A0A077ZBG7_TRITR Loading...

I-set domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 415 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	40	Very low	252 Å²	252	137 Å²	137	100%	1.241	82%	0.815	S	S	*	*				0	126.6	0	-66.9	179.6	-175.1	0	0	107.2
2	G	39.1	Very low	40	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	82%	0.82	S	S	*	*			trans	83.9	86.9	175.1	0	0	0	0	0	114.5
3	E	38.1	Very low	40.3	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	82%	0.815	S	S	*	*				81.3	104.7	86.2	-73.2	-171.2	157.8	0	0	112.8
4	L	37.7	Very low	40.8	Very low	170 Å²	170	132.1 Å²	132.1	89%	0.89	80%	0.8	S	S	*	*				64.8	127.2	96.3	-67.6	166	0	0	0	111.9
5	G	35.6	Very low	41.3	Very low	64 Å²	64	133.4 Å²	133.4	66%	0.66	80%	0.798	S	S	*	*			cis	152.2	150.4	10.1	0	0	0	0	0	108.7
6	V	40.2	Very low	41.4	Very low	143 Å²	143	133.3 Å²	133.3	87%	0.867	79%	0.791	S	S	*	*			trans	85.9	99.2	152.2	-162.2	0	0	0	0	120
7	S	37.8	Very low	41.6	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	79%	0.786	S	S	*	*				48.7	121.5	123.4	-166.4	0	0	0	0	121
8	T	40.9	Very low	41.7	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	79%	0.79	S	S	*	*			trans	-149.9	103	138.8	-30.3	0	0	0	0	111.9
9	I	44.4	Very low	42.2	Very low	145 Å²	145	135.1 Å²	135.1	74%	0.744	79%	0.789	S	S	*	*			trans	55.3	90	137.6	-47.4	172.6	0	0	0	116.9	S11	I9-S11 PolarHBondContact O-N 3.14Å
10	L	39.1	Very low	42.6	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	78%	0.78	S	S	*	*			trans	-70.5	118.2	153.7	-80.3	159.7	0	0	0	108.6	L12	L10-L12 PolarHBondContact O-N 2.92Å
11	S	46.4	Very low	42.6	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	79%	0.789	S	S	*	*			trans	-59.6	126.7	174.8	46.5	0	0	0	0	111.2	I9 P13	I9-S11 PolarHBondContact O-N 3.14Å; S11-P13 VanDerWaalsContact O-CD 3.28Å; S11-P13 WeakPolarHBondContact O-CD 3.24Å
12	L	40.3	Very low	42.4	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	99.6	173.3	-77.5	125	0	0	0	109.6	L10	L10-L12 PolarHBondContact O-N 2.92Å
13	P	44.1	Very low	42.4	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn		-146.4	14	122.4	29.9	-10	0	0	0	114.3	S11	S11-P13 VanDerWaalsContact O-CD 3.28Å; S11-P13 WeakPolarHBondContact O-CD 3.24Å
14	G	46.4	Very low	42.5	Very low	59 Å²	59	128.6 Å²	128.6	61%	0.608	76%	0.76	S	S	*	*	S	Bend	trans	-91.6	-21.4	-170	0	0	0	0	0	116.9
15	I	49.4	Very low	43	Very low	151 Å²	151	129.9 Å²	129.9	77%	0.774	76%	0.758	S	S	*	*	S	Bend	trans	-111.9	-8.6	-160.2	-60.7	171.8	0	0	0	113.3
16	L	41.6	Very low	43.8	Very low	131 Å²	131	136.9 Å²	136.9	69%	0.686	77%	0.766	S	S	*	*	S	Bend	trans	-91.2	-5.9	176.1	-120.9	91	0	0	0	115.1	Q18 F20	L16-Q18 PolarHBondContact O-N 2.89Å; L16-F20 HydrophobicContact CD2-CE2 4.48Å
17	C	45.7	Very low	45.3	Very low	104 Å²	104	136.4 Å²	136.4	70%	0.703	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-5.5	-177.7	-96.8	0	0	0	0	114.9
18	Q	44	Very low	47.6	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-1.9	-173.8	-65.4	-124.5	-40.1	0	0	114.7	L16	L16-Q18 PolarHBondContact O-N 2.89Å
19	L	49.6	Very low	50.1	Low	149 Å²	149	130.9 Å²	130.9	78%	0.78	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	-9.7	-172	-71.3	167.6	0	0	0	115.5
20	F	51.4	Low	52.4	Low	138 Å²	138	127.8 Å²	127.8	61%	0.605	70%	0.699	S	S	*	*	S	Bend	trans	-131	115.4	175	-59.4	-81.6	0	0	0	108	L16 T22	L16-F20 HydrophobicContact CD2-CE2 4.48Å; F20-T22 PolarHBondContact O-N 3.38Å
21	N	42.9	Very low	55.1	Low	180 Å²	180	122.2 Å²	122.2	96%	0.963	67%	0.668	S	S	*	*			trans	-69.3	44	-171.6	-134.8	-2.1	0	0	0	113.4
22	T	36.7	Very low	57.3	Low	107 Å²	107	119 Å²	119	66%	0.656	65%	0.651	S	S	*	*			trans	-139.3	88.5	-166.9	53	0	0	0	0	110	F20	F20-T22 PolarHBondContact O-N 3.38Å
23	C	38.4	Very low	59.8	Low	122 Å²	122	117.9 Å²	117.9	82%	0.824	64%	0.639	S	S	*	*			trans	158.3	66.3	139.7	-87.4	0	0	0	0	112.2
24	A	40.8	Very low	62.3	Low	84 Å²	84	117.2 Å²	117.2	69%	0.694	64%	0.635	S	S	*	*			trans	-121.6	62.5	139.3	0	0	0	0	0	107.3	Y26	A24-Y26 PolarHBondContact O-N 3.31Å
25	K	47.3	Very low	64.7	Low	196 Å²	196	115.1 Å²	115.1	85%	0.852	61%	0.609	S	S	*	*			trans	-68	89.6	161.4	-122.5	-175.3	-176.1	179.8	0	104.7	Q27	K25-Q27 VanDerWaalsContact C-N 3.27Å; K25-Q27 PolarHBondContact O-N 3.34Å
26	Y	53.1	Low	67	Low	211 Å²	211	116.2 Å²	116.2	83%	0.827	61%	0.609	S	S	*	*			trans	-51.2	101.2	165.5	-93.8	-92.1	0	0	0	106	A24 T28	A24-Y26 PolarHBondContact O-N 3.31Å; Y26-T28 PolarHBondContact O-N 3.23Å
27	Q	71.4	Confident	69.6	Low	133 Å²	133	115.3 Å²	115.3	62%	0.621	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-61.9	125.7	179.2	-73.1	-177.6	-9.8	0	0	106.6	K25 N54	K25-Q27 VanDerWaalsContact C-N 3.27Å; K25-Q27 PolarHBondContact O-N 3.34Å; Q27-N54 HydrophobicContact CB-CB 4.22Å; Q27-N54 WeakPolarHBondContact CB-ND2 3.41Å; Q27-N54 WeakPolarHBondContact O-CB 3.37Å; Q27-N54 PolarHBondContact OE1-ND2 3.37Å
28	T	86.2	Confident	72.1	Confident	103 Å²	103	111.9 Å²	111.9	63%	0.632	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.9	177.6	45.6	0	0	0	0	109.4	Y26 H30	Y26-T28 PolarHBondContact O-N 3.23Å; T28-H30 PolarHBondContact O-N 3.2Å; T28-H30 PolarHBondContact O-ND1 3.43Å
29	P	92.6	Very high	74.5	Confident	6 Å²	6	107 Å²	107	4%	0.039	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-63.2	142.1	179.8	30.3	-37.9	0	0	0	109.5	V52 K53 N54 Y58 I113 T115	P29-V52 HydrophobicContact CB-CG1 4.45Å; P29-K53 VanDerWaalsContact CA-O 3.26Å; P29-K53 WeakPolarHBondContact CA-O 3.47Å; P29-N54 WeakPolarHBondContact CA-O 3.38Å; P29-N54 WeakPolarHBondContact CB-O 3.49Å; P29-Y58 HydrophobicContact CB-CD2 4.38Å; P29-Y58 HydrophobicContact CG-CD2 3.49Å; P29-Y58 VanDerWaalsContact CG-CD2 3.49Å; P29-Y58 HydrophobicContact CG-CE2 3.96Å; P29-Y58 HydrophobicContact CG-CG 3.85Å; P29-I113 HydrophobicContact CB-CD1 4.28Å; P29-I113 HydrophobicContact CB-CG2 4.3Å; P29-I113 HydrophobicContact CG-CG2 4Å; P29-T115 HydrophobicContact CG-CG2 3.22Å
30	H	92.5	Very high	76.7	Confident	81 Å²	81	100 Å²	100	38%	0.375	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.3	179.3	59.7	-83.8	0	0	0	110.3	T28 K53 N54	T28-H30 PolarHBondContact O-N 3.2Å; T28-H30 PolarHBondContact O-ND1 3.43Å; H30-K53 PolarHBondContact N-O 3.47Å; H30-K53 VanDerWaalsContact N-O 3.13Å; H30-K53 PolarHBondContact O-N 3.48Å; H30-N54 PolarHBondContact CE1-ND2 3.42Å
31	F	95.5	Very high	78.7	Confident	46 Å²	46	98.1 Å²	98.1	20%	0.202	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.9	175.7	-59.3	-64.6	0	0	0	110.3	H51 V52 C111 I113 V119 Q121	F31-H51 CarbonylContact C-O 3.53Å; F31-H51 VanDerWaalsContact CA-O 3.29Å; F31-H51 WeakPolarHBondContact CA-O 3.45Å; F31-V52 HydrophobicContact CD1-CG2 4.12Å; F31-V52 HydrophobicContact CE1-CG2 4.2Å; F31-C111 WeakPolarHBondContact CZ-O 3.26Å; F31-I113 HydrophobicContact CD1-CD1 4.11Å; F31-I113 HydrophobicContact CE1-CD1 3.56Å; F31-I113 HydrophobicContact CE1-CG1 3.75Å; F31-I113 HydrophobicContact CE2-CD1 4.48Å; F31-I113 HydrophobicContact CZ-CD1 3.78Å; F31-I113 HydrophobicContact CZ-CG1 3.8Å; F31-V119 HydrophobicContact CE2-CB 4.09Å; F31-V119 HydrophobicContact CE2-CG2 3.96Å; F31-V119 HydrophobicContact CZ-CG2 4.2Å; F31-Q121 HydrophobicContact CD1-CG 3.89Å; F31-Q121 HydrophobicContact CD2-CB 4.17Å; F31-Q121 HydrophobicContact CD2-CG 4.25Å; F31-Q121 HydrophobicContact CE1-CG 3.86Å; F31-Q121 HydrophobicContact CE2-CB 4.21Å; F31-Q121 HydrophobicContact CE2-CG 4.24Å; F31-Q121 HydrophobicContact CG-CB 4.4Å; F31-Q121 HydrophobicContact CG-CG 4.08Å; F31-Q121 HydrophobicContact CZ-CB 4.46Å; F31-Q121 HydrophobicContact CZ-CG 4.04Å
32	G	92.8	Very high	81.1	Confident	34 Å²	34	93.7 Å²	93.7	35%	0.351	50%	0.501	S	S	.	.	S	Bend	trans	-76.6	-70.6	178.6	0	0	0	0	0	111.9	H51	G32-H51 PolarHBondContact N-O 3.32Å
33	K	94.2	Very high	83.9	Confident	142 Å²	142	90.4 Å²	90.4	62%	0.617	49%	0.488	S	S	*	.	S	Bend	trans	-112	145.4	174.6	-63.9	178	-177.7	175.6	0	109
34	P	95.9	Very high	86.7	Confident	104 Å²	104	87.9 Å²	87.9	68%	0.675	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-64.1	144.2	175.5	27.7	-34.3	0	0	0	110.9
35	M	97	Very high	89.3	Confident	15 Å²	15	88.8 Å²	88.8	7%	0.074	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-60.2	141.1	166.2	-79.3	174.5	51.8	0	0	109.8	F48 T49 C50 F62 C111 Q121 A123	M35-F48 HydrophobicContact CE-CB 3.73Å; M35-F48 HydrophobicContact CE-CD1 3.86Å; M35-F48 HydrophobicContact CE-CG 3.92Å; M35-T49 VanDerWaalsContact CG-O 3.3Å; M35-T49 WeakPolarHBondContact CG-O 3.41Å; M35-C50 HydrophobicContact CG-CB 4.46Å; M35-C50 HydrophobicContact SD-CB 4.08Å; M35-F62 HydrophobicContact CE-CE1 4.25Å; M35-F62 HydrophobicContact SD-CE1 4.22Å; M35-C111 HydrophobicContact SD-CB 3.41Å; M35-C111 WeakPolarHBondContact SD-CB 3.45Å; M35-Q121 HydrophobicContact CG-CG 4.03Å; M35-Q121 HydrophobicContact SD-CG 3.73Å; M35-A123 HydrophobicContact CB-CB 3.79Å; M35-A123 HydrophobicContact CE-CB 3.89Å
36	K	97.2	Very high	91.7	Very high	174 Å²	174	80 Å²	80	76%	0.757	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-101.4	141.7	-179.5	-64.7	-176.4	178.9	-176.7	0	110.4	A123	K36-A123 WeakPolarHBondContact O-CB 3.33Å
37	D	97.4	Very high	93.8	Very high	111 Å²	111	71.9 Å²	71.9	59%	0.594	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-60.3	144.7	167.2	-63.6	-39.2	0	0	0	110.6	S124	D37-S124 WeakPolarHBondContact CA-O 3.2Å; D37-S124 PolarHBondContact OD1-N 3.25Å; D37-S124 PolarHBondContact OD1-OG 3.32Å
38	V	96.6	Very high	95	Very high	32 Å²	32	65.6 Å²	65.6	19%	0.194	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.9	-179.2	-179.4	0	0	0	0	109	V46 F48 S124 L125 T126	V38-V46 HydrophobicContact CG1-CB 3.97Å; V38-V46 HydrophobicContact CG1-CG1 3.76Å; V38-F48 HydrophobicContact CB-CE1 4.28Å; V38-F48 HydrophobicContact CB-CZ 4.4Å; V38-F48 HydrophobicContact CG2-CD1 4.23Å; V38-F48 HydrophobicContact CG2-CE1 3.78Å; V38-F48 HydrophobicContact CG2-CZ 4.32Å; V38-S124 PolarHBondContact N-O 2.87Å; V38-L125 HydrophobicContact CB-CD1 4.18Å; V38-L125 HydrophobicContact CG1-CD1 4.14Å; V38-L125 WeakPolarHBondContact O-CA 3.4Å; V38-T126 PolarHBondContact O-N 3.24Å
39	T	95.1	Very high	95.6	Very high	80 Å²	80	62.8 Å²	62.8	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.8	168.9	-58.4	0	0	0	0	108.9	T126 Q128	T39-T126 VanDerWaalsContact CA-O 3.29Å; T39-T126 WeakPolarHBondContact CA-O 3.44Å; T39-T126 HydrophobicContact CG2-CG2 4.5Å; T39-Q128 HydrophobicContact CG2-CG 3.62Å
