact CD1-CG2 4.1Å; I361-I376 HydrophobicContact CG1-CD1 4.47Å; I361-I376 HydrophobicContact CG1-CG2 3.88Å; I361-I376 HydrophobicContact CG2-CD1 3.77Å; I361-I376 HydrophobicContact CG2-CG1 4.33Å; I376-I402 PolarHBondContact O-N 3.39Å
377	G	97.9	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	172	-179.8	0	0	0	0	0	114.3	V359 I375 V400	V359-G377 PolarHBondContact N-O 2.96Å; V359-G377 PolarHBondContact O-N 3.26Å; I375-G377 WeakPolarHBondContact CG2-O 3.48Å; G377-V400 CarbonylContact C-O 3.57Å; G377-V400 WeakPolarHBondContact CA-O 3.45Å
378	V	98.4	Very high	87.3	Confident	2 Å²	2	49 Å²	49	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.3	177.1	-176.2	0	0	0	0	108	L169 A171 S380 A399 V400	L169-V378 HydrophobicContact CD1-CG2 4.01Å; L169-V378 HydrophobicContact CD2-CG2 3.42Å; L169-V378 VanDerWaalsContact CD2-CG2 3.42Å; L169-V378 HydrophobicContact CG-CG2 3.51Å; A171-V378 HydrophobicContact CB-CG1 4.32Å; V378-S380 PolarHBondContact O-N 3.48Å; V378-A399 CarbonylContact O-C 3.35Å; V378-A399 WeakPolarHBondContact O-CA 3.26Å; V378-A399 WeakPolarHBondContact O-CB 3.1Å; V378-V400 PolarHBondContact N-O 3.45Å; V378-V400 PolarHBondContact O-N 3.24Å
379	F	97.4	Very high	86.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	120.1	175.5	-177.8	-94.6	0	0	0	109.3	F318 Q346 A350 S354 G356 S357 V359 N397	F318-F379 HydrophobicContact CE1-CD2 4.03Å; F318-F379 HydrophobicContact CE1-CE2 4.38Å; F318-F379 HydrophobicContact CE2-CD2 4Å; F318-F379 HydrophobicContact CE2-CE2 4.31Å; F318-F379 HydrophobicContact CE2-CG 4.15Å; F318-F379 AromaticContact CZ-CD2 3.59Å; F318-F379 HydrophobicContact CZ-CD2 3.59Å; F318-F379 AromaticContact CZ-CE2 3.72Å; F318-F379 HydrophobicContact CZ-CE2 3.72Å; F318-F379 HydrophobicContact CZ-CG 4.21Å; F318-F379 HydrophobicContact CZ-CZ 4.48Å; Q346-F379 VanDerWaalsContact NE2-CE2 3.34Å; A350-F379 HydrophobicContact CB-CE1 3.9Å; A350-F379 HydrophobicContact CB-CE2 3.96Å; A350-F379 HydrophobicContact CB-CZ 3.27Å; S354-F379 VanDerWaalsContact OG-CE1 3.27Å; S354-F379 WeakPolarHBondContact OG-CE1 3.18Å; G356-F379 WeakPolarHBondContact CA-O 3.35Å; G356-F379 PolarHBondContact N-O 3.28Å; S357-F379 WeakPolarHBondContact O-CB 3.22Å; S357-F379 PolarHBondContact O-N 2.8Å; V359-F379 HydrophobicContact CG2-CB 4.09Å; F379-N397 HydrophobicContact CE2-CB 3.87Å; F379-N397 HydrophobicContact CZ-CB 4.2Å
380	S	93.3	Very high	85.2	Confident	3 Å²	3	39 Å²	39	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-58.6	-179.8	169.8	0	0	0	0	109.8	H173 D285 S355 V378 V398	H173-S380 PolarHBondContact CE1-O 2.94Å; D285-S380 VanDerWaalsContact OD2-CB 3.31Å; D285-S380 WeakPolarHBondContact OD2-CB 3.48Å; D285-S380 PolarHBondContact OD2-OG 2.67Å; S355-S380 WeakPolarHBondContact CB-O 3.46Å; S355-S380 PolarHBondContact OG-O 3.47Å; V378-S380 PolarHBondContact O-N 3.48Å; S380-V398 PolarHBondContact N-O 3.24Å
381	G	88.9	Confident	83.9	Confident	12 Å²	12	35.1 Å²	35.1	12%	0.124	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-162.6	-178.2	0	0	0	0	0	112.9	N397 V398	G381-N397 CarbonylContact O-C 3.5Å; G381-N397 WeakPolarHBondContact O-CA 3.42Å; G381-V398 PolarHBondContact N-O 2.95Å; G381-V398 PolarHBondContact O-N 2.78Å
382	H	83.4	Confident	82.6	Confident	36 Å²	36	36.5 Å²	36.5	17%	0.167	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.6	176.4	174.5	-102.2	0	0	0	110.9	W384 D395 Y396	H382-W384 AromaticContact CE1-CD1 3.95Å; H382-W384 AromaticContact CE1-CE2 3.7Å; H382-W384 AromaticContact CE1-NE1 3.47Å; H382-W384 PolarHBondContact CE1-NE1 3.04Å; H382-D395 WeakPolarHBondContact NE2-CB 3.42Å; H382-Y396 CarbonylContact C-O 3.59Å; H382-Y396 WeakPolarHBondContact CA-O 3.23Å