40	A	95.9	Very high	95.8	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.8	-172	0	0	0	0	0	112.6	D44 V46 V101 L125 T126 V127 Q128	A40-D44 HydrophobicContact CB-CB 4.15Å; A40-V46 HydrophobicContact CB-CG1 3.53Å; A40-V101 HydrophobicContact CB-CG1 4.42Å; A40-L125 HydrophobicContact CB-CD1 4.2Å; A40-T126 PolarHBondContact N-O 2.92Å; A40-V127 CarbonylContact O-C 3.52Å; A40-V127 WeakPolarHBondContact O-CA 3.4Å; A40-Q128 PolarHBondContact O-N 2.94Å
41	Q	94	Very high	96	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	34%	0.342	S	S	.	.			trans	-81.1	152.4	168.9	-70.1	-176.1	-1.1	0	0	110.5	G43 D44 Q128	Q41-G43 PolarHBondContact O-N 2.95Å; Q41-D44 PolarHBondContact N-OD2 3.4Å; Q41-D44 WeakPolarHBondContact O-CB 3.48Å; Q41-D44 PolarHBondContact O-N 3.32Å; Q41-D44 VanDerWaalsContact O-N 3.11Å; Q41-Q128 HydrophobicContact CG-CB 4.32Å; Q41-Q128 HydrophobicContact CG-CG 4.44Å
42	P	93.8	Very high	95.9	Very high	88 Å²	88	59.4 Å²	59.4	57%	0.571	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	126.1	168.9	-24.5	34.3	0	0	0	110.8	V101 V127	P42-V101 CarbonylContact C-O 3.59Å; P42-V101 VanDerWaalsContact CA-O 3.29Å; P42-V101 WeakPolarHBondContact CA-O 3.27Å; P42-V127 HydrophobicContact CG-CG1 4.02Å
43	G	94.5	Very high	96	Very high	37 Å²	37	62 Å²	62	38%	0.381	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-15.7	-177.4	0	0	0	0	0	115.3	Q41 N100 V101	Q41-G43 PolarHBondContact O-N 2.95Å; G43-N100 WeakPolarHBondContact CA-OD1 3.41Å; G43-V101 PolarHBondContact N-O 2.72Å
44	D	96.3	Very high	95.9	Very high	70 Å²	70	58.4 Å²	58.4	37%	0.374	32%	0.323	S	S	.	.			trans	-65.4	155.6	178.6	-73.3	-16.3	0	0	0	112.1	A40 Q41 V46 N100 V101	A40-D44 HydrophobicContact CB-CB 4.15Å; Q41-D44 PolarHBondContact N-OD2 3.4Å; Q41-D44 WeakPolarHBondContact O-CB 3.48Å; Q41-D44 PolarHBondContact O-N 3.32Å; Q41-D44 VanDerWaalsContact O-N 3.11Å; D44-V46 HydrophobicContact CB-CG1 4.43Å; D44-N100 PolarHBondContact O-N 3.4Å; D44-V101 WeakPolarHBondContact O-CG2 3.48Å; D44-V101 PolarHBondContact O-N 3.48Å
45	N	96.9	Very high	95.7	Very high	102 Å²	102	54.9 Å²	54.9	55%	0.545	30%	0.298	S	S	.	.			trans	-103	124.5	165.3	-62.4	-27	0	0	0	108.4	I98 N99 N100	N45-I98 WeakPolarHBondContact CA-O 3.3Å; N45-N99 WeakPolarHBondContact OD1-CA 3.48Å; N45-N100 PolarHBondContact OD1-N 3.46Å
46	V	97.3	Very high	95.4	Very high	12 Å²	12	57.6 Å²	57.6	7%	0.073	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.3	-176.5	-60.6	0	0	0	0	111.8	V38 A40 D44 W97 I98 V101 L125	V38-V46 HydrophobicContact CG1-CB 3.97Å; V38-V46 HydrophobicContact CG1-CG1 3.76Å; A40-V46 HydrophobicContact CB-CG1 3.53Å; D44-V46 HydrophobicContact CB-CG1 4.43Å; V46-W97 CarbonylContact O-C 3.56Å; V46-W97 WeakPolarHBondContact O-CA 3.45Å; V46-I98 HydrophobicContact CG2-CB 3.77Å; V46-I98 HydrophobicContact CG2-CD1 4.26Å; V46-I98 HydrophobicContact CG2-CG1 4.3Å; V46-I98 PolarHBondContact N-O 2.92Å; V46-I98 PolarHBondContact O-N 2.81Å; V46-V101 HydrophobicContact CB-CG2 4.47Å; V46-V101 HydrophobicContact CG1-CG2 4.12Å; V46-V101 HydrophobicContact CG2-CG2 3.63Å; V46-L125 HydrophobicContact CG1-CD1 4.49Å; V46-L125 HydrophobicContact CG2-CD1 4.05Å; V46-L125 HydrophobicContact CG2-CD2 4.32Å
47	S	96.8	Very high	95.1	Very high	40 Å²	40	59.6 Å²	59.6	28%	0.28	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.8	177.2	65.1	0	0	0	0	113.2	L96	S47-L96 CarbonylContact C-O 3.6Å; S47-L96 WeakPolarHBondContact CA-O 3.48Å
48	F	97.5	Very high	94.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.2	165.2	-73.9	-64.7	0	0	0	110.3	M35 V38 F62 I95 L96 I98 Y109 A123 L125	M35-F48 HydrophobicContact CE-CB 3.73Å; M35-F48 HydrophobicContact CE-CD1 3.86Å; M35-F48 HydrophobicContact CE-CG 3.92Å; V38-F48 HydrophobicContact CB-CE1 4.28Å; V38-F48 HydrophobicContact CB-CZ 4.4Å; V38-F48 HydrophobicContact CG2-CD1 4.23Å; V38-F48 HydrophobicContact CG2-CE1 3.78Å; V38-F48 HydrophobicContact CG2-CZ 4.32Å; F48-F62 HydrophobicContact CB-CE1 4.29Å; F48-I95 WeakPolarHBondContact O-CA 3.24Å; F48-L96 HydrophobicContact CB-CB 4.45Å; F48-L96 PolarHBondContact N-O 3.46Å; F48-L96 PolarHBondContact O-N 3.03Å; F48-I98 HydrophobicContact CD2-CD1 4.08Å; F48-I98 HydrophobicContact CE2-CD1 3.88Å; F48-Y109 HydrophobicContact CD2-CD1 4.37Å; F48-Y109 HydrophobicContact CD2-CD2 4.26Å; F48-Y109 AromaticContact CD2-CG 3.92Å; F48-Y109 HydrophobicContact CD2-CG 3.92Å; F48-Y109 HydrophobicContact CE2-CD1 4.25Å; F48-Y109 AromaticContact CE2-CD2 3.41Å; F48-Y109 HydrophobicContact CE2-CD2 3.41Å; F48-Y109 VanDerWaalsContact CE2-CD2 3.41Å; F48-Y109 HydrophobicContact CE2-CE2 4.06Å; F48-Y109 AromaticContact CE2-CG 3.54Å; F48-Y109 HydrophobicContact CE2-CG 3.54Å; F48-Y109 AromaticContact CZ-CD2 3.93Å; F48-Y109 HydrophobicContact CZ-CD2 3.93Å; F48-Y109 HydrophobicContact CZ-CG 4.31Å; F48-A123 HydrophobicContact CD1-CB 3.79Å; F48-A123 HydrophobicContact CE1-CB 3.54Å; F48-L125 HydrophobicContact CE2-CB 4.16Å; F48-L125 HydrophobicContact CZ-CB 3.87Å
49	T	97.2	Very high	94.8	Very high	43 Å²	43	58.5 Å²	58.5	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.5	179.7	-54.7	0	0	0	0	111.2	M35 H51 A93 I95	M35-T49 VanDerWaalsContact CG-O 3.3Å; M35-T49 WeakPolarHBondContact CG-O 3.41Å; T49-H51 WeakPolarHBondContact CG2-NE2 3.44Å; T49-A93 HydrophobicContact CG2-CB 4.11Å; T49-I95 HydrophobicContact CG2-CG1 4.04Å
50	C	97	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	104.5	175	-176.6	0	0	0	0	109.9	M35 F62 W94 C111 Q121	M35-C50 HydrophobicContact CG-CB 4.46Å; M35-C50 HydrophobicContact SD-CB 4.08Å; C50-F62 HydrophobicContact CB-CE1 4.18Å; C50-F62 HydrophobicContact CB-CE2 4.48Å; C50-F62 HydrophobicContact CB-CZ 3.65Å; C50-W94 HydrophobicContact CB-CB 4.29Å; C50-W94 PolarHBondContact N-O 2.95Å; C50-W94 PolarHBondContact O-N 2.95Å; C50-C111 HydrophobicContact CB-CB 3.58Å; C50-C111 WeakPolarHBondContact CB-SG 3.4Å; C50-C111 WeakPolarHBondContact SG-CB 3.4Å; C50-C111 CovalentContact SG-SG 2.03Å; C50-C111 PolarHBondContact SG-SG 2.9Å; C50-Q121 PolarHBondContact SG-NE2 2.68Å
51	H	96.6	Very high	94.9	Very high	59 Å²	59	54.8 Å²	54.8	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.9	175.8	-67.1	-75.8	0	0	0	110.3	F31 G32 T49 E92	F31-H51 CarbonylContact C-O 3.53Å; F31-H51 VanDerWaalsContact CA-O 3.29Å; F31-H51 WeakPolarHBondContact CA-O 3.45Å; G32-H51 PolarHBondContact N-O 3.32Å; T49-H51 WeakPolarHBondContact CG2-NE2 3.44Å; H51-E92 CarbonylContact C-O 3.48Å; H51-E92 VanDerWaalsContact CA-O 3.3Å; H51-E92 WeakPolarHBondContact CA-O 3.35Å
52	V	94.6	Very high	95.1	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.3	-178.7	-174.8	0	0	0	0	110	P29 F31 L55 V60 E92 I113	P29-V52 HydrophobicContact CB-CG1 4.45Å; F31-V52 HydrophobicContact CD1-CG2 4.12Å; F31-V52 HydrophobicContact CE1-CG2 4.2Å; V52-L55 HydrophobicContact CG1-CB 4.16Å; V52-L55 HydrophobicContact CG1-CD1 3.93Å; V52-V60 HydrophobicContact CG2-CG2 4.03Å; V52-E92 PolarHBondContact N-O 3.48Å; V52-I113 HydrophobicContact CB-CD1 4.42Å; V52-I113 HydrophobicContact CG1-CD1 3.5Å; V52-I113 HydrophobicContact CG1-CG1 4.44Å; V52-I113 HydrophobicContact CG2-CD1 4.03Å; V52-I113 HydrophobicContact CG2-CG1 4.48Å
53	K	93.8	Very high	95.2	Very high	89 Å²	89	46.5 Å²	46.5	39%	0.387	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.6	174.9	-67.2	-174	173.4	-173.4	0	110.3	P29 H30 L55	P29-K53 VanDerWaalsContact CA-O 3.26Å; P29-K53 WeakPolarHBondContact CA-O 3.47Å; H30-K53 PolarHBondContact N-O 3.47Å; H30-K53 VanDerWaalsContact N-O 3.13Å; H30-K53 PolarHBondContact O-N 3.48Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 3.44Å
54	N	92.1	Very high	95.2	Very high	66 Å²	66	46 Å²	46	35%	0.353	24%	0.239	S	C	.	.	S	Bend	trans	54.7	38.9	179.3	-58.2	-36.8	0	0	0	114.3	Q27 P29 H30 G56	Q27-N54 HydrophobicContact CB-CB 4.22Å; Q27-N54 WeakPolarHBondContact CB-ND2 3.41Å; Q27-N54 WeakPolarHBondContact O-CB 3.37Å; Q27-N54 PolarHBondContact OE1-ND2 3.37Å; P29-N54 WeakPolarHBondContact CA-O 3.38Å; P29-N54 WeakPolarHBondContact CB-O 3.49Å; H30-N54 PolarHBondContact CE1-ND2 3.42Å; N54-G56 PolarHBondContact O-N 2.94Å
55	L	92	Very high	95.1	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.162	23%	0.232	C	C	.	.			trans	-55.2	-38.3	-177.4	-176.5	63.2	0	0	0	112.6	V52 K53 R57 Y58 V60 W94 I113	V52-L55 HydrophobicContact CG1-CB 4.16Å; V52-L55 HydrophobicContact CG1-CD1 3.93Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 3.44Å; L55-R57 PolarHBondContact O-N 3.32Å; L55-Y58 WeakPolarHBondContact CD1-O 3.27Å; L55-Y58 WeakPolarHBondContact CG-O 3.31Å; L55-Y58 VanDerWaalsContact O-CB 3.31Å; L55-Y58 WeakPolarHBondContact O-CB 3.41Å; L55-Y58 WeakPolarHBondContact O-CD2 3.42Å; L55-Y58 PolarHBondContact O-N 2.92Å; L55-V60 HydrophobicContact CD1-CG2 3.62Å; L55-V60 HydrophobicContact CD2-CG2 4.05Å; L55-W94 HydrophobicContact CD2-CZ2 3.86Å; L55-I113 HydrophobicContact CD1-CG2 4.23Å
56	G	90.1	Very high	94.8	Very high	71 Å²	71	46.8 Å²	46.8	73%	0.732	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	-123.4	177.5	0	0	0	0	0	112.1	N54	N54-G56 PolarHBondContact O-N 2.94Å
57	R	91.2	Very high	94.5	Very high	217 Å²	217	50.9 Å²	50.9	82%	0.819	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.3	176.8	69.4	179.2	-178.6	-178.1	0.1	114.3	L55	L55-R57 PolarHBondContact O-N 3.32Å
58	Y	94.3	Very high	94.3	Very high	68 Å²	68	54.7 Å²	54.7	27%	0.267	29%	0.288	S	S	.	.			trans	-76	160.6	178.6	-60.5	-81.6	0	0	0	109.9	P29 L55 I113 N114 T115	P29-Y58 HydrophobicContact CB-CD2 4.38Å; P29-Y58 HydrophobicContact CG-CD2 3.49Å; P29-Y58 VanDerWaalsContact CG-CD2 3.49Å; P29-Y58 HydrophobicContact CG-CE2 3.96Å; P29-Y58 HydrophobicContact CG-CG 3.85Å; L55-Y58 WeakPolarHBondContact CD1-O 3.27Å; L55-Y58 WeakPolarHBondContact CG-O 3.31Å; L55-Y58 VanDerWaalsContact O-CB 3.31Å; L55-Y58 WeakPolarHBondContact O-CB 3.41Å; L55-Y58 WeakPolarHBondContact O-CD2 3.42Å; L55-Y58 PolarHBondContact O-N 2.92Å; Y58-I113 HydrophobicContact CG-CG2 4.49Å; Y58-N114 VanDerWaalsContact CA-OD1 3.24Å; Y58-N114 WeakPolarHBondContact CA-OD1 3.47Å; Y58-N114 VanDerWaalsContact CB-OD1 3.29Å; Y58-N114 WeakPolarHBondContact CB-OD1 3.26Å; Y58-T115 HydrophobicContact CD1-CG2 3.9Å; Y58-T115 HydrophobicContact CE1-CG2 3.97Å; Y58-T115 HydrophobicContact CG-CG2 4.21Å
59	L	94.6	Very high	94.1	Very high	51 Å²	51	57.1 Å²	57.1	27%	0.267	30%	0.3	S	S	.	.			trans	-120	144.3	-174.9	-53.8	177.5	0	0	0	109.5	W73 Q74 I113 N114	L59-W73 HydrophobicContact CB-CZ2 4.43Å; L59-W73 HydrophobicContact CD1-CZ2 4Å; L59-Q74 VanDerWaalsContact CB-OE1 3.32Å; L59-Q74 HydrophobicContact CD2-CB 4.45Å; L59-Q74 HydrophobicContact CD2-CG 4.06Å; L59-I113 WeakPolarHBondContact O-CA 3.35Å; L59-N114 PolarHBondContact N-OD1 3.3Å; L59-N114 PolarHBondContact O-N 3.29Å; L59-N114 VanDerWaalsContact O-N 3.17Å; L59-N114 PolarHBondContact O-OD1 2.8Å
60	V	96.2	Very high	94	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.6	177.4	-177.8	0	0	0	0	109.2	V52 L55 Q74 W94 C111 Q112	V52-V60 HydrophobicContact CG2-CG2 4.03Å; L55-V60 HydrophobicContact CD1-CG2 3.62Å; L55-V60 HydrophobicContact CD2-CG2 4.05Å; V60-Q74 WeakPolarHBondContact O-CA 3.46Å; V60-Q74 PolarHBondContact O-N 3.18Å; V60-W94 HydrophobicContact CB-CD2 3.89Å; V60-W94 HydrophobicContact CB-CE3 4.34Å; V60-W94 HydrophobicContact CB-CG 4.13Å; V60-W94 HydrophobicContact CB-CZ2 4.41Å; V60-W94 HydrophobicContact CG1-CB 4.22Å; V60-W94 HydrophobicContact CG1-CD2 4.15Å; V60-W94 HydrophobicContact CG1-CG 3.96Å; V60-W94 HydrophobicContact CG2-CD2 4.11Å; V60-W94 HydrophobicContact CG2-CG 4.14Å; V60-W94 HydrophobicContact CG2-CZ2 4.3Å; V60-C111 WeakPolarHBondContact CG1-SG 3.5Å; V60-Q112 WeakPolarHBondContact CA-O 3.47Å
61	A	96.4	Very high	93.9	Very high	2 Å²	2	58 Å²	58	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.2	174.6	0	0	0	0	0	110.8	L70 S72 W73 C111 Q112	A61-L70 HydrophobicContact CB-CD1 4.3Å; A61-S72 VanDerWaalsContact CA-O 3.25Å; A61-S72 WeakPolarHBondContact CA-O 3.44Å; A61-S72 VanDerWaalsContact CB-O 3.24Å; A61-S72 WeakPolarHBondContact CB-O 3.45Å; A61-W73 HydrophobicContact CB-CD2 4.33Å; A61-W73 HydrophobicContact CB-CE3 3.66Å; A61-W73 HydrophobicContact CB-CZ3 4.2Å; A61-C111 WeakPolarHBondContact O-CA 3.41Å; A61-Q112 HydrophobicContact CB-CG 3.76Å; A61-Q112 PolarHBondContact N-O 3.46Å; A61-Q112 PolarHBondContact O-N 2.7Å
62	F	96.9	Very high	93.8	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.4	168.2	-77.5	-86.5	0	0	0	110.2	M35 F48 C50 I71 S72 L87 W94 L96 M110 C111	M35-F62 HydrophobicContact CE-CE1 4.25Å; M35-F62 HydrophobicContact SD-CE1 4.22Å; F48-F62 HydrophobicContact CB-CE1 4.29Å; C50-F62 HydrophobicContact CB-CE1 4.18Å; C50-F62 HydrophobicContact CB-CE2 4.48Å; C50-F62 HydrophobicContact CB-CZ 3.65Å; F62-I71 HydrophobicContact CB-CB 4.21Å; F62-I71 WeakPolarHBondContact O-CA 3.44Å; F62-I71 WeakPolarHBondContact O-CB 3.39Å; F62-I71 PolarHBondContact O-N 3.01Å; F62-S72 PolarHBondContact N-O 3.22Å; F62-S72 VanDerWaalsContact N-O 3.12Å; F62-S72 PolarHBondContact N-OG 3.3Å; F62-S72 PolarHBondContact O-N 3.19Å; F62-S72 VanDerWaalsContact O-N 3.16Å; F62-L87 HydrophobicContact CD2-CD1 3.72Å; F62-L87 HydrophobicContact CE2-CD1 3.71Å; F62-W94 HydrophobicContact CE2-CB 4.05Å; F62-W94 HydrophobicContact CZ-CB 4.47Å; F62-L96 HydrophobicContact CB-CD2 3.99Å; F62-L96 HydrophobicContact CD1-CB 3.84Å; F62-L96 HydrophobicContact CD1-CD2 3.81Å; F62-L96 HydrophobicContact CD1-CG 4.42Å; F62-L96 HydrophobicContact CD2-CB 3.94Å; F62-L96 HydrophobicContact CE1-CB 3.78Å; F62-L96 HydrophobicContact CE1-CD2 4.46Å; F62-L96 HydrophobicContact CE2-CB 3.88Å; F62-L96 HydrophobicContact CG-CB 3.9Å; F62-L96 HydrophobicContact CG-CD2 3.96Å; F62-L96 HydrophobicContact CG-CG 4.38Å; F62-L96 HydrophobicContact CZ-CB 3.79Å; F62-M110 CarbonylContact C-O 3.55Å; F62-M110 VanDerWaalsContact CA-O 3.3Å; F62-M110 WeakPolarHBondContact CA-O 3.34Å; F62-C111 HydrophobicContact CD1-CB 4.18Å; F62-C111 HydrophobicContact CE1-CB 3.85Å; F62-C111 HydrophobicContact CZ-CB 4.32Å
63	V	96	Very high	93.7	Very high	12 Å²	12	59.6 Å²	59.6	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.4	-177.6	179.3	0	0	0	0	108.7	T68 M69 L70 M110 Q112	V63-T68 HydrophobicContact CG1-CG2 4.33Å; V63-M69 CarbonylContact C-O 3.53Å; V63-M69 WeakPolarHBondContact CA-O 3.13Å; V63-L70 HydrophobicContact CG2-CD1 3.83Å; V63-M110 HydrophobicContact CB-CB 4.47Å; V63-M110 HydrophobicContact CB-CE 3.96Å; V63-M110 HydrophobicContact CG1-CE 4.16Å; V63-M110 HydrophobicContact CG2-CE 4.38Å; V63-M110 PolarHBondContact N-O 3.03Å; V63-M110 WeakPolarHBondContact O-CB 3.48Å; V63-M110 PolarHBondContact O-N 3.38Å; V63-Q112 HydrophobicContact CG2-CG 4.44Å
64	R	95.3	Very high	93.6	Very high	26 Å²	26	57.3 Å²	57.3	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.5	162.8	-174.9	176.1	179.1	169.8	2	107.8	E66 T68 M69 I71 S104 E106 Y109	R64-E66 PolarHBondContact NE-O 2.96Å; R64-T68 CarbonylContact O-C 3.55Å; R64-T68 VanDerWaalsContact O-CA 3.26Å; R64-T68 WeakPolarHBondContact O-CA 3.41Å; R64-M69 HydrophobicContact CB-CB 4.33Å; R64-M69 HydrophobicContact CB-CE 4.4Å; R64-M69 PolarHBondContact N-O 2.69Å; R64-M69 PolarHBondContact O-N 3.06Å; R64-I71 HydrophobicContact CB-CD1 4.16Å; R64-S104 PolarHBondContact NH1-O 3.22Å; R64-S104 PolarHBondContact NH2-O 3.46Å; R64-E106 PolarHBondContact NH2-O 3.48Å; R64-Y109 HydrophobicContact CB-CE1 4.48Å
65	T	94.1	Very high	93.4	Very high	36 Å²	36	60.1 Å²	60.1	22%	0.221	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-41.6	-175.4	54.4	0	0	0	0	112.2	P67 T68 I108 M110	T65-P67 CarbonylContact O-C 3.54Å; T65-T68 VanDerWaalsContact O-CA 3.24Å; T65-T68 WeakPolarHBondContact O-CA 3.49Å; T65-T68 PolarHBondContact O-N 3.44Å; T65-T68 VanDerWaalsContact O-N 3.15Å; T65-T68 PolarHBondContact O-OG1 3.36Å; T65-I108 HydrophobicContact CG2-CB 4.39Å; T65-I108 HydrophobicContact CG2-CG2 4.02Å; T65-I108 PolarHBondContact N-O 3.21Å; T65-I108 VanDerWaalsContact OG1-CB 3.31Å; T65-I108 WeakPolarHBondContact OG1-CB 3.23Å; T65-I108 PolarHBondContact OG1-O 2.95Å; T65-M110 HydrophobicContact CG2-CB 4.14Å
66	E	91.7	Very high	93.4	Very high	153 Å²	153	65.6 Å²	65.6	72%	0.715	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.2	121.3	-177.7	-67	-172.7	-178.1	0	0	112.2	R64	R64-E66 PolarHBondContact NE-O 2.96Å
67	P	90.8	Very high	93.4	Very high	97 Å²	97	65.8 Å²	65.8	63%	0.63	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	cis	-58.3	147.7	-19.5	29.2	-35	0	0	0	110.4	T65 M69	T65-P67 CarbonylContact O-C 3.54Å; P67-M69 PolarHBondContact O-N 3.46Å; P67-M69 VanDerWaalsContact O-N 3.1Å
68	T	92.6	Very high	93.4	Very high	120 Å²	120	60.7 Å²	60.7	74%	0.736	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	116	-177.9	-51.2	0	0	0	0	110.5	V63 R64 T65	V63-T68 HydrophobicContact CG1-CG2 4.33Å; R64-T68 CarbonylContact O-C 3.55Å; R64-T68 VanDerWaalsContact O-CA 3.26Å; R64-T68 WeakPolarHBondContact O-CA 3.41Å; T65-T68 VanDerWaalsContact O-CA 3.24Å; T65-T68 WeakPolarHBondContact O-CA 3.49Å; T65-T68 PolarHBondContact O-N 3.44Å; T65-T68 VanDerWaalsContact O-N 3.15Å; T65-T68 PolarHBondContact O-OG1 3.36Å
69	M	93.3	Very high	92.9	Very high	53 Å²	53	57.9 Å²	57.9	26%	0.261	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122.6	-176.7	-179.5	-178.9	65.4	0	0	109.9	V63 R64 P67 I71 Y85	V63-M69 CarbonylContact C-O 3.53Å; V63-M69 WeakPolarHBondContact CA-O 3.13Å; R64-M69 HydrophobicContact CB-CB 4.33Å; R64-M69 HydrophobicContact CB-CE 4.4Å; R64-M69 PolarHBondContact N-O 2.69Å; R64-M69 PolarHBondContact O-N 3.06Å; P67-M69 PolarHBondContact O-N 3.46Å; P67-M69 VanDerWaalsContact O-N 3.1Å; M69-I71 HydrophobicContact CE-CG1 4.05Å; M69-I71 PolarHBondContact O-N 3.29Å; M69-Y85 HydrophobicContact CE-CE2 4.07Å
70	L	94.8	Very high	92.1	Very high	62 Å²	62	61 Å²	61	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117	169.7	-177.8	65	0	0	0	109	A61 V63 S72 F78	A61-L70 HydrophobicContact CB-CD1 4.3Å; V63-L70 HydrophobicContact CG2-CD1 3.83Å; L70-S72 WeakPolarHBondContact CD1-O 3.38Å; L70-F78 HydrophobicContact CB-CB 4.49Å; L70-F78 HydrophobicContact CD2-CB 4.28Å; L70-F78 HydrophobicContact CD2-CD1 4.23Å; L70-F78 HydrophobicContact CD2-CD2 4.03Å; L70-F78 HydrophobicContact CD2-CE2 4.46Å; L70-F78 HydrophobicContact CD2-CG 3.91Å; L70-F78 HydrophobicContact CG-CB 4.17Å; L70-F78 HydrophobicContact CG-CD2 4.35Å; L70-F78 HydrophobicContact CG-CG 4.27Å; L70-F78 WeakPolarHBondContact O-CB 3.38Å
71	I	94.9	Very high	91.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-50.1	-179.4	-59.2	170.4	0	0	0	109.6	F62 R64 M69 M77 F78 A79 Y85 L96 Y109	F62-I71 HydrophobicContact CB-CB 4.21Å; F62-I71 WeakPolarHBondContact O-CA 3.44Å; F62-I71 WeakPolarHBondContact O-CB 3.39Å; F62-I71 PolarHBondContact O-N 3.01Å; R64-I71 HydrophobicContact CB-CD1 4.16Å; M69-I71 HydrophobicContact CE-CG1 4.05Å; M69-I71 PolarHBondContact O-N 3.29Å; I71-M77 HydrophobicContact CG2-CE 3.95Å; I71-F78 PolarHBondContact O-N 2.96Å; I71-A79 HydrophobicContact CG2-CB 4.34Å; I71-A79 PolarHBondContact O-N 2.92Å; I71-Y85 HydrophobicContact CD1-CE1 4.26Å; I71-Y85 HydrophobicContact CG2-CD1 3.84Å; I71-Y85 HydrophobicContact CG2-CD2 4.39Å; I71-Y85 HydrophobicContact CG2-CE1 4.44Å; I71-Y85 HydrophobicContact CG2-CG 3.81Å; I71-L96 HydrophobicContact CD1-CD2 3.87Å; I71-L96 HydrophobicContact CG2-CD1 3.65Å; I71-L96 HydrophobicContact CG2-CD2 4.33Å; I71-Y109 HydrophobicContact CD1-CD1 3.53Å; I71-Y109 HydrophobicContact CD1-CE1 3.59Å
72	S	94.6	Very high	90	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.007	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.7	179.3	71.6	0	0	0	0	112.1	A61 F62 L70 K76	A61-S72 VanDerWaalsContact CA-O 3.25Å; A61-S72 WeakPolarHBondContact CA-O 3.44Å; A61-S72 VanDerWaalsContact CB-O 3.24Å; A61-S72 WeakPolarHBondContact CB-O 3.45Å; F62-S72 PolarHBondContact N-O 3.22Å; F62-S72 VanDerWaalsContact N-O 3.12Å; F62-S72 PolarHBondContact N-OG 3.3Å; F62-S72 PolarHBondContact O-N 3.19Å; F62-S72 VanDerWaalsContact O-N 3.16Å; L70-S72 WeakPolarHBondContact CD1-O 3.38Å; S72-K76 CarbonylContact C-O 3.52Å; S72-K76 WeakPolarHBondContact CA-O 3.31Å; S72-K76 WeakPolarHBondContact CB-O 3.35Å
73	W	92.8	Very high	89.5	Confident	94 Å²	94	83.9 Å²	83.9	36%	0.356	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112.6	169.9	-177.6	-80	0	0	0	108.5	L59 A61 H75 K76 F78 N114	L59-W73 HydrophobicContact CB-CZ2 4.43Å; L59-W73 HydrophobicContact CD1-CZ2 4Å; A61-W73 HydrophobicContact CB-CD2 4.33Å; A61-W73 HydrophobicContact CB-CE3 3.66Å; A61-W73 HydrophobicContact CB-CZ3 4.2Å; W73-H75 PolarHBondContact O-N 2.85Å; W73-K76 PolarHBondContact N-O 3.03Å; W73-K76 WeakPolarHBondContact O-CB 3.5Å; W73-K76 PolarHBondContact O-N 2.76Å; W73-K76 VanDerWaalsContact O-N 3.08Å; W73-F78 HydrophobicContact CB-CD2 4.22Å; W73-F78 HydrophobicContact CB-CE2 3.69Å; W73-N114 HydrophobicContact CH2-CB 4.03Å; W73-N114 HydrophobicContact CZ2-CB 4.36Å