383	Q	80.1	Confident	81.6	Confident	7 Å²	7	40 Å²	40	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	141	-179.1	-161.3	-179.4	-46.8	0	0	110.7	T66 V385 Y396 V398	T66-Q383 WeakPolarHBondContact OG1-CG 3.13Å; T66-Q383 PolarHBondContact OG1-NE2 3.17Å; Q383-V385 HydrophobicContact CB-CG2 4.23Å; Q383-V385 HydrophobicContact CG-CG2 4.18Å; Q383-Y396 PolarHBondContact N-O 3.4Å; Q383-Y396 PolarHBondContact O-N 3.16Å; Q383-V398 HydrophobicContact CB-CG2 3.68Å
384	W	75.4	Confident	80.6	Confident	120 Å²	120	38.2 Å²	38.2	46%	0.455	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.8	168.2	-64.7	98.2	0	0	0	109.5	H382 Q393 D395	H382-W384 AromaticContact CE1-CD1 3.95Å; H382-W384 AromaticContact CE1-CE2 3.7Å; H382-W384 AromaticContact CE1-NE1 3.47Å; H382-W384 PolarHBondContact CE1-NE1 3.04Å; W384-Q393 HydrophobicContact CB-CB 4.38Å; W384-Q393 HydrophobicContact CE3-CB 4.28Å; W384-D395 HydrophobicContact CD2-CB 4.47Å; W384-D395 HydrophobicContact CE3-CB 3.99Å; W384-D395 HydrophobicContact CH2-CB 4.1Å; W384-D395 HydrophobicContact CZ3-CB 3.79Å
385	V	73.4	Confident	79.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.9	-167.2	178.2	0	0	0	0	108.4	G68 I69 Y345 Q383 V387 Q393 Q394 Y396	G68-V385 VanDerWaalsContact CA-CG1 3.45Å; I69-V385 HydrophobicContact CD1-CG1 4.31Å; I69-V385 HydrophobicContact CG1-CG1 3.99Å; Y345-V385 HydrophobicContact CD1-CG1 4.27Å; Y345-V385 HydrophobicContact CD1-CG2 4.02Å; Y345-V385 HydrophobicContact CE1-CB 4.35Å; Y345-V385 HydrophobicContact CE1-CG1 3.75Å; Y345-V385 HydrophobicContact CE1-CG2 3.67Å; Q383-V385 HydrophobicContact CB-CG2 4.23Å; Q383-V385 HydrophobicContact CG-CG2 4.18Å; V385-V387 HydrophobicContact CG1-CG2 4.29Å; V385-V387 PolarHBondContact O-N 3.27Å; V385-Q393 WeakPolarHBondContact O-CA 3.48Å; V385-Q394 PolarHBondContact N-O 3.14Å; V385-Q394 PolarHBondContact O-N 3.39Å; V385-Y396 HydrophobicContact CB-CD2 3.96Å; V385-Y396 HydrophobicContact CB-CE2 4.46Å; V385-Y396 HydrophobicContact CG1-CD2 4.47Å; V385-Y396 HydrophobicContact CG2-CD2 4.09Å
386	D	71.4	Confident	79.1	Confident	35 Å²	35	38.5 Å²	38.5	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.7	164.8	-174.2	-8.2	0	0	0	109.2	G68 I69 E70 N388 G389 G391	G68-D386 CarbonylContact C-O 3.58Å; I69-D386 PolarHBondContact N-O 2.81Å; E70-D386 PolarHBondContact N-O 3.42Å; D386-N388 PolarHBondContact OD1-N 3.21Å; D386-N388 VanDerWaalsContact OD1-N 3.11Å; D386-G389 PolarHBondContact OD1-N 2.94Å; D386-G389 WeakPolarHBondContact OD2-CA 3.22Å; D386-G391 WeakPolarHBondContact OD2-CA 3.44Å; D386-G391 PolarHBondContact OD2-N 3.44Å
387	V	64.5	Low	78.8	Confident	15 Å²	15	38.5 Å²	38.5	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-87.7	-28.9	-174.8	-177.2	0	0	0	0	112	I69 V385 Q394 Y396	I69-V387 HydrophobicContact CD1-CG1 4.15Å; I69-V387 HydrophobicContact CD1-CG2 4.26Å; V385-V387 HydrophobicContact CG1-CG2 4.29Å; V385-V387 PolarHBondContact O-N 3.27Å; V387-Q394 HydrophobicContact CG2-CB 3.91Å; V387-Q394 HydrophobicContact CG2-CG 4.01Å; V387-Y396 HydrophobicContact CG2-CE2 3.52Å
388	N	64.4	Low	78.4	Confident	85 Å²	85	38.5 Å²	38.5	46%	0.455	21%	0.212	S	C	.	.	S	Bend	trans	-115	-9.7	-167.5	-66.5	-25.3	0	0	0	113.4	D386 D390	D386-N388 PolarHBondContact OD1-N 3.21Å; D386-N388 VanDerWaalsContact OD1-N 3.11Å; N388-D390 HydrophobicContact CB-CB 4.45Å; N388-D390 WeakPolarHBondContact CB-OD2 3.4Å; N388-D390 PolarHBondContact ND2-OD2 2.78Å; N388-D390 PolarHBondContact O-N 3.1Å
389	G	64.1	Low	78.3	Confident	34 Å²	34	38.4 Å²	38.4	35%	0.351	21%	0.211	S	C	.	.	S	Bend	trans	75.6	9.1	-176.4	0	0	0	0	0	113.4	D386 G391	D386-G389 PolarHBondContact OD1-N 2.94Å; D386-G389 WeakPolarHBondContact OD2-CA 3.22Å; G389-G391 VanDerWaalsContact C-N 3.31Å
390	D	64.9	Low	78.2	Confident	89 Å²	89	38.4 Å²	38.4	48%	0.476	21%	0.211	S	C	.	.	S	Bend	trans	-91.3	3.5	178.5	58.1	8.3	0	0	0	112	N388 M392	N388-D390 HydrophobicContact CB-CB 4.45Å; N388-D390 WeakPolarHBondContact CB-OD2 3.4Å; N388-D390 PolarHBondContact ND2-OD2 2.78Å; N388-D390 PolarHBondContact O-N 3.1Å; D390-M392 VanDerWaalsContact C-N 3.25Å; D390-M392 PolarHBondContact O-N 3.28Å; D390-M392 WeakPolarHBondContact OD1-CB 3.28Å; D390-M392 PolarHBondContact OD1-N 3.48Å