74	Q	90.1	Very high	89.3	Confident	42 Å²	42	84.1 Å²	84.1	20%	0.196	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-131.6	-165.3	-153.8	75.2	-11.8	0	0	109.7	L59 V60 K76 L87 W94	L59-Q74 VanDerWaalsContact CB-OE1 3.32Å; L59-Q74 HydrophobicContact CD2-CB 4.45Å; L59-Q74 HydrophobicContact CD2-CG 4.06Å; V60-Q74 WeakPolarHBondContact O-CA 3.46Å; V60-Q74 PolarHBondContact O-N 3.18Å; Q74-K76 VanDerWaalsContact C-N 3.27Å; Q74-K76 PolarHBondContact O-N 2.93Å; Q74-L87 WeakPolarHBondContact O-CD2 3.35Å; Q74-W94 HydrophobicContact CG-CH2 3.92Å
75	H	88.8	Confident	89.3	Confident	124 Å²	124	83.6 Å²	83.6	57%	0.574	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	2	178.7	-57.5	99.3	0	0	0	114.5	W73 N89 W94	W73-H75 PolarHBondContact O-N 2.85Å; H75-N89 PolarHBondContact NE2-ND2 3.09Å; H75-W94 AromaticContact CE1-CH2 3.77Å; H75-W94 AromaticContact NE2-CH2 3.77Å
76	K	91.2	Very high	89.3	Confident	146 Å²	146	84.2 Å²	84.2	64%	0.635	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.6	-177.3	-65.5	-177.5	-180	-178.7	0	110.8	S72 W73 Q74 F78	S72-K76 CarbonylContact C-O 3.52Å; S72-K76 WeakPolarHBondContact CA-O 3.31Å; S72-K76 WeakPolarHBondContact CB-O 3.35Å; W73-K76 PolarHBondContact N-O 3.03Å; W73-K76 WeakPolarHBondContact O-CB 3.5Å; W73-K76 PolarHBondContact O-N 2.76Å; W73-K76 VanDerWaalsContact O-N 3.08Å; Q74-K76 VanDerWaalsContact C-N 3.27Å; Q74-K76 PolarHBondContact O-N 2.93Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.72Å; K76-F78 HydrophobicContact CB-CZ 4.39Å
77	M	91.5	Very high	89.3	Confident	75 Å²	75	78.8 Å²	78.8	37%	0.369	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.2	175.3	-60.1	-56.9	-65.4	0	0	111	I71 Y85 L87	I71-M77 HydrophobicContact CG2-CE 3.95Å; M77-Y85 VanDerWaalsContact CE-CB 3.4Å; M77-L87 HydrophobicContact SD-CB 3.8Å
78	F	90.7	Very high	89.5	Confident	110 Å²	110	77.7 Å²	77.7	48%	0.482	38%	0.38	S	S	.	.			trans	-121	-13.3	-179.3	-72.3	-95	0	0	0	113.4	L70 I71 W73 K76 S80	L70-F78 HydrophobicContact CB-CB 4.49Å; L70-F78 HydrophobicContact CD2-CB 4.28Å; L70-F78 HydrophobicContact CD2-CD1 4.23Å; L70-F78 HydrophobicContact CD2-CD2 4.03Å; L70-F78 HydrophobicContact CD2-CE2 4.46Å; L70-F78 HydrophobicContact CD2-CG 3.91Å; L70-F78 HydrophobicContact CG-CB 4.17Å; L70-F78 HydrophobicContact CG-CD2 4.35Å; L70-F78 HydrophobicContact CG-CG 4.27Å; L70-F78 WeakPolarHBondContact O-CB 3.38Å; I71-F78 PolarHBondContact O-N 2.96Å; W73-F78 HydrophobicContact CB-CD2 4.22Å; W73-F78 HydrophobicContact CB-CE2 3.69Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.72Å; K76-F78 HydrophobicContact CB-CZ 4.39Å; F78-S80 PolarHBondContact O-N 2.95Å
79	A	84.4	Confident	89.4	Confident	10 Å²	10	74.6 Å²	74.6	8%	0.083	36%	0.359	C	S	.	.			trans	-62	133.1	177.8	0	0	0	0	0	112	I71 K81 Y85	I71-A79 HydrophobicContact CG2-CB 4.34Å; I71-A79 PolarHBondContact O-N 2.92Å; A79-K81 VanDerWaalsContact C-N 3.27Å; A79-K81 PolarHBondContact O-N 3.01Å; A79-Y85 HydrophobicContact CB-CD2 3.34Å; A79-Y85 HydrophobicContact CB-CE2 3.78Å; A79-Y85 HydrophobicContact CB-CG 4.17Å
80	S	76.6	Confident	89.3	Confident	115 Å²	115	76.8 Å²	76.8	80%	0.804	37%	0.372	S	S	*	.	S	Bend	trans	-60.4	-33.6	-176.9	-52.8	0	0	0	0	113.4	F78 R82	F78-S80 PolarHBondContact O-N 2.95Å; S80-R82 PolarHBondContact O-N 3.3Å
81	K	77.9	Confident	88.9	Confident	109 Å²	109	76.6 Å²	76.6	47%	0.474	38%	0.384	S	S	.	.			trans	-83.5	86.2	177.3	-66.1	-176.6	-179.5	176.1	0	110.1	A79 N83 K84	A79-K81 VanDerWaalsContact C-N 3.27Å; A79-K81 PolarHBondContact O-N 3.01Å; K81-N83 PolarHBondContact O-N 3.32Å; K81-N83 VanDerWaalsContact O-N 3.08Å; K81-K84 HydrophobicContact CB-CB 3.58Å; K81-K84 HydrophobicContact CB-CG 4.45Å; K81-K84 HydrophobicContact CD-CB 4.29Å; K81-K84 HydrophobicContact CD-CG 4.36Å; K81-K84 WeakPolarHBondContact O-CB 3.42Å; K81-K84 PolarHBondContact O-N 3.36Å
82	R	71.7	Confident	88.6	Confident	227 Å²	227	81.8 Å²	81.8	86%	0.857	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.9	-172.8	-67.4	-171.2	-176.1	-174.3	2.1	115.8	S80	S80-R82 PolarHBondContact O-N 3.3Å
83	N	85.3	Confident	88.6	Confident	150 Å²	150	82.4 Å²	82.4	80%	0.802	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-7.2	-179.5	-63.4	-11	0	0	0	113.6	K81 N99	K81-N83 PolarHBondContact O-N 3.32Å; K81-N83 VanDerWaalsContact O-N 3.08Å; N83-N99 PolarHBondContact O-ND2 3.49Å
84	K	93.2	Very high	88.8	Confident	17 Å²	17	78 Å²	78	7%	0.074	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-37.5	-174.8	-171	74.5	-174.3	-164.5	0	111.9	K81 I98 N99 N100 D102 D105	K81-K84 HydrophobicContact CB-CB 3.58Å; K81-K84 HydrophobicContact CB-CG 4.45Å; K81-K84 HydrophobicContact CD-CB 4.29Å; K81-K84 HydrophobicContact CD-CG 4.36Å; K81-K84 WeakPolarHBondContact O-CB 3.42Å; K81-K84 PolarHBondContact O-N 3.36Å; K84-I98 HydrophobicContact CG-CG2 4.45Å; K84-I98 CarbonylContact O-C 3.47Å; K84-I98 WeakPolarHBondContact O-CA 3.43Å; K84-N99 VanDerWaalsContact CD-O 3.23Å; K84-N99 WeakPolarHBondContact CD-O 3.23Å; K84-N99 WeakPolarHBondContact CE-O 3.39Å; K84-N99 PolarHBondContact NZ-O 3.38Å; K84-N99 PolarHBondContact O-N 3.37Å; K84-N100 PolarHBondContact NZ-O 2.99Å; K84-D102 IonicContact NZ-OD2 2.87Å; K84-D102 PolarHBondContact NZ-OD2 3.48Å; K84-D105 WeakPolarHBondContact CE-OD1 3.31Å; K84-D105 WeakPolarHBondContact CE-OD2 3.34Å; K84-D105 IonicContact NZ-OD1 2.6Å; K84-D105 IonicContact NZ-OD2 3.52Å; K84-D105 PolarHBondContact NZ-OD2 2.88Å
85	Y	94.4	Very high	89.1	Confident	15 Å²	15	77 Å²	77	6%	0.059	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136	-175	-58.2	-81.4	0	0	0	110.5	M69 I71 M77 A79 L96 W97 I98 Y109	M69-Y85 HydrophobicContact CE-CE2 4.07Å; I71-Y85 HydrophobicContact CD1-CE1 4.26Å; I71-Y85 HydrophobicContact CG2-CD1 3.84Å; I71-Y85 HydrophobicContact CG2-CD2 4.39Å; I71-Y85 HydrophobicContact CG2-CE1 4.44Å; I71-Y85 HydrophobicContact CG2-CG 3.81Å; M77-Y85 VanDerWaalsContact CE-CB 3.4Å; A79-Y85 HydrophobicContact CB-CD2 3.34Å; A79-Y85 HydrophobicContact CB-CE2 3.78Å; A79-Y85 HydrophobicContact CB-CG 4.17Å; Y85-L96 HydrophobicContact CD1-CD1 4.2Å; Y85-W97 VanDerWaalsContact CA-O 3.29Å; Y85-W97 WeakPolarHBondContact CA-O 3.34Å; Y85-I98 HydrophobicContact CD1-CB 4.47Å; Y85-I98 HydrophobicContact CD1-CG1 3.87Å; Y85-I98 HydrophobicContact CD1-CG2 4.39Å; Y85-I98 HydrophobicContact CE1-CB 4.43Å; Y85-I98 HydrophobicContact CE1-CD1 4.13Å; Y85-I98 HydrophobicContact CE1-CG1 3.82Å; Y85-I98 HydrophobicContact CE1-CG2 4.01Å; Y85-Y109 HydrophobicContact CE1-CE1 4.03Å
86	S	93.3	Very high	89.4	Confident	48 Å²	48	71 Å²	71	34%	0.336	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.1	168.8	44.6	0	0	0	0	110.4	W97	S86-W97 PolarHBondContact N-O 3.47Å; S86-W97 PolarHBondContact O-N 3.33Å; S86-W97 VanDerWaalsContact OG-CB 3.28Å; S86-W97 WeakPolarHBondContact OG-CB 3.04Å
87	L	93.4	Very high	89.7	Confident	39 Å²	39	68 Å²	68	20%	0.204	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	-177.8	-169.2	79.3	0	0	0	109.9	F62 Q74 M77 W94 I95	F62-L87 HydrophobicContact CD2-CD1 3.72Å; F62-L87 HydrophobicContact CE2-CD1 3.71Å; Q74-L87 WeakPolarHBondContact O-CD2 3.35Å; M77-L87 HydrophobicContact SD-CB 3.8Å; L87-W94 HydrophobicContact CD2-CE3 3.93Å; L87-W94 HydrophobicContact CD2-CZ3 3.89Å; L87-W94 HydrophobicContact CG-CE3 4.44Å; L87-I95 WeakPolarHBondContact CA-O 2.9Å
88	E	93.3	Very high	89.9	Confident	75 Å²	75	64.4 Å²	64.4	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	174.7	-177.8	-172.7	165.3	0	0	109.2	N90 I95 W97	E88-N90 PolarHBondContact OE1-ND2 3.01Å; E88-N90 PolarHBondContact OE1-OD1 2.9Å; E88-I95 HydrophobicContact CB-CB 4.26Å; E88-I95 PolarHBondContact N-O 3.43Å; E88-I95 PolarHBondContact O-N 3.46Å; E88-W97 PolarHBondContact OE2-NE1 2.64Å
89	N	92.3	Very high	90.2	Very high	54 Å²	54	61.3 Å²	61.3	29%	0.289	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.8	180	176.2	7.1	0	0	0	109.8	H75 G91 A93 W94	H75-N89 PolarHBondContact NE2-ND2 3.09Å; N89-G91 PolarHBondContact OD1-N 3.36Å; N89-G91 PolarHBondContact OD1-O 2.84Å; N89-A93 WeakPolarHBondContact CA-O 3.47Å; N89-W94 HydrophobicContact CB-CD2 4.46Å; N89-W94 HydrophobicContact CB-CE3 4.23Å; N89-W94 HydrophobicContact CB-CZ3 4.29Å; N89-W94 WeakPolarHBondContact ND2-CZ2 3.39Å
90	N	89.4	Confident	90.7	Very high	100 Å²	100	66 Å²	66	54%	0.535	35%	0.345	S	S	.	.			trans	-111.6	38.3	-179.3	-65.6	-19.1	0	0	0	111.4	E88 E92 A93	E88-N90 PolarHBondContact OE1-ND2 3.01Å; E88-N90 PolarHBondContact OE1-OD1 2.9Å; N90-E92 PolarHBondContact O-N 3.4Å; N90-A93 PolarHBondContact N-O 2.85Å
91	G	86.7	Confident	91.6	Very high	57 Å²	57	60.6 Å²	60.6	59%	0.588	31%	0.307	S	S	*	.	S	Bend	trans	90.1	-86.1	178.1	0	0	0	0	0	112.3	N89	N89-G91 PolarHBondContact OD1-N 3.36Å; N89-G91 PolarHBondContact OD1-O 2.84Å
92	E	89.6	Confident	92.4	Very high	110 Å²	110	58 Å²	58	51%	0.514	30%	0.297	S	S	.	.	S	Bend	trans	-86.8	-10	175.6	-66.2	-165.2	161.5	0	0	112.9	H51 V52 N90	H51-E92 CarbonylContact C-O 3.48Å; H51-E92 VanDerWaalsContact CA-O 3.3Å; H51-E92 WeakPolarHBondContact CA-O 3.35Å; V52-E92 PolarHBondContact N-O 3.48Å; N90-E92 PolarHBondContact O-N 3.4Å
93	A	95.2	Very high	93.4	Very high	13 Å²	13	49.3 Å²	49.3	11%	0.107	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.7	-176.5	0	0	0	0	0	111.3	T49 N89 N90	T49-A93 HydrophobicContact CG2-CB 4.11Å; N89-A93 WeakPolarHBondContact CA-O 3.47Å; N90-A93 PolarHBondContact N-O 2.85Å
94	W	95.9	Very high	93.7	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118	170.9	-68.6	78.9	0	0	0	109	C50 L55 V60 F62 Q74 H75 L87 N89	C50-W94 HydrophobicContact CB-CB 4.29Å; C50-W94 PolarHBondContact N-O 2.95Å; C50-W94 PolarHBondContact O-N 2.95Å; L55-W94 HydrophobicContact CD2-CZ2 3.86Å; V60-W94 HydrophobicContact CB-CD2 3.89Å; V60-W94 HydrophobicContact CB-CE3 4.34Å; V60-W94 HydrophobicContact CB-CG 4.13Å; V60-W94 HydrophobicContact CB-CZ2 4.41Å; V60-W94 HydrophobicContact CG1-CB 4.22Å; V60-W94 HydrophobicContact CG1-CD2 4.15Å; V60-W94 HydrophobicContact CG1-CG 3.96Å; V60-W94 HydrophobicContact CG2-CD2 4.11Å; V60-W94 HydrophobicContact CG2-CG 4.14Å; V60-W94 HydrophobicContact CG2-CZ2 4.3Å; F62-W94 HydrophobicContact CE2-CB 4.05Å; F62-W94 HydrophobicContact CZ-CB 4.47Å; Q74-W94 HydrophobicContact CG-CH2 3.92Å; H75-W94 AromaticContact CE1-CH2 3.77Å; H75-W94 AromaticContact NE2-CH2 3.77Å; L87-W94 HydrophobicContact CD2-CE3 3.93Å; L87-W94 HydrophobicContact CD2-CZ3 3.89Å; L87-W94 HydrophobicContact CG-CE3 4.44Å; N89-W94 HydrophobicContact CB-CD2 4.46Å; N89-W94 HydrophobicContact CB-CE3 4.23Å; N89-W94 HydrophobicContact CB-CZ3 4.29Å; N89-W94 WeakPolarHBondContact ND2-CZ2 3.39Å
95	I	96.4	Very high	93.8	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114	-172.9	-52.1	172.9	0	0	0	108.7	F48 T49 L87 E88 W97	F48-I95 WeakPolarHBondContact O-CA 3.24Å; T49-I95 HydrophobicContact CG2-CG1 4.04Å; L87-I95 WeakPolarHBondContact CA-O 2.9Å; E88-I95 HydrophobicContact CB-CB 4.26Å; E88-I95 PolarHBondContact N-O 3.43Å; E88-I95 PolarHBondContact O-N 3.46Å; I95-W97 HydrophobicContact CG2-CD2 4.42Å; I95-W97 HydrophobicContact CG2-CG 4.49Å; I95-W97 HydrophobicContact CG2-CZ2 4.25Å
96	L	96.1	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.3	169.9	174	69.5	0	0	0	109.1	S47 F48 F62 I71 Y85 I98 Y109	S47-L96 CarbonylContact C-O 3.6Å; S47-L96 WeakPolarHBondContact CA-O 3.48Å; F48-L96 HydrophobicContact CB-CB 4.45Å; F48-L96 PolarHBondContact N-O 3.46Å; F48-L96 PolarHBondContact O-N 3.03Å; F62-L96 HydrophobicContact CB-CD2 3.99Å; F62-L96 HydrophobicContact CD1-CB 3.84Å; F62-L96 HydrophobicContact CD1-CD2 3.81Å; F62-L96 HydrophobicContact CD1-CG 4.42Å; F62-L96 HydrophobicContact CD2-CB 3.94Å; F62-L96 HydrophobicContact CE1-CB 3.78Å; F62-L96 HydrophobicContact CE1-CD2 4.46Å; F62-L96 HydrophobicContact CE2-CB 3.88Å; F62-L96 HydrophobicContact CG-CB 3.9Å; F62-L96 HydrophobicContact CG-CD2 3.96Å; F62-L96 HydrophobicContact CG-CG 4.38Å; F62-L96 HydrophobicContact CZ-CB 3.79Å; I71-L96 HydrophobicContact CD1-CD2 3.87Å; I71-L96 HydrophobicContact CG2-CD1 3.65Å; I71-L96 HydrophobicContact CG2-CD2 4.33Å; Y85-L96 HydrophobicContact CD1-CD1 4.2Å; L96-I98 HydrophobicContact CG-CG1 4.5Å; L96-Y109 HydrophobicContact CD2-CD1 3.98Å
97	W	96.3	Very high	94	Very high	82 Å²	82	45.5 Å²	45.5	31%	0.311	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138	172.5	-69.1	98.6	0	0	0	110.7	V46 Y85 S86 E88 I95	V46-W97 CarbonylContact O-C 3.56Å; V46-W97 WeakPolarHBondContact O-CA 3.45Å; Y85-W97 VanDerWaalsContact CA-O 3.29Å; Y85-W97 WeakPolarHBondContact CA-O 3.34Å; S86-W97 PolarHBondContact N-O 3.47Å; S86-W97 PolarHBondContact O-N 3.33Å; S86-W97 VanDerWaalsContact OG-CB 3.28Å; S86-W97 WeakPolarHBondContact OG-CB 3.04Å; E88-W97 PolarHBondContact OE2-NE1 2.64Å; I95-W97 HydrophobicContact CG2-CD2 4.42Å; I95-W97 HydrophobicContact CG2-CG 4.49Å; I95-W97 HydrophobicContact CG2-CZ2 4.25Å
98	I	96.3	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.4	173.3	-48.6	175.3	0	0	0	107.2	N45 V46 F48 K84 Y85 L96 V101 Y109 L125	N45-I98 WeakPolarHBondContact CA-O 3.3Å; V46-I98 HydrophobicContact CG2-CB 3.77Å; V46-I98 HydrophobicContact CG2-CD1 4.26Å; V46-I98 HydrophobicContact CG2-CG1 4.3Å; V46-I98 PolarHBondContact N-O 2.92Å; V46-I98 PolarHBondContact O-N 2.81Å; F48-I98 HydrophobicContact CD2-CD1 4.08Å; F48-I98 HydrophobicContact CE2-CD1 3.88Å; K84-I98 HydrophobicContact CG-CG2 4.45Å; K84-I98 CarbonylContact O-C 3.47Å; K84-I98 WeakPolarHBondContact O-CA 3.43Å; Y85-I98 HydrophobicContact CD1-CB 4.47Å; Y85-I98 HydrophobicContact CD1-CG1 3.87Å; Y85-I98 HydrophobicContact CD1-CG2 4.39Å; Y85-I98 HydrophobicContact CE1-CB 4.43Å; Y85-I98 HydrophobicContact CE1-CD1 4.13Å; Y85-I98 HydrophobicContact CE1-CG1 3.82Å; Y85-I98 HydrophobicContact CE1-CG2 4.01Å; L96-I98 HydrophobicContact CG-CG1 4.5Å; I98-V101 HydrophobicContact CG2-CG2 4.15Å; I98-Y109 HydrophobicContact CD1-CD1 4.1Å; I98-Y109 HydrophobicContact CD1-CE1 3.52Å; I98-Y109 HydrophobicContact CD1-CE2 4.03Å; I98-Y109 VanDerWaalsContact CD1-CZ 3.49Å; I98-L125 HydrophobicContact CD1-CD2 4.05Å
99	N	95.9	Very high	94.4	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	26%	0.256	C	S	.	.			trans	-94	145.5	-173.6	-58.4	-43.2	0	0	0	111.7	N45 N83 K84 V101	N45-N99 WeakPolarHBondContact OD1-CA 3.48Å; N83-N99 PolarHBondContact O-ND2 3.49Å; K84-N99 VanDerWaalsContact CD-O 3.23Å; K84-N99 WeakPolarHBondContact CD-O 3.23Å; K84-N99 WeakPolarHBondContact CE-O 3.39Å; K84-N99 PolarHBondContact NZ-O 3.38Å; K84-N99 PolarHBondContact O-N 3.37Å; N99-V101 PolarHBondContact O-N 2.7Å
100	N	95.4	Very high	94.6	Very high	109 Å²	109	42.5 Å²	42.5	58%	0.583	25%	0.25	S	C	*	.	S	Bend	trans	50.8	57.9	175.1	-174.7	31.4	0	0	0	111.7	G43 D44 N45 K84	G43-N100 WeakPolarHBondContact CA-OD1 3.41Å; D44-N100 PolarHBondContact O-N 3.4Å; N45-N100 PolarHBondContact OD1-N 3.46Å; K84-N100 PolarHBondContact NZ-O 2.99Å
101	V	95.9	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	22%	0.224	C	C	.	.			trans	-54	136.7	-173	169.2	0	0	0	0	111.3	A40 P42 G43 D44 V46 I98 N99 D105 L125 V127	A40-V101 HydrophobicContact CB-CG1 4.42Å; P42-V101 CarbonylContact C-O 3.59Å; P42-V101 VanDerWaalsContact CA-O 3.29Å; P42-V101 WeakPolarHBondContact CA-O 3.27Å; G43-V101 PolarHBondContact N-O 2.72Å; D44-V101 WeakPolarHBondContact O-CG2 3.48Å; D44-V101 PolarHBondContact O-N 3.48Å; V46-V101 HydrophobicContact CB-CG2 4.47Å; V46-V101 HydrophobicContact CG1-CG2 4.12Å; V46-V101 HydrophobicContact CG2-CG2 3.63Å; I98-V101 HydrophobicContact CG2-CG2 4.15Å; N99-V101 PolarHBondContact O-N 2.7Å; V101-D105 WeakPolarHBondContact CA-OD2 3.11Å; V101-L125 HydrophobicContact CG1-CD2 4.18Å; V101-L125 HydrophobicContact CG2-CD2 4.33Å; V101-V127 HydrophobicContact CG1-CG1 4.38Å; V101-V127 HydrophobicContact CG1-CG2 3.6Å
102	D	94.3	Very high	95.5	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.283	20%	0.203	S	C	.	.			trans	-132.9	170.1	175.4	66.9	58.6	0	0	0	110.4	K84 S104 D105	K84-D102 IonicContact NZ-OD2 2.87Å; K84-D102 PolarHBondContact NZ-OD2 3.48Å; D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 WeakPolarHBondContact OD1-CA 3.37Å; D102-S104 WeakPolarHBondContact OD1-CB 3.46Å; D102-S104 PolarHBondContact OD1-N 3.15Å; D102-S104 PolarHBondContact OD1-OG 3.5Å; D102-D105 PolarHBondContact N-OD2 3.24Å; D102-D105 WeakPolarHBondContact O-CB 3.37Å; D102-D105 PolarHBondContact O-N 3.25Å
103	G	92.7	Very high	95.8	Very high	46 Å²	46	31.2 Å²	31.2	47%	0.474	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.2	-177.1	0	0	0	0	0	114.6	D105	G103-D105 VanDerWaalsContact C-N 3.3Å
104	S	92.8	Very high	95.8	Very high	61 Å²	61	33.4 Å²	33.4	43%	0.427	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.4	175.6	79.2	0	0	0	0	113.2	R64 D102	R64-S104 PolarHBondContact NH1-O 3.22Å; R64-S104 PolarHBondContact NH2-O 3.46Å; D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 WeakPolarHBondContact OD1-CA 3.37Å; D102-S104 WeakPolarHBondContact OD1-CB 3.46Å; D102-S104 PolarHBondContact OD1-N 3.15Å; D102-S104 PolarHBondContact OD1-OG 3.5Å
105	D	94.3	Very high	95.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	19%	0.194	C	C	.	.	S	Bend	trans	-88.4	-14.5	178.3	-55.3	-49.5	0	0	0	113.6	K84 V101 D102 G103 G107 Y109 L125	K84-D105 WeakPolarHBondContact CE-OD1 3.31Å; K84-D105 WeakPolarHBondContact CE-OD2 3.34Å; K84-D105 IonicContact NZ-OD1 2.6Å; K84-D105 IonicContact NZ-OD2 3.52Å; K84-D105 PolarHBondContact NZ-OD2 2.88Å; V101-D105 WeakPolarHBondContact CA-OD2 3.11Å; D102-D105 PolarHBondContact N-OD2 3.24Å; D102-D105 WeakPolarHBondContact O-CB 3.37Å; D102-D105 PolarHBondContact O-N 3.25Å; G103-D105 VanDerWaalsContact C-N 3.3Å; D105-G107 PolarHBondContact O-N 2.96Å; D105-Y109 VanDerWaalsContact O-CE2 3.31Å; D105-Y109 WeakPolarHBondContact O-CE2 3.43Å; D105-Y109 PolarHBondContact O-OH 2.92Å; D105-L125 HydrophobicContact CB-CD2 3.89Å
106	E	95.3	Very high	95.6	Very high	65 Å²	65	41 Å²	41	30%	0.304	23%	0.231	S	C	.	.			trans	-55.9	135.3	178.7	-169.7	167.5	117.8	0	0	111.1	R64 L125 V127 K129	R64-E106 PolarHBondContact NH2-O 3.48Å; E106-L125 WeakPolarHBondContact CA-O 3.21Å; E106-L125 WeakPolarHBondContact CG-O 3.12Å; E106-V127 HydrophobicContact CB-CG2 4.01Å; E106-V127 WeakPolarHBondContact OE2-CB 3.31Å; E106-V127 PolarHBondContact OE2-N 2.64Å; E106-V127 VanDerWaalsContact OE2-N 3.13Å; E106-K129 IonicContact OE1-NZ 3.59Å; E106-K129 PolarHBondContact OE1-NZ 2.89Å; E106-K129 VanDerWaalsContact OE2-CE 3.24Å; E106-K129 WeakPolarHBondContact OE2-CE 3.13Å; E106-K129 IonicContact OE2-NZ 2.92Å; E106-K129 PolarHBondContact OE2-NZ 2.79Å
107	G	95.8	Very high	95.4	Very high	22 Å²	22	46 Å²	46	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-169.5	-179.3	0	0	0	0	0	113.3	D105 S124 L125	D105-G107 PolarHBondContact O-N 2.96Å; G107-S124 WeakPolarHBondContact O-CA 3.49Å; G107-L125 PolarHBondContact N-O 2.94Å; G107-L125 VanDerWaalsContact N-O 3.12Å; G107-L125 PolarHBondContact O-N 2.93Å
108	I	97.7	Very high	95.3	Very high	71 Å²	71	46.9 Å²	46.9	36%	0.364	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.3	-174.1	-60	165.1	0	0	0	110.1	T65 I122	T65-I108 HydrophobicContact CG2-CB 4.39Å; T65-I108 HydrophobicContact CG2-CG2 4.02Å; T65-I108 PolarHBondContact N-O 3.21Å; T65-I108 VanDerWaalsContact OG1-CB 3.31Å; T65-I108 WeakPolarHBondContact OG1-CB 3.23Å; T65-I108 PolarHBondContact OG1-O 2.95Å; I108-I122 HydrophobicContact CG2-CB 3.77Å; I108-I122 HydrophobicContact CG2-CD1 4.18Å; I108-I122 HydrophobicContact CG2-CG1 4.47Å; I108-I122 HydrophobicContact CG2-CG2 4.13Å
109	Y	97.5	Very high	95.3	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132	177.3	-69.3	-98.2	0	0	0	109.7	F48 R64 I71 Y85 L96 I98 D105 I122 A123 L125	F48-Y109 HydrophobicContact CD2-CD1 4.37Å; F48-Y109 HydrophobicContact CD2-CD2 4.26Å; F48-Y109 AromaticContact CD2-CG 3.92Å; F48-Y109 HydrophobicContact CD2-CG 3.92Å; F48-Y109 HydrophobicContact CE2-CD1 4.25Å; F48-Y109 AromaticContact CE2-CD2 3.41Å; F48-Y109 HydrophobicContact CE2-CD2 3.41Å; F48-Y109 VanDerWaalsContact CE2-CD2 3.41Å; F48-Y109 HydrophobicContact CE2-CE2 4.06Å; F48-Y109 AromaticContact CE2-CG 3.54Å; F48-Y109 HydrophobicContact CE2-CG 3.54Å; F48-Y109 AromaticContact CZ-CD2 3.93Å; F48-Y109 HydrophobicContact CZ-CD2 3.93Å; F48-Y109 HydrophobicContact CZ-CG 4.31Å; R64-Y109 HydrophobicContact CB-CE1 4.48Å; I71-Y109 HydrophobicContact CD1-CD1 3.53Å; I71-Y109 HydrophobicContact CD1-CE1 3.59Å; Y85-Y109 HydrophobicContact CE1-CE1 4.03Å; L96-Y109 HydrophobicContact CD2-CD1 3.98Å; I98-Y109 HydrophobicContact CD1-CD1 4.1Å; I98-Y109 HydrophobicContact CD1-CE1 3.52Å; I98-Y109 HydrophobicContact CD1-CE2 4.03Å; I98-Y109 VanDerWaalsContact CD1-CZ 3.49Å; D105-Y109 VanDerWaalsContact O-CE2 3.31Å; D105-Y109 WeakPolarHBondContact O-CE2 3.43Å; D105-Y109 PolarHBondContact O-OH 2.92Å; Y109-I122 CarbonylContact O-C 3.59Å; Y109-I122 VanDerWaalsContact O-CA 3.3Å; Y109-I122 WeakPolarHBondContact O-CA 3Å; Y109-A123 PolarHBondContact N-O 3.2Å; Y109-A123 PolarHBondContact O-N 3.36Å; Y109-L125 HydrophobicContact CD2-CB 4.09Å; Y109-L125 HydrophobicContact CE2-CB 3.75Å; Y109-L125 HydrophobicContact CE2-CD2 4.14Å