391	G	65.4	Low	78.3	Confident	54 Å²	54	38.9 Å²	38.9	56%	0.557	21%	0.213	S	C	*	.	S	Bend	trans	81.2	-3.4	-173.9	0	0	0	0	0	113.9	D386 G389 Q393	D386-G391 WeakPolarHBondContact OD2-CA 3.44Å; D386-G391 PolarHBondContact OD2-N 3.44Å; G389-G391 VanDerWaalsContact C-N 3.31Å; G391-Q393 PolarHBondContact O-N 2.88Å
392	M	68.1	Low	78.7	Confident	129 Å²	129	38.7 Å²	38.7	64%	0.635	21%	0.209	S	C	*	.			trans	-80.6	104.1	179.5	-63	-165.3	73	0	0	110.9	D390	D390-M392 VanDerWaalsContact C-N 3.25Å; D390-M392 PolarHBondContact O-N 3.28Å; D390-M392 WeakPolarHBondContact OD1-CB 3.28Å; D390-M392 PolarHBondContact OD1-N 3.48Å
393	Q	72.9	Confident	79.2	Confident	126 Å²	126	37.3 Å²	37.3	59%	0.589	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.5	177.1	-63.6	-171.3	-15.4	0	0	112	W384 V385 G391	W384-Q393 HydrophobicContact CB-CB 4.38Å; W384-Q393 HydrophobicContact CE3-CB 4.28Å; V385-Q393 WeakPolarHBondContact O-CA 3.48Å; G391-Q393 PolarHBondContact O-N 2.88Å
394	Q	76.1	Confident	79.8	Confident	26 Å²	26	37.3 Å²	37.3	12%	0.121	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.6	169.5	-62.5	-175.6	11.8	0	0	109.4	V385 V387 Y396	V385-Q394 PolarHBondContact N-O 3.14Å; V385-Q394 PolarHBondContact O-N 3.39Å; V387-Q394 HydrophobicContact CG2-CB 3.91Å; V387-Q394 HydrophobicContact CG2-CG 4.01Å; Q394-Y396 HydrophobicContact CB-CD2 4.3Å; Q394-Y396 HydrophobicContact CB-CE2 3.71Å; Q394-Y396 PolarHBondContact OE1-OH 2.92Å; Q394-Y396 VanDerWaalsContact OE1-OH 3.07Å
395	D	79.7	Confident	80.7	Confident	22 Å²	22	33 Å²	33	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.1	176.8	65	-58.4	0	0	0	110.7	R126 E127 Y347 H382 W384	R126-D395 WeakPolarHBondContact CA-OD2 3.43Å; R126-D395 PolarHBondContact N-OD2 2.65Å; E127-D395 PolarHBondContact N-OD2 2.88Å; Y347-D395 WeakPolarHBondContact CE1-O 3.45Å; H382-D395 WeakPolarHBondContact NE2-CB 3.42Å; W384-D395 HydrophobicContact CD2-CB 4.47Å; W384-D395 HydrophobicContact CE3-CB 3.99Å; W384-D395 HydrophobicContact CH2-CB 4.1Å; W384-D395 HydrophobicContact CZ3-CB 3.79Å
396	Y	84.3	Confident	81.7	Confident	8 Å²	8	33.1 Å²	33.1	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.7	172.2	-73.5	-83.7	0	0	0	110.7	Y345 Y347 H382 Q383 V385 V387 Q394	Y345-Y396 HydrophobicContact CD1-CD2 4.19Å; Y345-Y396 HydrophobicContact CD1-CG 4.03Å; Y345-Y396 HydrophobicContact CG-CG 4.44Å; Y347-Y396 AromaticContact CD1-CD1 3.87Å; Y347-Y396 HydrophobicContact CD1-CD1 3.87Å; Y347-Y396 HydrophobicContact CD1-CE1 4.29Å; Y347-Y396 AromaticContact CE1-CD1 3.24Å; Y347-Y396 HydrophobicContact CE1-CD1 3.24Å; Y347-Y396 AromaticContact CE1-CE1 3.45Å; Y347-Y396 HydrophobicContact CE1-CE1 3.45Å; Y347-Y396 VanDerWaalsContact CE1-CE1 3.45Å; Y347-Y396 HydrophobicContact CE1-CG 4.06Å; Y347-Y396 HydrophobicContact CE2-CE1 4.12Å; Y347-Y396 AromaticContact CZ-CD1 3.7Å; Y347-Y396 AromaticContact CZ-CE1 3.34Å; Y347-Y396 WeakPolarHBondContact OH-CE1 3.34Å; H382-Y396 CarbonylContact C-O 3.59Å; H382-Y396 WeakPolarHBondContact CA-O 3.23Å; Q383-Y396 PolarHBondContact N-O 3.4Å; Q383-Y396 PolarHBondContact O-N 3.16Å; V385-Y396 HydrophobicContact CB-CD2 3.96Å; V385-Y396 HydrophobicContact CB-CE2 4.46Å; V385-Y396 HydrophobicContact CG1-CD2 4.47Å; V385-Y396 HydrophobicContact CG2-CD2 4.09Å; V387-Y396 HydrophobicContact CG2-CE2 3.52Å; Q394-Y396 HydrophobicContact CB-CD2 4.3Å; Q394-Y396 HydrophobicContact CB-CE2 3.71Å; Q394-Y396 PolarHBondContact OE1-OH 2.92Å; Q394-Y396 VanDerWaalsContact OE1-OH 3.07Å
397	N	90.1	Very high	82.9	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.8	152.9	-71.5	-77.7	0	0	0	109	Y129 Q346 C348 F379 G381	Y129-N397 WeakPolarHBondContact CE2-ND2 3.36Å; Y129-N397 PolarHBondContact OH-N 3.1Å; Y129-N397 PolarHBondContact OH-ND2 2.71Å; Q346-N397 WeakPolarHBondContact CG-O 3.47Å; Q346-N397 PolarHBondContact N-O 3.05Å; Q346-N397 PolarHBondContact NE2-O 2.78Å; Q346-N397 WeakPolarHBondContact O-CB 3.43Å; Q346-N397 PolarHBondContact O-N 3.43Å; Q346-N397 VanDerWaalsContact O-N 3.1Å; Q346-N397 VanDerWaalsContact O-O 3.07Å; C348-N397 PolarHBondContact O-ND2 3.32Å; F379-N397 HydrophobicContact CE2-CB 3.87Å; F379-N397 HydrophobicContact CZ-CB 4.2Å; G381-N397 CarbonylContact O-C 3.5Å; G381-N397 WeakPolarHBondContact O-CA 3.42Å
398	V	91	Very high	84.4	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.6	-171.4	-179.7	0	0	0	0	110.4	L343 L344 Y345 S380 G381 Q383	L343-V398 HydrophobicContact CB-CG1 4.06Å; L343-V398 HydrophobicContact CD1-CG1 4.15Å; L343-V398 HydrophobicContact CD2-CG1 3.83Å; L343-V398 HydrophobicContact CG-CG1 4.23Å; L344-V398 CarbonylContact O-C 3.43Å; L344-V398 WeakPolarHBondContact O-CA 3.15Å; Y345-V398 HydrophobicContact CD1-CG2 3.83Å; Y345-V398 HydrophobicContact CE1-CG2 4Å; S380-V398 PolarHBondContact N-O 3.24Å; G381-V398 PolarHBondContact N-O 2.95Å; G381-V398 PolarHBondContact O-N 2.78Å; Q383-V398 HydrophobicContact CB-CG2 3.68Å
399	A	95	Very high	85.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.5	169.1	0	0	0	0	0	110.8	L343 L344 V359 V378 R401	L343-A399 CarbonylContact C-O 3.59Å; L343-A399 WeakPolarHBondContact CA-O 3.2Å; L344-A399 HydrophobicContact CB-CB 4.37Å; L344-A399 PolarHBondContact N-O 3.26Å; L344-A399 PolarHBondContact O-N 3.42Å; V359-A399 HydrophobicContact CG2-CB 3.88Å; V378-A399 CarbonylContact O-C 3.35Å; V378-A399 WeakPolarHBondContact O-CA 3.26Å; V378-A399 WeakPolarHBondContact O-CB 3.1Å; A399-R401 PolarHBondContact O-N 3.12Å
400	V	95.6	Very high	87.5	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.1	174.4	-176.3	0	0	0	0	109.3	A282 D283 D285 Y286 L343 G377 V378 K406	A282-V400 WeakPolarHBondContact O-CG2 3.05Å; D283-V400 WeakPolarHBondContact O-CG1 2.79Å; D285-V400 HydrophobicContact CB-CG2 3.96Å; Y286-V400 HydrophobicContact CD1-CG1 4.07Å; L343-V400 HydrophobicContact CD2-CG2 4.15Å; G377-V400 CarbonylContact C-O 3.57Å; G377-V400 WeakPolarHBondContact CA-O 3.45Å; V378-V400 PolarHBondContact N-O 3.45Å; V378-V400 PolarHBondContact O-N 3.24Å; V400-K406 HydrophobicContact CG1-CD 4.3Å; V400-K406 VanDerWaalsContact CG1-NZ 3.25Å
401	R	95.9	Very high	89	Confident	13 Å²	13	22.3 Å²	22.3	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.8	176.1	-66.5	175.4	67.6	151.9	3.7	110.7	I305 P306 E339 S340 N341 D342 L343 L344 A399 T403 K406	I305-R401 PolarHBondContact O-NH2 3.19Å; P306-R401 PolarHBondContact O-NH2 3.49Å; E339-R401 VanDerWaalsContact CD-NH1 3.32Å; E339-R401 IonicContact OE1-NH1 2.75Å; E339-R401 IonicContact OE2-NH1 3.57Å; S340-R401 WeakPolarHBondContact O-CD 3.32Å; S340-R401 PolarHBondContact O-NH1 2.71Å; N341-R401 WeakPolarHBondContact O-CD 2.9Å; D342-R401 WeakPolarHBondContact O-CB 3.36Å; D342-R401 PolarHBondContact O-N 2.65Å; L343-R401 WeakPolarHBondContact O-CD 3.36Å; L344-R401 HydrophobicContact CD1-CG 4.34Å; L344-R401 HydrophobicContact CD2-CG 3.59Å; L344-R401 HydrophobicContact CG-CG 3.5Å; A399-R401 PolarHBondContact O-N 3.12Å; R401-T403 HydrophobicContact CB-CG2 4.35Å; R401-T403 PolarHBondContact O-N 2.91Å; R401-K406 WeakPolarHBondContact O-CD 3.38Å; R401-K406 PolarHBondContact O-NZ 3.02Å
402	I	96.6	Very high	90.4	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.041	10%	0.102	C	C	.	.			trans	-85	103.6	166.1	-63.1	-179.5	0	0	0	108.2	L169 L302 V304 I375 I376 Y407	L169-I402 HydrophobicContact CD2-CD1 4Å; L302-I402 HydrophobicContact CD2-CD1 3.74Å; V304-I402 HydrophobicContact CG2-CG2 4.35Å; I375-I402 HydrophobicContact CB-CD1 4.4Å; I375-I402 HydrophobicContact CG2-CD1 3.81Å; I376-I402 PolarHBondContact O-N 3.39Å; I402-Y407 HydrophobicContact CG2-CD2 4.19Å