110	M	97.9	Very high	95.4	Very high	32 Å²	32	49.3 Å²	49.3	16%	0.158	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.5	-175.6	-177	170.6	65.5	0	0	110.3	F62 V63 T65 A120 Q121 I122	F62-M110 CarbonylContact C-O 3.55Å; F62-M110 VanDerWaalsContact CA-O 3.3Å; F62-M110 WeakPolarHBondContact CA-O 3.34Å; V63-M110 HydrophobicContact CB-CB 4.47Å; V63-M110 HydrophobicContact CB-CE 3.96Å; V63-M110 HydrophobicContact CG1-CE 4.16Å; V63-M110 HydrophobicContact CG2-CE 4.38Å; V63-M110 PolarHBondContact N-O 3.03Å; V63-M110 WeakPolarHBondContact O-CB 3.48Å; V63-M110 PolarHBondContact O-N 3.38Å; T65-M110 HydrophobicContact CG2-CB 4.14Å; M110-A120 HydrophobicContact CG-CB 3.81Å; M110-A120 HydrophobicContact SD-CB 3.68Å; M110-Q121 CarbonylContact C-O 3.59Å; M110-Q121 WeakPolarHBondContact CA-O 2.86Å; M110-I122 HydrophobicContact CB-CG2 3.92Å; M110-I122 HydrophobicContact CG-CG2 3.89Å; M110-I122 HydrophobicContact SD-CG2 4.37Å
111	C	97.5	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.9	162.9	179.8	0	0	0	0	108.8	F31 M35 C50 V60 A61 F62 A120 Q121	F31-C111 WeakPolarHBondContact CZ-O 3.26Å; M35-C111 HydrophobicContact SD-CB 3.41Å; M35-C111 WeakPolarHBondContact SD-CB 3.45Å; C50-C111 HydrophobicContact CB-CB 3.58Å; C50-C111 WeakPolarHBondContact CB-SG 3.4Å; C50-C111 WeakPolarHBondContact SG-CB 3.4Å; C50-C111 CovalentContact SG-SG 2.03Å; C50-C111 PolarHBondContact SG-SG 2.9Å; V60-C111 WeakPolarHBondContact CG1-SG 3.5Å; A61-C111 WeakPolarHBondContact O-CA 3.41Å; F62-C111 HydrophobicContact CD1-CB 4.18Å; F62-C111 HydrophobicContact CE1-CB 3.85Å; F62-C111 HydrophobicContact CZ-CB 4.32Å; C111-A120 CarbonylContact O-C 3.19Å; C111-A120 VanDerWaalsContact O-CA 3.25Å; C111-A120 WeakPolarHBondContact O-CA 3.43Å; C111-Q121 HydrophobicContact CB-CG 3.99Å; C111-Q121 PolarHBondContact N-O 2.96Å; C111-Q121 PolarHBondContact O-N 2.69Å
112	Q	96.7	Very high	95.5	Very high	30 Å²	30	50 Å²	50	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.8	-179.5	67.8	-177.4	5.4	0	0	111.3	V60 A61 V63 M118 V119 A120	V60-Q112 WeakPolarHBondContact CA-O 3.47Å; A61-Q112 HydrophobicContact CB-CG 3.76Å; A61-Q112 PolarHBondContact N-O 3.46Å; A61-Q112 PolarHBondContact O-N 2.7Å; V63-Q112 HydrophobicContact CG2-CG 4.44Å; Q112-M118 HydrophobicContact CB-CG 4.35Å; Q112-M118 HydrophobicContact CB-SD 4.03Å; Q112-M118 HydrophobicContact CG-SD 4.46Å; Q112-M118 PolarHBondContact OE1-SD 3.19Å; Q112-V119 WeakPolarHBondContact CA-O 3.41Å; Q112-A120 HydrophobicContact CB-CB 4.06Å
113	I	96	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.7	173.9	-50.5	171.9	0	0	0	107.5	P29 F31 V52 L55 Y58 L59 T115 M118 V119	P29-I113 HydrophobicContact CB-CD1 4.28Å; P29-I113 HydrophobicContact CB-CG2 4.3Å; P29-I113 HydrophobicContact CG-CG2 4Å; F31-I113 HydrophobicContact CD1-CD1 4.11Å; F31-I113 HydrophobicContact CE1-CD1 3.56Å; F31-I113 HydrophobicContact CE1-CG1 3.75Å; F31-I113 HydrophobicContact CE2-CD1 4.48Å; F31-I113 HydrophobicContact CZ-CD1 3.78Å; F31-I113 HydrophobicContact CZ-CG1 3.8Å; V52-I113 HydrophobicContact CB-CD1 4.42Å; V52-I113 HydrophobicContact CG1-CD1 3.5Å; V52-I113 HydrophobicContact CG1-CG1 4.44Å; V52-I113 HydrophobicContact CG2-CD1 4.03Å; V52-I113 HydrophobicContact CG2-CG1 4.48Å; L55-I113 HydrophobicContact CD1-CG2 4.23Å; Y58-I113 HydrophobicContact CG-CG2 4.49Å; L59-I113 WeakPolarHBondContact O-CA 3.35Å; I113-T115 HydrophobicContact CG2-CG2 4Å; I113-T115 PolarHBondContact O-N 2.93Å; I113-T115 PolarHBondContact O-OG1 3.32Å; I113-M118 VanDerWaalsContact O-CG 3.32Å; I113-M118 WeakPolarHBondContact O-CG 3.5Å; I113-V119 HydrophobicContact CB-CG2 3.79Å; I113-V119 HydrophobicContact CD1-CG2 3.9Å; I113-V119 HydrophobicContact CG1-CG2 4.12Å; I113-V119 PolarHBondContact N-O 3.39Å; I113-V119 PolarHBondContact O-N 2.86Å
114	N	95	Very high	95.9	Very high	59 Å²	59	46.9 Å²	46.9	32%	0.316	27%	0.27	S	S	.	.			trans	-74.1	40.6	-178.1	73.3	-18.9	0	0	0	114.3	Y58 L59 W73	Y58-N114 VanDerWaalsContact CA-OD1 3.24Å; Y58-N114 WeakPolarHBondContact CA-OD1 3.47Å; Y58-N114 VanDerWaalsContact CB-OD1 3.29Å; Y58-N114 WeakPolarHBondContact CB-OD1 3.26Å; L59-N114 PolarHBondContact N-OD1 3.3Å; L59-N114 PolarHBondContact O-N 3.29Å; L59-N114 VanDerWaalsContact O-N 3.17Å; L59-N114 PolarHBondContact O-OD1 2.8Å; W73-N114 HydrophobicContact CH2-CB 4.03Å; W73-N114 HydrophobicContact CZ2-CB 4.36Å
115	T	94.8	Very high	96.1	Very high	20 Å²	20	44 Å²	44	12%	0.123	25%	0.25	C	C	.	.			trans	-69.1	170.9	168.7	50.2	0	0	0	0	111.7	P29 Y58 I113 P117 M118 V119	P29-T115 HydrophobicContact CG-CG2 3.22Å; Y58-T115 HydrophobicContact CD1-CG2 3.9Å; Y58-T115 HydrophobicContact CE1-CG2 3.97Å; Y58-T115 HydrophobicContact CG-CG2 4.21Å; I113-T115 HydrophobicContact CG2-CG2 4Å; I113-T115 PolarHBondContact O-N 2.93Å; I113-T115 PolarHBondContact O-OG1 3.32Å; T115-P117 VanDerWaalsContact C-C 3.45Å; T115-P117 CarbonylContact C-O 3.22Å; T115-P117 VanDerWaalsContact CB-O 3.26Å; T115-P117 WeakPolarHBondContact CB-O 3.45Å; T115-P117 CarbonylContact O-C 3.56Å; T115-P117 PolarHBondContact OG1-O 2.62Å; T115-M118 VanDerWaalsContact O-CA 3.29Å; T115-M118 WeakPolarHBondContact O-CA 3.33Å; T115-M118 PolarHBondContact O-N 2.98Å; T115-M118 VanDerWaalsContact O-N 3.09Å; T115-V119 HydrophobicContact CG2-CG2 4.4Å; T115-V119 PolarHBondContact OG1-N 2.95Å; T115-V119 VanDerWaalsContact OG1-N 3.12Å
116	N	92.7	Very high	96.2	Very high	163 Å²	163	46 Å²	46	87%	0.872	26%	0.262	S	S	*	.	S	Bend	trans	-123.9	106.9	170.4	-172.6	20.4	0	0	0	109.8
117	P	93.8	Very high	96.3	Very high	105 Å²	105	43 Å²	43	68%	0.682	25%	0.248	S	C	*	.	S	Bend	cis	-68.1	157.4	-1.8	31	-36.1	0	0	0	112.3	T115 V119	T115-P117 VanDerWaalsContact C-C 3.45Å; T115-P117 CarbonylContact C-O 3.22Å; T115-P117 VanDerWaalsContact CB-O 3.26Å; T115-P117 WeakPolarHBondContact CB-O 3.45Å; T115-P117 CarbonylContact O-C 3.56Å; T115-P117 PolarHBondContact OG1-O 2.62Å; P117-V119 PolarHBondContact O-N 2.83Å
118	M	94.2	Very high	96.3	Very high	100 Å²	100	43.8 Å²	43.8	49%	0.493	25%	0.246	S	C	.	.			trans	-63.1	132.7	176.6	-178.5	-160.6	74.2	0	0	109.9	Q112 I113 T115 A120	Q112-M118 HydrophobicContact CB-CG 4.35Å; Q112-M118 HydrophobicContact CB-SD 4.03Å; Q112-M118 HydrophobicContact CG-SD 4.46Å; Q112-M118 PolarHBondContact OE1-SD 3.19Å; I113-M118 VanDerWaalsContact O-CG 3.32Å; I113-M118 WeakPolarHBondContact O-CG 3.5Å; T115-M118 VanDerWaalsContact O-CA 3.29Å; T115-M118 WeakPolarHBondContact O-CA 3.33Å; T115-M118 PolarHBondContact O-N 2.98Å; T115-M118 VanDerWaalsContact O-N 3.09Å; M118-A120 HydrophobicContact CE-CB 4.29Å
119	V	95.7	Very high	96.2	Very high	51 Å²	51	44.2 Å²	44.2	31%	0.309	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.5	172.5	-60.9	0	0	0	0	110.1	F31 Q112 I113 T115 P117	F31-V119 HydrophobicContact CE2-CB 4.09Å; F31-V119 HydrophobicContact CE2-CG2 3.96Å; F31-V119 HydrophobicContact CZ-CG2 4.2Å; Q112-V119 WeakPolarHBondContact CA-O 3.41Å; I113-V119 HydrophobicContact CB-CG2 3.79Å; I113-V119 HydrophobicContact CD1-CG2 3.9Å; I113-V119 HydrophobicContact CG1-CG2 4.12Å; I113-V119 PolarHBondContact N-O 3.39Å; I113-V119 PolarHBondContact O-N 2.86Å; T115-V119 HydrophobicContact CG2-CG2 4.4Å; T115-V119 PolarHBondContact OG1-N 2.95Å; T115-V119 VanDerWaalsContact OG1-N 3.12Å; P117-V119 PolarHBondContact O-N 2.83Å
120	A	97.1	Very high	96.1	Very high	45 Å²	45	47 Å²	47	37%	0.372	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	156.6	-179.9	0	0	0	0	0	112.5	M110 C111 Q112 M118	M110-A120 HydrophobicContact CG-CB 3.81Å; M110-A120 HydrophobicContact SD-CB 3.68Å; C111-A120 CarbonylContact O-C 3.19Å; C111-A120 VanDerWaalsContact O-CA 3.25Å; C111-A120 WeakPolarHBondContact O-CA 3.43Å; Q112-A120 HydrophobicContact CB-CB 4.06Å; M118-A120 HydrophobicContact CE-CB 4.29Å
121	Q	96.7	Very high	96.1	Very high	21 Å²	21	45.7 Å²	45.7	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152	166.1	60.2	173.8	-28.1	0	0	109.6	F31 M35 C50 M110 C111	F31-Q121 HydrophobicContact CD1-CG 3.89Å; F31-Q121 HydrophobicContact CD2-CB 4.17Å; F31-Q121 HydrophobicContact CD2-CG 4.25Å; F31-Q121 HydrophobicContact CE1-CG 3.86Å; F31-Q121 HydrophobicContact CE2-CB 4.21Å; F31-Q121 HydrophobicContact CE2-CG 4.24Å; F31-Q121 HydrophobicContact CG-CB 4.4Å; F31-Q121 HydrophobicContact CG-CG 4.08Å; F31-Q121 HydrophobicContact CZ-CB 4.46Å; F31-Q121 HydrophobicContact CZ-CG 4.04Å; M35-Q121 HydrophobicContact CG-CG 4.03Å; M35-Q121 HydrophobicContact SD-CG 3.73Å; C50-Q121 PolarHBondContact SG-NE2 2.68Å; M110-Q121 CarbonylContact C-O 3.59Å; M110-Q121 WeakPolarHBondContact CA-O 2.86Å; C111-Q121 HydrophobicContact CB-CG 3.99Å; C111-Q121 PolarHBondContact N-O 2.96Å; C111-Q121 PolarHBondContact O-N 2.69Å
122	I	97.6	Very high	96.1	Very high	102 Å²	102	53 Å²	53	52%	0.523	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.8	-175.3	61.6	171.8	0	0	0	111.3	I108 Y109 M110	I108-I122 HydrophobicContact CG2-CB 3.77Å; I108-I122 HydrophobicContact CG2-CD1 4.18Å; I108-I122 HydrophobicContact CG2-CG1 4.47Å; I108-I122 HydrophobicContact CG2-CG2 4.13Å; Y109-I122 CarbonylContact O-C 3.59Å; Y109-I122 VanDerWaalsContact O-CA 3.3Å; Y109-I122 WeakPolarHBondContact O-CA 3Å; M110-I122 HydrophobicContact CB-CG2 3.92Å; M110-I122 HydrophobicContact CG-CG2 3.89Å; M110-I122 HydrophobicContact SD-CG2 4.37Å
123	A	98	Very high	96.2	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.8	166.3	0	0	0	0	0	110.3	M35 K36 F48 Y109	M35-A123 HydrophobicContact CB-CB 3.79Å; M35-A123 HydrophobicContact CE-CB 3.89Å; K36-A123 WeakPolarHBondContact O-CB 3.33Å; F48-A123 HydrophobicContact CD1-CB 3.79Å; F48-A123 HydrophobicContact CE1-CB 3.54Å; Y109-A123 PolarHBondContact N-O 3.2Å; Y109-A123 PolarHBondContact O-N 3.36Å
124	S	97.4	Very high	96.3	Very high	32 Å²	32	54.4 Å²	54.4	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138	179.7	63.6	0	0	0	0	111.7	D37 V38 G107	D37-S124 WeakPolarHBondContact CA-O 3.2Å; D37-S124 PolarHBondContact OD1-N 3.25Å; D37-S124 PolarHBondContact OD1-OG 3.32Å; V38-S124 PolarHBondContact N-O 2.87Å; G107-S124 WeakPolarHBondContact O-CA 3.49Å