403	T	94.2	Very high	91.8	Very high	7 Å²	7	15.7 Å²	15.7	4%	0.043	7%	0.073	C	C	.	.			trans	-90.1	165.6	177.7	71.8	0	0	0	0	109.6	W114 D342 R401 L405 K406 Y407	W114-T403 HydrophobicContact CH2-CG2 3.33Å; W114-T403 HydrophobicContact CZ2-CG2 3.71Å; D342-T403 WeakPolarHBondContact OD1-CG2 3.23Å; R401-T403 HydrophobicContact CB-CG2 4.35Å; R401-T403 PolarHBondContact O-N 2.91Å; T403-L405 PolarHBondContact O-N 3.29Å; T403-K406 HydrophobicContact CG2-CD 4.03Å; T403-K406 PolarHBondContact O-N 2.76Å; T403-K406 WeakPolarHBondContact OG1-CG 3.3Å; T403-K406 PolarHBondContact OG1-N 2.83Å; T403-Y407 VanDerWaalsContact O-CB 3.26Å; T403-Y407 WeakPolarHBondContact O-CB 3.19Å; T403-Y407 PolarHBondContact O-N 2.84Å
404	P	93.2	Very high	92.9	Very high	7 Å²	7	10.9 Å²	10.9	5%	0.045	5%	0.052	C	C	.	.	H	α-helix	trans	-52.8	-40.2	175.2	-26.5	33.2	0	0	0	113.5	P40 V111 V304 A408	P40-P404 HydrophobicContact CG-CB 4.4Å; V111-P404 HydrophobicContact CG1-CB 4.25Å; V111-P404 HydrophobicContact CG1-CG 4.09Å; V304-P404 HydrophobicContact CG1-CG 4.02Å; P404-A408 WeakPolarHBondContact O-CB 3.11Å; P404-A408 PolarHBondContact O-N 3.33Å
405	L	93.1	Very high	93.7	Very high	29 Å²	29	14.1 Å²	14.1	15%	0.152	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-46.5	177.6	-73.5	170.1	0	0	0	112.4	P40 L83 L87 V105 L108 T403 Y407 A408 Q409	P40-L405 HydrophobicContact CB-CD2 4.2Å; P40-L405 HydrophobicContact CG-CD2 3.59Å; P40-L405 HydrophobicContact CG-CG 4.16Å; L83-L405 HydrophobicContact CD1-CD1 4.09Å; L83-L405 HydrophobicContact CD2-CD1 3.98Å; L87-L405 HydrophobicContact CD1-CB 4.21Å; L87-L405 HydrophobicContact CD1-CD2 4Å; V105-L405 HydrophobicContact CG1-CD2 3.67Å; L108-L405 HydrophobicContact CD2-CD1 4.3Å; L108-L405 HydrophobicContact CD2-CD2 4.24Å; L108-L405 HydrophobicContact CG-CD2 4.37Å; T403-L405 PolarHBondContact O-N 3.29Å; L405-Y407 VanDerWaalsContact C-N 3.32Å; L405-Y407 PolarHBondContact O-N 3.2Å; L405-A408 WeakPolarHBondContact O-CB 3.17Å; L405-A408 PolarHBondContact O-N 2.83Å; L405-Q409 PolarHBondContact O-N 2.9Å
406	K	96	Very high	94.2	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-39.8	177	-67.8	173.5	-177.6	167.9	0	111.2	D283 Y286 D342 V400 R401 T403 Q409 I410	D283-K406 WeakPolarHBondContact O-CE 3.46Å; D283-K406 PolarHBondContact O-NZ 3.47Å; Y286-K406 HydrophobicContact CD1-CD 4.42Å; Y286-K406 HydrophobicContact CE1-CD 3.88Å; Y286-K406 HydrophobicContact CE1-CG 3.91Å; D342-K406 PolarHBondContact O-NZ 3.17Å; D342-K406 WeakPolarHBondContact OD1-CE 3.48Å; D342-K406 IonicContact OD1-NZ 2.64Å; D342-K406 PolarHBondContact OD1-NZ 3.33Å; V400-K406 HydrophobicContact CG1-CD 4.3Å; V400-K406 VanDerWaalsContact CG1-NZ 3.25Å; R401-K406 WeakPolarHBondContact O-CD 3.38Å; R401-K406 PolarHBondContact O-NZ 3.02Å; T403-K406 HydrophobicContact CG2-CD 4.03Å; T403-K406 PolarHBondContact O-N 2.76Å; T403-K406 WeakPolarHBondContact OG1-CG 3.3Å; T403-K406 PolarHBondContact OG1-N 2.83Å; K406-Q409 PolarHBondContact O-N 3.09Å; K406-I410 WeakPolarHBondContact O-CB 3.21Å; K406-I410 WeakPolarHBondContact O-CD1 3.07Å; K406-I410 WeakPolarHBondContact O-CG1 3.42Å; K406-I410 PolarHBondContact O-N 2.01Å
407	Y	96.4	Very high	94.3	Very high	25 Å²	25	18 Å²	18	10%	0.098	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-48.7	173.9	-178.1	-79.7	0	0	0	110.9	V39 L302 V304 I402 T403 L405 Q409 I410 C411 C421 A424	V39-Y407 HydrophobicContact CB-CD1 4.5Å; V39-Y407 HydrophobicContact CG1-CD1 3.78Å; V39-Y407 HydrophobicContact CG1-CE1 4.34Å; V39-Y407 HydrophobicContact CG2-CD1 3.87Å; V39-Y407 HydrophobicContact CG2-CE1 4Å; L302-Y407 HydrophobicContact CB-CD2 3.66Å; L302-Y407 HydrophobicContact CB-CE2 3.48Å; L302-Y407 VanDerWaalsContact CB-CE2 3.48Å; L302-Y407 HydrophobicContact CD1-CD2 4.4Å; V304-Y407 HydrophobicContact CG2-CD2 3.88Å; V304-Y407 HydrophobicContact CG2-CG 3.99Å; I402-Y407 HydrophobicContact CG2-CD2 4.19Å; T403-Y407 VanDerWaalsContact O-CB 3.26Å; T403-Y407 WeakPolarHBondContact O-CB 3.19Å; T403-Y407 PolarHBondContact O-N 2.84Å; L405-Y407 VanDerWaalsContact C-N 3.32Å; L405-Y407 PolarHBondContact O-N 3.2Å; Y407-Q409 VanDerWaalsContact C-N 3.34Å; Y407-Q409 PolarHBondContact O-N 2.91Å; Y407-I410 PolarHBondContact O-N 3.31Å; Y407-C411 VanDerWaalsContact O-CB 3.29Å; Y407-C411 WeakPolarHBondContact O-CB 3Å; Y407-C411 PolarHBondContact O-N 3Å; Y407-C421 HydrophobicContact CE1-CB 3.55Å; Y407-A424 HydrophobicContact CD1-CB 4.02Å; Y407-A424 HydrophobicContact CD2-CB 3.9Å; Y407-A424 HydrophobicContact CE1-CB 3.83Å; Y407-A424 HydrophobicContact CE2-CB 3.69Å; Y407-A424 HydrophobicContact CG-CB 4.07Å
408	A	95.3	Very high	93.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-45.2	177.6	0	0	0	0	0	112.1	V39 P40 V42 P404 L405 C411 Y412	V39-A408 HydrophobicContact CG1-CB 3.61Å; P40-A408 HydrophobicContact CG-CB 4.4Å; P40-A408 WeakPolarHBondContact O-CB 3.42Å; V42-A408 HydrophobicContact CG2-CB 3.73Å; P404-A408 WeakPolarHBondContact O-CB 3.11Å; P404-A408 PolarHBondContact O-N 3.33Å; L405-A408 WeakPolarHBondContact O-CB 3.17Å; L405-A408 PolarHBondContact O-N 2.83Å; A408-C411 PolarHBondContact O-N 2.99Å; A408-Y412 WeakPolarHBondContact O-CB 3.12Å; A408-Y412 PolarHBondContact O-N 3.46Å
409	Q	96.5	Very high	93.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-45.4	179.3	-166.7	-162.2	46.6	0	0	112	L87 Y286 L405 K406 Y407 Y412 W413	L87-Q409 HydrophobicContact CD2-CB 4.34Å; L87-Q409 HydrophobicContact CD2-CG 4.48Å; L87-Q409 PolarHBondContact O-NE2 3.24Å; Y286-Q409 PolarHBondContact OH-OE1 3.06Å; L405-Q409 PolarHBondContact O-N 2.9Å; K406-Q409 PolarHBondContact O-N 3.09Å; Y407-Q409 VanDerWaalsContact C-N 3.34Å; Y407-Q409 PolarHBondContact O-N 2.91Å; Q409-Y412 WeakPolarHBondContact O-CB 3.33Å; Q409-Y412 PolarHBondContact O-N 3.23Å; Q409-W413 HydrophobicContact CG-CD2 4.37Å; Q409-W413 HydrophobicContact CG-CH2 4.01Å; Q409-W413 HydrophobicContact CG-CZ2 3.63Å; Q409-W413 PolarHBondContact O-N 3.07Å
410	I	97.4	Very high	92.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-41.6	177.5	-64.3	162.5	0	0	0	110.3	L169 Y286 V288 L302 K406 Y407 Y412 W413 V414	L169-I410 HydrophobicContact CD1-CD1 3.93Å; L169-I410 HydrophobicContact CD1-CG1 4.46Å; L169-I410 HydrophobicContact CD2-CD1 4.45Å; Y286-I410 HydrophobicContact CD2-CD1 4.27Å; Y286-I410 HydrophobicContact CD2-CG1 4.36Å; Y286-I410 HydrophobicContact CE2-CD1 4.44Å; Y286-I410 HydrophobicContact CE2-CG1 4.27Å; V288-I410 HydrophobicContact CG2-CG1 4.32Å; V288-I410 HydrophobicContact CG2-CG2 4.03Å; L302-I410 HydrophobicContact CD1-CB 3.97Å; L302-I410 HydrophobicContact CD1-CD1 4.46Å; L302-I410 HydrophobicContact CD1-CG2 3.45Å; L302-I410 VanDerWaalsContact CD1-CG2 3.45Å; K406-I410 WeakPolarHBondContact O-CB 3.21Å; K406-I410 WeakPolarHBondContact O-CD1 3.07Å; K406-I410 WeakPolarHBondContact O-CG1 3.42Å; K406-I410 PolarHBondContact O-N 2.01Å; Y407-I410 PolarHBondContact O-N 3.31Å; I410-Y412 VanDerWaalsContact C-N 3.35Å; I410-Y412 PolarHBondContact O-N 3.25Å; I410-W413 HydrophobicContact CG1-CE3 4.35Å; I410-W413 HydrophobicContact CG1-CZ3 4.38Å; I410-W413 PolarHBondContact O-N 3.48Å; I410-V414 HydrophobicContact CG2-CG2 4.28Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.35Å; I410-V414 PolarHBondContact O-N 3.36Å
411	C	95.6	Very high	92.4	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-57	-49	173.7	167.9	0	0	0	0	111	Y407 A408 W413 V414 H415 C421	Y407-C411 VanDerWaalsContact O-CB 3.29Å; Y407-C411 WeakPolarHBondContact O-CB 3Å; Y407-C411 PolarHBondContact O-N 3Å; A408-C411 PolarHBondContact O-N 2.99Å; C411-W413 VanDerWaalsContact C-N 3.25Å; C411-W413 PolarHBondContact O-N 3.23Å; C411-V414 PolarHBondContact O-N 3.4Å; C411-H415 WeakPolarHBondContact O-CB 2.96Å; C411-H415 PolarHBondContact O-CD2 3.45Å; C411-H415 PolarHBondContact O-N 2.87Å; C411-C421 HydrophobicContact CB-CB 3.66Å; C411-C421 WeakPolarHBondContact CB-SG 3.42Å; C411-C421 WeakPolarHBondContact SG-CB 3.43Å; C411-C421 CovalentContact SG-SG 2.02Å; C411-C421 PolarHBondContact SG-SG 3.07Å