125	L	97.2	Very high	96.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.7	162.5	178	58.5	0	0	0	107.5	V38 A40 V46 F48 I98 V101 D105 E106 G107 Y109 V127	V38-L125 HydrophobicContact CB-CD1 4.18Å; V38-L125 HydrophobicContact CG1-CD1 4.14Å; V38-L125 WeakPolarHBondContact O-CA 3.4Å; A40-L125 HydrophobicContact CB-CD1 4.2Å; V46-L125 HydrophobicContact CG1-CD1 4.49Å; V46-L125 HydrophobicContact CG2-CD1 4.05Å; V46-L125 HydrophobicContact CG2-CD2 4.32Å; F48-L125 HydrophobicContact CE2-CB 4.16Å; F48-L125 HydrophobicContact CZ-CB 3.87Å; I98-L125 HydrophobicContact CD1-CD2 4.05Å; V101-L125 HydrophobicContact CG1-CD2 4.18Å; V101-L125 HydrophobicContact CG2-CD2 4.33Å; D105-L125 HydrophobicContact CB-CD2 3.89Å; E106-L125 WeakPolarHBondContact CA-O 3.21Å; E106-L125 WeakPolarHBondContact CG-O 3.12Å; G107-L125 PolarHBondContact N-O 2.94Å; G107-L125 VanDerWaalsContact N-O 3.12Å; G107-L125 PolarHBondContact O-N 2.93Å; Y109-L125 HydrophobicContact CD2-CB 4.09Å; Y109-L125 HydrophobicContact CE2-CB 3.75Å; Y109-L125 HydrophobicContact CE2-CD2 4.14Å; L125-V127 HydrophobicContact CG-CG2 4.48Å
126	T	96.3	Very high	96.4	Very high	44 Å²	44	65.2 Å²	65.2	27%	0.27	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.1	173.6	-64.7	0	0	0	0	109.3	V38 T39 A40 S159	V38-T126 PolarHBondContact O-N 3.24Å; T39-T126 VanDerWaalsContact CA-O 3.29Å; T39-T126 WeakPolarHBondContact CA-O 3.44Å; T39-T126 HydrophobicContact CG2-CG2 4.5Å; A40-T126 PolarHBondContact N-O 2.92Å; T126-S159 WeakPolarHBondContact CG2-OG 3.27Å
127	V	96.5	Very high	96.5	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.5	178	-175.3	0	0	0	0	108.9	A40 P42 V101 E106 L125 S159	A40-V127 CarbonylContact O-C 3.52Å; A40-V127 WeakPolarHBondContact O-CA 3.4Å; P42-V127 HydrophobicContact CG-CG1 4.02Å; V101-V127 HydrophobicContact CG1-CG1 4.38Å; V101-V127 HydrophobicContact CG1-CG2 3.6Å; E106-V127 HydrophobicContact CB-CG2 4.01Å; E106-V127 WeakPolarHBondContact OE2-CB 3.31Å; E106-V127 PolarHBondContact OE2-N 2.64Å; E106-V127 VanDerWaalsContact OE2-N 3.13Å; L125-V127 HydrophobicContact CG-CG2 4.48Å; V127-S159 VanDerWaalsContact O-CB 3.31Å; V127-S159 WeakPolarHBondContact O-CB 3.13Å; V127-S159 PolarHBondContact O-OG 2.93Å
128	Q	96.3	Very high	96.7	Very high	38 Å²	38	55.8 Å²	55.8	18%	0.178	29%	0.289	C	S	.	.			trans	-65.2	136.4	178.8	-66.6	-178.2	6.8	0	0	110.1	T39 A40 Q41 S159 I213	T39-Q128 HydrophobicContact CG2-CG 3.62Å; A40-Q128 PolarHBondContact O-N 2.94Å; Q41-Q128 HydrophobicContact CG-CB 4.32Å; Q41-Q128 HydrophobicContact CG-CG 4.44Å; Q128-S159 CarbonylContact C-O 3.6Å; Q128-S159 VanDerWaalsContact CA-O 3.26Å; Q128-S159 WeakPolarHBondContact CA-O 3.45Å; Q128-I213 HydrophobicContact CB-CD1 4.46Å; Q128-I213 HydrophobicContact CB-CG1 4.41Å
129	K	94.9	Very high	96.9	Very high	80 Å²	80	52.3 Å²	52.3	35%	0.348	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.6	-177.1	-67	163.8	-171.9	162	0	108.1	E106 S159 N211	E106-K129 IonicContact OE1-NZ 3.59Å; E106-K129 PolarHBondContact OE1-NZ 2.89Å; E106-K129 VanDerWaalsContact OE2-CE 3.24Å; E106-K129 WeakPolarHBondContact OE2-CE 3.13Å; E106-K129 IonicContact OE2-NZ 2.92Å; E106-K129 PolarHBondContact OE2-NZ 2.79Å; K129-S159 PolarHBondContact N-O 3.16Å; K129-S159 PolarHBondContact O-N 2.03Å; K129-S159 VanDerWaalsContact O-N 3.07Å; K129-S159 VanDerWaalsContact O-O 3.05Å; K129-N211 PolarHBondContact O-ND2 2.93Å
130	P	96.5	Very high	97	Very high	58 Å²	58	54.9 Å²	54.9	38%	0.377	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	156.9	174.1	26.8	-34.1	0	0	0	111	I213	P130-I213 HydrophobicContact CB-CG2 4.35Å
131	P	97.8	Very high	97	Very high	6 Å²	6	57.8 Å²	57.8	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.8	177.2	29.6	-35.4	0	0	0	110	D157 P162 A209 N211 I213 P215	P131-D157 CarbonylContact C-O 3.6Å; P131-D157 WeakPolarHBondContact CA-O 3.49Å; P131-P162 HydrophobicContact CB-CB 4.02Å; P131-P162 HydrophobicContact CB-CG 3.76Å; P131-A209 HydrophobicContact CB-CB 4.04Å; P131-A209 VanDerWaalsContact CG-O 3.23Å; P131-A209 WeakPolarHBondContact CG-O 3.32Å; P131-N211 WeakPolarHBondContact CD-OD1 3.2Å; P131-I213 VanDerWaalsContact CD-O 3.27Å; P131-I213 WeakPolarHBondContact CD-O 3.32Å; P131-P215 WeakPolarHBondContact CD-O 3.18Å
132	K	97.9	Very high	97.1	Very high	152 Å²	152	58.6 Å²	58.6	66%	0.661	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.3	176.1	-168	172.6	-176.9	175.6	0	111.4	A156 D157 E217	K132-A156 CarbonylContact O-C 3.49Å; K132-A156 WeakPolarHBondContact O-CA 3.25Å; K132-D157 PolarHBondContact N-O 2.82Å; K132-D157 PolarHBondContact O-N 2.81Å; K132-E217 WeakPolarHBondContact CA-OE2 3.36Å
133	I	97.8	Very high	97	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.7	178.6	-65.1	178.3	0	0	0	110	K135 T138 V155 A156 A209 E217 W219	I133-K135 PolarHBondContact O-N 2.93Å; I133-K135 VanDerWaalsContact O-N 3.09Å; I133-T138 HydrophobicContact CG2-CG2 4.33Å; I133-V155 WeakPolarHBondContact CA-O 3.4Å; I133-A156 HydrophobicContact CG1-CB 4.12Å; I133-A209 HydrophobicContact CD1-CB 4.25Å; I133-A209 HydrophobicContact CG1-CB 4Å; I133-E217 HydrophobicContact CB-CG 4.32Å; I133-E217 HydrophobicContact CD1-CB 4.32Å; I133-E217 HydrophobicContact CD1-CG 4.08Å; I133-E217 HydrophobicContact CG1-CB 4.19Å; I133-E217 HydrophobicContact CG1-CG 4.06Å; I133-E217 PolarHBondContact N-OE2 2.85Å; I133-W219 HydrophobicContact CD1-CB 3.74Å; I133-W219 HydrophobicContact CG2-CB 4.14Å; I133-W219 HydrophobicContact CG2-CG 4.48Å
134	N	97.6	Very high	97	Very high	55 Å²	55	59.7 Å²	59.7	29%	0.294	30%	0.302	S	S	.	.			trans	-77.8	94.7	170.4	-174.2	-21.5	0	0	0	109.5	K136 S137 T138 V155	N134-K136 PolarHBondContact O-N 2.84Å; N134-K136 PolarHBondContact OD1-N 3.02Å; N134-K136 VanDerWaalsContact OD1-N 3.12Å; N134-S137 PolarHBondContact ND2-OG 3.13Å; N134-S137 PolarHBondContact O-N 2.88Å; N134-S137 PolarHBondContact OD1-N 2.98Å; N134-T138 WeakPolarHBondContact O-CB 3.39Å; N134-T138 PolarHBondContact O-N 3.27Å; N134-T138 PolarHBondContact O-OG1 2.96Å; N134-V155 HydrophobicContact CB-CB 4.34Å; N134-V155 HydrophobicContact CB-CG1 4.24Å; N134-V155 PolarHBondContact N-O 2.84Å
135	K	95.7	Very high	97	Very high	109 Å²	109	64.6 Å²	64.6	47%	0.474	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.5	-178.9	-59.4	-179.4	179.6	-176	0	113.1	I133 H140 W219	I133-K135 PolarHBondContact O-N 2.93Å; I133-K135 VanDerWaalsContact O-N 3.09Å; K135-H140 PolarHBondContact O-CE1 2.85Å; K135-W219 HydrophobicContact CB-CH2 4.07Å; K135-W219 HydrophobicContact CB-CZ2 4.46Å; K135-W219 HydrophobicContact CB-CZ3 4.29Å; K135-W219 HydrophobicContact CD-CE3 4.21Å; K135-W219 HydrophobicContact CD-CH2 3.79Å; K135-W219 HydrophobicContact CD-CZ3 3.41Å; K135-W219 VanDerWaalsContact CD-CZ3 3.41Å; K135-W219 VanDerWaalsContact CE-CZ3 3.49Å; K135-W219 HydrophobicContact CG-CE3 3.98Å; K135-W219 HydrophobicContact CG-CH2 3.86Å; K135-W219 HydrophobicContact CG-CZ3 3.56Å
136	K	96.3	Very high	96.9	Very high	196 Å²	196	67.7 Å²	67.7	85%	0.852	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.2	-178.8	-67.4	-175.3	178.3	-177.6	0	112.6	N134	N134-K136 PolarHBondContact O-N 2.84Å; N134-K136 PolarHBondContact OD1-N 3.02Å; N134-K136 VanDerWaalsContact OD1-N 3.12Å
137	S	96.5	Very high	96.9	Very high	66 Å²	66	67.8 Å²	67.8	46%	0.462	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6	-178.5	-54.5	0	0	0	0	113.4	N134	N134-S137 PolarHBondContact ND2-OG 3.13Å; N134-S137 PolarHBondContact O-N 2.88Å; N134-S137 PolarHBondContact OD1-N 2.98Å
138	T	97.1	Very high	96.9	Very high	4 Å²	4	69.5 Å²	69.5	3%	0.025	36%	0.355	C	S	.	.	S	Bend	trans	-92.2	142.7	178.7	-64.2	0	0	0	0	109.8	I133 N134 H140 T153 C154 V155 W219	I133-T138 HydrophobicContact CG2-CG2 4.33Å; N134-T138 WeakPolarHBondContact O-CB 3.39Å; N134-T138 PolarHBondContact O-N 3.27Å; N134-T138 PolarHBondContact O-OG1 2.96Å; T138-H140 PolarHBondContact O-N 2.79Å; T138-H140 PolarHBondContact O-ND1 3.44Å; T138-T153 CarbonylContact C-O 3.09Å; T138-T153 WeakPolarHBondContact CA-O 3.49Å; T138-T153 WeakPolarHBondContact CG2-O 3.44Å; T138-C154 HydrophobicContact CG2-CB 4.27Å; T138-V155 PolarHBondContact OG1-N 3.44Å; T138-V155 VanDerWaalsContact OG1-N 3.12Å; T138-W219 HydrophobicContact CG2-CB 4.42Å; T138-W219 HydrophobicContact CG2-CG 3.85Å
139	T	97.8	Very high	96.8	Very high	27 Å²	27	72 Å²	72	17%	0.166	37%	0.37	C	S	.	.			trans	-60.4	135.9	178.9	-60.6	0	0	0	0	110.4	I142 L152 T153 W219 V221	T139-I142 HydrophobicContact CG2-CG2 3.85Å; T139-L152 HydrophobicContact CG2-CD2 4.1Å; T139-T153 PolarHBondContact N-O 2.89Å; T139-T153 PolarHBondContact OG1-N 3.39Å; T139-T153 PolarHBondContact OG1-O 2.89Å; T139-W219 PolarHBondContact O-NE1 3.15Å; T139-V221 HydrophobicContact CG2-CG1 4.19Å; T139-V221 WeakPolarHBondContact O-CG2 3.49Å
140	H	97.8	Very high	96.9	Very high	105 Å²	105	68.7 Å²	68.7	49%	0.486	36%	0.358	S	S	.	.			trans	-98.1	-179.3	171.8	-66	66.5	0	0	0	109.5	K135 T138 I142 V221	K135-H140 PolarHBondContact O-CE1 2.85Å; T138-H140 PolarHBondContact O-N 2.79Å; T138-H140 PolarHBondContact O-ND1 3.44Å; H140-I142 WeakPolarHBondContact O-CG2 2.96Å; H140-I142 PolarHBondContact O-N 2.73Å; H140-V221 WeakPolarHBondContact O-CG1 3.14Å
141	D	97.9	Very high	96.9	Very high	107 Å²	107	69.2 Å²	69.2	57%	0.572	36%	0.36	S	S	*	.			trans	-49.1	134.3	176.9	-67.8	-1.3	0	0	0	112.3	K222	D141-K222 CarbonylContact C-O 3.45Å; D141-K222 WeakPolarHBondContact CA-O 3.33Å; D141-K222 HydrophobicContact CB-CB 4.17Å; D141-K222 VanDerWaalsContact CG-CB 3.44Å; D141-K222 WeakPolarHBondContact OD1-CB 3.47Å; D141-K222 PolarHBondContact OD1-N 2.9Å
142	I	97.6	Very high	96.9	Very high	37 Å²	37	68.9 Å²	68.9	19%	0.19	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.9	-176.6	61.8	170.9	0	0	0	112	T139 H140 V144 A150 L152 K222 I223 Q224	T139-I142 HydrophobicContact CG2-CG2 3.85Å; H140-I142 WeakPolarHBondContact O-CG2 2.96Å; H140-I142 PolarHBondContact O-N 2.73Å; I142-V144 HydrophobicContact CD1-CG1 4.12Å; I142-A150 HydrophobicContact CD1-CB 3.8Å; I142-L152 HydrophobicContact CD1-CD2 3.62Å; I142-L152 HydrophobicContact CG1-CD2 4.38Å; I142-K222 PolarHBondContact N-O 2.91Å; I142-I223 HydrophobicContact CD1-CD1 4.44Å; I142-I223 HydrophobicContact CD1-CG1 4.15Å; I142-I223 HydrophobicContact CD1-CG2 4.35Å; I142-I223 HydrophobicContact CG1-CB 4.37Å; I142-I223 HydrophobicContact CG1-CG1 4.03Å; I142-I223 HydrophobicContact CG1-CG2 4.25Å; I142-Q224 PolarHBondContact O-N 3.18Å