412	Y	95.7	Very high	91.7	Very high	37 Å²	37	31.4 Å²	31.4	15%	0.145	17%	0.17	C	C	.	.	H	α-helix	trans	-56	-40.4	176.6	175.6	-90.3	0	0	0	111.9	K44 Y89 A408 Q409 I410 G416	K44-Y412 VanDerWaalsContact CB-OH 3.25Å; K44-Y412 WeakPolarHBondContact CB-OH 2.95Å; Y89-Y412 HydrophobicContact CE1-CE1 4.49Å; Y89-Y412 WeakPolarHBondContact OH-CE1 3.48Å; A408-Y412 WeakPolarHBondContact O-CB 3.12Å; A408-Y412 PolarHBondContact O-N 3.46Å; Q409-Y412 WeakPolarHBondContact O-CB 3.33Å; Q409-Y412 PolarHBondContact O-N 3.23Å; I410-Y412 VanDerWaalsContact C-N 3.35Å; I410-Y412 PolarHBondContact O-N 3.25Å; Y412-G416 VanDerWaalsContact CE2-O 3.23Å; Y412-G416 WeakPolarHBondContact CE2-O 3.4Å; Y412-G416 WeakPolarHBondContact O-CA 3.26Å; Y412-G416 PolarHBondContact O-N 3.24Å
413	W	97.1	Very high	91	Very high	6 Å²	6	35 Å²	35	2%	0.023	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-33.9	176.1	-66.4	-21	0	0	0	114	Y89 Q267 P269 Y286 V288 Q409 I410 C411	Y89-W413 AromaticContact CD1-CZ2 3.96Å; Y89-W413 HydrophobicContact CD1-CZ2 3.96Å; Y89-W413 AromaticContact CD1-NE1 3.51Å; Y89-W413 HydrophobicContact CD2-CZ2 4.32Å; Y89-W413 AromaticContact CD2-NE1 3.73Å; Y89-W413 AromaticContact CE1-NE1 3.43Å; Y89-W413 AromaticContact CE2-NE1 3.67Å; Y89-W413 AromaticContact CG-CE2 4Å; Y89-W413 AromaticContact CG-CZ2 3.74Å; Y89-W413 HydrophobicContact CG-CZ2 3.74Å; Y89-W413 AromaticContact CG-NE1 3.67Å; Y89-W413 AromaticContact CZ-NE1 3.52Å; Q267-W413 HydrophobicContact CB-CD2 3.99Å; Q267-W413 HydrophobicContact CB-CE3 4.31Å; Q267-W413 HydrophobicContact CB-CG 4.39Å; Q267-W413 HydrophobicContact CB-CZ2 4.26Å; P269-W413 HydrophobicContact CB-CH2 4.43Å; Y286-W413 HydrophobicContact CD2-CZ3 4.21Å; Y286-W413 HydrophobicContact CE2-CH2 4Å; Y286-W413 AromaticContact CE2-CZ3 3.88Å; Y286-W413 HydrophobicContact CE2-CZ3 3.88Å; V288-W413 HydrophobicContact CB-CE3 3.74Å; V288-W413 HydrophobicContact CB-CZ3 4.3Å; V288-W413 HydrophobicContact CG2-CE3 3.52Å; V288-W413 HydrophobicContact CG2-CZ3 3.93Å; Q409-W413 HydrophobicContact CG-CD2 4.37Å; Q409-W413 HydrophobicContact CG-CH2 4.01Å; Q409-W413 HydrophobicContact CG-CZ2 3.63Å; Q409-W413 PolarHBondContact O-N 3.07Å; I410-W413 HydrophobicContact CG1-CE3 4.35Å; I410-W413 HydrophobicContact CG1-CZ3 4.38Å; I410-W413 PolarHBondContact O-N 3.48Å; C411-W413 VanDerWaalsContact C-N 3.25Å; C411-W413 PolarHBondContact O-N 3.23Å
414	V	96.3	Very high	90.1	Very high	25 Å²	25	35 Å²	35	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-76.4	-42.9	-179.6	171.1	0	0	0	0	112.2	V163 H167 I410 C411	V163-V414 HydrophobicContact CG2-CG2 4.38Å; H167-V414 HydrophobicContact CB-CG2 3.88Å; H167-V414 PolarHBondContact CE1-O 2.7Å; I410-V414 HydrophobicContact CG2-CG2 4.28Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.35Å; I410-V414 PolarHBondContact O-N 3.36Å; C411-V414 PolarHBondContact O-N 3.4Å
415	H	93.2	Very high	90	Very high	94 Å²	94	36.5 Å²	36.5	44%	0.435	20%	0.201	S	C	.	.	H	α-helix	trans	-102.2	-26.5	-170.6	-68.7	-86.5	0	0	0	113	C411 D417 E420	C411-H415 WeakPolarHBondContact O-CB 2.96Å; C411-H415 PolarHBondContact O-CD2 3.45Å; C411-H415 PolarHBondContact O-N 2.87Å; H415-D417 VanDerWaalsContact C-N 3.27Å; H415-E420 HydrophobicContact CB-CB 4.38Å; H415-E420 IonicContact CE1-OE2 3.3Å; H415-E420 IonicContact CG-OE2 2.76Å; H415-E420 IonicContact ND1-OE2 2.94Å; H415-E420 PolarHBondContact ND1-OE2 2.92Å
416	G	89.9	Confident	89.8	Confident	50 Å²	50	36.8 Å²	36.8	52%	0.515	20%	0.203	S	C	.	.	S	Bend	trans	88.9	-11.1	-170.4	0	0	0	0	0	113.5	Y412	Y412-G416 VanDerWaalsContact CE2-O 3.23Å; Y412-G416 WeakPolarHBondContact CE2-O 3.4Å; Y412-G416 WeakPolarHBondContact O-CA 3.26Å; Y412-G416 PolarHBondContact O-N 3.24Å
417	D	85.9	Confident	89.4	Confident	63 Å²	63	38.7 Å²	38.7	34%	0.337	21%	0.214	S	C	.	.			trans	-143.2	130.1	176.4	-174.4	1.5	0	0	0	110.3	H415 S419	H415-D417 VanDerWaalsContact C-N 3.27Å; D417-S419 PolarHBondContact O-N 3.22Å; D417-S419 WeakPolarHBondContact OD1-CB 3.24Å; D417-S419 PolarHBondContact OD1-N 2.87Å; D417-S419 PolarHBondContact OD1-OG 3.35Å; D417-S419 WeakPolarHBondContact OD2-CB 2.97Å; D417-S419 PolarHBondContact OD2-OG 2.83Å
418	S	82.6	Confident	89	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-74.2	-16.3	176.3	67.9	0	0	0	0	113	L41 V42 E420 C421	L41-S418 WeakPolarHBondContact CD2-OG 3.46Å; V42-S418 PolarHBondContact N-OG 3.16Å; V42-S418 VanDerWaalsContact N-OG 3.17Å; V42-S418 PolarHBondContact O-OG 3.48Å; S418-E420 PolarHBondContact O-N 2.79Å; S418-C421 PolarHBondContact O-N 3.11Å; S418-C421 VanDerWaalsContact O-N 3.12Å
419	S	80.3	Confident	88.6	Confident	45 Å²	45	41.9 Å²	41.9	32%	0.315	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.6	-21.3	179.5	85.7	0	0	0	0	112.8	D417 C421 Q422	D417-S419 PolarHBondContact O-N 3.22Å; D417-S419 WeakPolarHBondContact OD1-CB 3.24Å; D417-S419 PolarHBondContact OD1-N 2.87Å; D417-S419 PolarHBondContact OD1-OG 3.35Å; D417-S419 WeakPolarHBondContact OD2-CB 2.97Å; D417-S419 PolarHBondContact OD2-OG 2.83Å; S419-C421 PolarHBondContact O-N 3.22Å; S419-Q422 WeakPolarHBondContact O-CG 3.45Å; S419-Q422 PolarHBondContact O-NE2 3.43Å
420	E	85.2	Confident	88.1	Confident	122 Å²	122	44.7 Å²	44.7	57%	0.57	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-69.6	-14.9	174.6	-67.1	-172	-154	0	0	112.8	H415 S418	H415-E420 HydrophobicContact CB-CB 4.38Å; H415-E420 IonicContact CE1-OE2 3.3Å; H415-E420 IonicContact CG-OE2 2.76Å; H415-E420 IonicContact ND1-OE2 2.94Å; H415-E420 PolarHBondContact ND1-OE2 2.92Å; S418-E420 PolarHBondContact O-N 2.79Å
421	C	84.9	Confident	87.5	Confident	13 Å²	13	47.8 Å²	47.8	9%	0.088	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-127.6	49	-177	-38.8	0	0	0	0	113.3	V39 Y407 C411 S418 S419 V423	V39-C421 VanDerWaalsContact CB-O 3.32Å; V39-C421 WeakPolarHBondContact CB-O 3.5Å; V39-C421 WeakPolarHBondContact CG2-O 3.17Å; Y407-C421 HydrophobicContact CE1-CB 3.55Å; C411-C421 HydrophobicContact CB-CB 3.66Å; C411-C421 WeakPolarHBondContact CB-SG 3.42Å; C411-C421 WeakPolarHBondContact SG-CB 3.43Å; C411-C421 CovalentContact SG-SG 2.02Å; C411-C421 PolarHBondContact SG-SG 3.07Å; S418-C421 PolarHBondContact O-N 3.11Å; S418-C421 VanDerWaalsContact O-N 3.12Å; S419-C421 PolarHBondContact O-N 3.22Å; C421-V423 PolarHBondContact O-N 3.48Å
422	Q	80.8	Confident	86.8	Confident	117 Å²	117	51.2 Å²	51.2	55%	0.547	29%	0.285	S	S	.	.	S	Bend	trans	-65	-17.4	179.1	-72.8	172.5	29	0	0	114.3	V39 S419	V39-Q422 PolarHBondContact N-O 3.41Å; V39-Q422 VanDerWaalsContact N-O 3.08Å; S419-Q422 WeakPolarHBondContact O-CG 3.45Å; S419-Q422 PolarHBondContact O-NE2 3.43Å
423	V	81.2	Confident	86.1	Confident	83 Å²	83	52.3 Å²	52.3	50%	0.503	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-130.2	124.8	177.2	-174.4	0	0	0	0	110	Q36 W37 C421	Q36-V423 HydrophobicContact CB-CG1 4.18Å; W37-V423 WeakPolarHBondContact O-CA 3.21Å; C421-V423 PolarHBondContact O-N 3.48Å
424	A	76	Confident	85.1	Confident	9 Å²	9	56.5 Å²	56.5	7%	0.074	32%	0.322	C	S	.	.			trans	-93.9	0	179.3	0	0	0	0	0	114	W37 V39 V304 K374 Y407	W37-A424 HydrophobicContact CB-CB 4.46Å; W37-A424 PolarHBondContact O-N 2.89Å; W37-A424 VanDerWaalsContact O-N 3.16Å; V39-A424 HydrophobicContact CG2-CB 3.59Å; V304-A424 HydrophobicContact CB-CB 4.04Å; V304-A424 HydrophobicContact CG2-CB 3.66Å; K374-A424 PolarHBondContact NZ-OXT 3.31Å; Y407-A424 HydrophobicContact CD1-CB 4.02Å; Y407-A424 HydrophobicContact CD2-CB 3.9Å; Y407-A424 HydrophobicContact CE1-CB 3.83Å; Y407-A424 HydrophobicContact CE2-CB 3.69Å; Y407-A424 HydrophobicContact CG-CB 4.07Å

Retrieved 424 of 424 residues in 112.3 ms (Link to these results)

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