143	I	97	Very high	96.9	Very high	104 Å²	104	63.4 Å²	63.4	53%	0.533	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124	171	-59.3	176.3	0	0	0	107.5	Q224 H226	I143-Q224 WeakPolarHBondContact CA-O 3.39Å; I143-Q224 HydrophobicContact CG1-CB 4.22Å; I143-H226 WeakPolarHBondContact CG2-CE1 3.48Å; I143-H226 WeakPolarHBondContact CG2-NE2 3.36Å
144	V	96.9	Very high	96.9	Very high	25 Å²	25	63.1 Å²	63.1	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.4	-176.2	-62.4	0	0	0	0	111	I142 S148 A150 L197 I223 Q224 V225 H226	I142-V144 HydrophobicContact CD1-CG1 4.12Å; V144-S148 WeakPolarHBondContact CB-OG 3.28Å; V144-A150 HydrophobicContact CG1-CB 4.39Å; V144-L197 HydrophobicContact CG2-CD2 3.9Å; V144-I223 HydrophobicContact CG2-CG2 4.45Å; V144-Q224 PolarHBondContact N-O 2.85Å; V144-V225 HydrophobicContact CG2-CG2 4.08Å; V144-V225 CarbonylContact O-C 3.5Å; V144-V225 WeakPolarHBondContact O-CA 3.42Å; V144-H226 PolarHBondContact O-N 3.37Å
145	K	97.1	Very high	97	Very high	135 Å²	135	62.6 Å²	62.6	59%	0.587	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	142.6	175.2	-173.2	177.9	176.9	178.3	0	110.6	G147 S148 H226 Y315	K145-G147 PolarHBondContact O-N 2.72Å; K145-S148 VanDerWaalsContact O-CB 3.23Å; K145-S148 WeakPolarHBondContact O-CB 3.47Å; K145-S148 PolarHBondContact O-N 2.83Å; K145-S148 PolarHBondContact O-OG 2.82Å; K145-H226 CarbonylContact C-O 3.47Å; K145-H226 WeakPolarHBondContact CA-O 3.41Å; K145-Y315 HydrophobicContact CD-CD1 4.44Å; K145-Y315 HydrophobicContact CG-CD1 4.27Å; K145-Y315 HydrophobicContact CG-CE1 4.42Å
146	E	96.2	Very high	97.1	Very high	66 Å²	66	57.9 Å²	57.9	31%	0.308	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.3	174.1	-175.5	159.7	-120.5	0	0	110.7	S148 L197 S198 R199 V225 H226 F227	E146-S148 VanDerWaalsContact C-N 3.34Å; E146-L197 CarbonylContact C-O 3.53Å; E146-L197 WeakPolarHBondContact CA-O 3.49Å; E146-S198 WeakPolarHBondContact OE1-CA 3.43Å; E146-R199 PolarHBondContact OE1-N 2.77Å; E146-R199 IonicContact OE1-NE 3.62Å; E146-R199 PolarHBondContact OE1-NE 2.91Å; E146-R199 IonicContact OE1-NH2 2.85Å; E146-R199 IonicContact OE2-CZ 2.7Å; E146-R199 IonicContact OE2-NH2 2.81Å; E146-R199 PolarHBondContact OE2-NH2 2.85Å; E146-V225 HydrophobicContact CB-CG1 3.75Å; E146-V225 HydrophobicContact CG-CG1 4.36Å; E146-H226 PolarHBondContact N-O 3.36Å; E146-F227 HydrophobicContact CB-CB 3.73Å; E146-F227 HydrophobicContact CG-CB 4.42Å; E146-F227 VanDerWaalsContact OE2-CB 3.26Å; E146-F227 WeakPolarHBondContact OE2-CB 3.25Å
147	G	95.2	Very high	97.1	Very high	45 Å²	45	53.3 Å²	53.3	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-8.8	-173.6	0	0	0	0	0	115.3	K145 L197	K145-G147 PolarHBondContact O-N 2.72Å; G147-L197 PolarHBondContact N-O 2.91Å
148	S	96.2	Very high	97	Very high	38 Å²	38	51.5 Å²	51.5	27%	0.266	29%	0.292	S	S	.	.			trans	-74.7	168.2	172.8	67.5	0	0	0	0	112.2	V144 K145 E146 K196 L197	V144-S148 WeakPolarHBondContact CB-OG 3.28Å; K145-S148 VanDerWaalsContact O-CB 3.23Å; K145-S148 WeakPolarHBondContact O-CB 3.47Å; K145-S148 PolarHBondContact O-N 2.83Å; K145-S148 PolarHBondContact O-OG 2.82Å; E146-S148 VanDerWaalsContact C-N 3.34Å; S148-K196 WeakPolarHBondContact O-CA 3.45Å; S148-K196 PolarHBondContact O-N 2.82Å; S148-L197 WeakPolarHBondContact O-CD1 3.22Å; S148-L197 PolarHBondContact O-N 3.4Å
149	N	95.8	Very high	96.9	Very high	92 Å²	92	52 Å²	52	49%	0.492	30%	0.296	S	S	.	.			trans	-103.1	151.9	172	-57.6	-19.8	0	0	0	109.4	L194 Y195 K196	N149-L194 CarbonylContact C-O 3.6Å; N149-L194 VanDerWaalsContact CA-O 3.29Å; N149-L194 WeakPolarHBondContact CA-O 3.37Å; N149-Y195 HydrophobicContact CB-CD1 4.44Å; N149-Y195 WeakPolarHBondContact OD1-CA 3.2Å; N149-K196 PolarHBondContact OD1-N 2.67Å
150	A	96.4	Very high	96.8	Very high	10 Å²	10	53.8 Å²	53.8	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.4	176.4	0	0	0	0	0	110.9	I142 V144 L194 L197	I142-A150 HydrophobicContact CD1-CB 3.8Å; V144-A150 HydrophobicContact CG1-CB 4.39Å; A150-L194 PolarHBondContact N-O 2.74Å; A150-L194 PolarHBondContact O-N 2.85Å; A150-L197 HydrophobicContact CB-CD1 4.02Å; A150-L197 HydrophobicContact CB-CD2 3.89Å
151	T	96.8	Very high	96.7	Very high	68 Å²	68	57.4 Å²	57.4	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.9	171.9	-58.6	0	0	0	0	109.1	N191 L192 V193	T151-N191 HydrophobicContact CG2-CB 4.07Å; T151-L192 CarbonylContact C-O 3.4Å; T151-L192 WeakPolarHBondContact CA-O 3.33Å; T151-V193 HydrophobicContact CG2-CG2 4.07Å
152	L	97.8	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.3	171.5	-43.1	-178.8	0	0	0	108.3	T139 I142 W166 N191 L192 Y205 V221 I223	T139-L152 HydrophobicContact CG2-CD2 4.1Å; I142-L152 HydrophobicContact CD1-CD2 3.62Å; I142-L152 HydrophobicContact CG1-CD2 4.38Å; L152-W166 HydrophobicContact CB-CH2 3.57Å; L152-W166 HydrophobicContact CB-CZ2 3.72Å; L152-W166 HydrophobicContact CB-CZ3 4.08Å; L152-W166 HydrophobicContact CD1-CE3 4.26Å; L152-W166 HydrophobicContact CD1-CH2 4.3Å; L152-W166 HydrophobicContact CD1-CZ3 3.95Å; L152-N191 CarbonylContact O-C 3.52Å; L152-N191 VanDerWaalsContact O-CA 3.29Å; L152-N191 WeakPolarHBondContact O-CA 3.01Å; L152-L192 HydrophobicContact CB-CB 4.29Å; L152-L192 HydrophobicContact CD1-CD2 4.03Å; L152-L192 PolarHBondContact N-O 2.9Å; L152-L192 PolarHBondContact O-N 2.92Å; L152-Y205 HydrophobicContact CD1-CD1 4.1Å; L152-Y205 HydrophobicContact CD1-CG 3.94Å; L152-V221 HydrophobicContact CD2-CG1 4.11Å; L152-I223 HydrophobicContact CD1-CD1 3.89Å; L152-I223 HydrophobicContact CD1-CG1 4.5Å; L152-I223 HydrophobicContact CD2-CD1 4.03Å; L152-I223 HydrophobicContact CD2-CG1 4.3Å; L152-I223 HydrophobicContact CG-CD1 4.38Å
153	T	98.2	Very high	96.7	Very high	36 Å²	36	56 Å²	56	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.9	-179.5	-69.5	0	0	0	0	109.3	T138 T139 V155 N191	T138-T153 CarbonylContact C-O 3.09Å; T138-T153 WeakPolarHBondContact CA-O 3.49Å; T138-T153 WeakPolarHBondContact CG2-O 3.44Å; T139-T153 PolarHBondContact N-O 2.89Å; T139-T153 PolarHBondContact OG1-N 3.39Å; T139-T153 PolarHBondContact OG1-O 2.89Å; T153-V155 HydrophobicContact CG2-CG2 3.84Å; T153-N191 WeakPolarHBondContact CA-OD1 3.26Å; T153-N191 VanDerWaalsContact CB-OD1 3.31Å; T153-N191 WeakPolarHBondContact CB-OD1 3.24Å; T153-N191 VanDerWaalsContact CG2-OD1 3.25Å; T153-N191 WeakPolarHBondContact CG2-OD1 3.44Å; T153-N191 PolarHBondContact OG1-OD1 3.36Å
154	C	98.3	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.			trans	-127	122.7	172	-173.1	0	0	0	0	110.5	T138 V164 W166 N190 C207	T138-C154 HydrophobicContact CG2-CB 4.27Å; C154-V164 HydrophobicContact CB-CG1 3.96Å; C154-W166 HydrophobicContact CB-CH2 4.08Å; C154-W166 HydrophobicContact CB-CZ2 3.46Å; C154-W166 VanDerWaalsContact CB-CZ2 3.46Å; C154-N190 PolarHBondContact N-O 2.89Å; C154-C207 HydrophobicContact CB-CB 3.6Å; C154-C207 WeakPolarHBondContact CB-SG 3.03Å; C154-C207 WeakPolarHBondContact SG-CB 3.38Å; C154-C207 CovalentContact SG-SG 2.02Å; C154-C207 PolarHBondContact SG-SG 3.05Å
155	V	97.9	Very high	96.8	Very high	45 Å²	45	50.5 Å²	50.5	27%	0.273	29%	0.286	S	S	.	.			trans	-114.5	118.1	-176.2	-176.1	0	0	0	0	107.8	I133 N134 T138 T153	I133-V155 WeakPolarHBondContact CA-O 3.4Å; N134-V155 HydrophobicContact CB-CB 4.34Å; N134-V155 HydrophobicContact CB-CG1 4.24Å; N134-V155 PolarHBondContact N-O 2.84Å; T138-V155 PolarHBondContact OG1-N 3.44Å; T138-V155 VanDerWaalsContact OG1-N 3.12Å; T153-V155 HydrophobicContact CG2-CG2 3.84Å
156	A	97.9	Very high	96.8	Very high	10 Å²	10	44 Å²	44	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.8	178.4	0	0	0	0	0	110.5	K132 I133 P162 V164 A209	K132-A156 CarbonylContact O-C 3.49Å; K132-A156 WeakPolarHBondContact O-CA 3.25Å; I133-A156 HydrophobicContact CG1-CB 4.12Å; A156-P162 HydrophobicContact CB-CB 4.28Å; A156-P162 HydrophobicContact CB-CG 4.38Å; A156-V164 HydrophobicContact CB-CG2 4.26Å; A156-A209 HydrophobicContact CB-CB 3.47Å; A156-A209 VanDerWaalsContact CB-CB 3.47Å
157	D	96.5	Very high	96.9	Very high	100 Å²	100	45.8 Å²	45.8	54%	0.535	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	156.1	175	-64.6	-49.7	0	0	0	109.6	P131 K132 P162	P131-D157 CarbonylContact C-O 3.6Å; P131-D157 WeakPolarHBondContact CA-O 3.49Å; K132-D157 PolarHBondContact N-O 2.82Å; K132-D157 PolarHBondContact O-N 2.81Å; D157-P162 WeakPolarHBondContact O-CG 3.14Å
158	G	95.7	Very high	97	Very high	27 Å²	27	44.5 Å²	44.5	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	168.2	-179.1	0	0	0	0	0	111.1	P160	G158-P160 CarbonylContact C-O 3.57Å; G158-P160 CarbonylContact O-C 3.54Å
159	S	95.1	Very high	97.1	Very high	16 Å²	16	48 Å²	48	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	112.5	177.5	-177.2	0	0	0	0	109.9	T126 V127 Q128 K129 N211	T126-S159 WeakPolarHBondContact CG2-OG 3.27Å; V127-S159 VanDerWaalsContact O-CB 3.31Å; V127-S159 WeakPolarHBondContact O-CB 3.13Å; V127-S159 PolarHBondContact O-OG 2.93Å; Q128-S159 CarbonylContact C-O 3.6Å; Q128-S159 VanDerWaalsContact CA-O 3.26Å; Q128-S159 WeakPolarHBondContact CA-O 3.45Å; K129-S159 PolarHBondContact N-O 3.16Å; K129-S159 PolarHBondContact O-N 2.03Å; K129-S159 VanDerWaalsContact O-N 3.07Å; K129-S159 VanDerWaalsContact O-O 3.05Å; S159-N211 PolarHBondContact N-ND2 2.97Å; S159-N211 PolarHBondContact O-ND2 3.39Å
160	P	94.8	Very high	97	Very high	64 Å²	64	48.1 Å²	48.1	42%	0.416	25%	0.254	S	S	.	.	S	Bend	cis	-61.3	166.9	-1	-22.3	35.1	0	0	0	113.8	G158 P162 N211	G158-P160 CarbonylContact C-O 3.57Å; G158-P160 CarbonylContact O-C 3.54Å; P160-P162 WeakPolarHBondContact O-CD 3.45Å; P160-N211 WeakPolarHBondContact O-CB 3.2Å; P160-N211 PolarHBondContact O-ND2 2.78Å
161	K	95.4	Very high	96.9	Very high	180 Å²	180	53.9 Å²	53.9	78%	0.783	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-56.8	124.2	179.2	-175.5	174.9	-178.4	177	0	110.4
162	P	97.5	Very high	96.8	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.071	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.1	144.2	-177.9	-21.6	33.1	0	0	0	113.8	P131 A156 D157 P160 A209 T210 N211	P131-P162 HydrophobicContact CB-CB 4.02Å; P131-P162 HydrophobicContact CB-CG 3.76Å; A156-P162 HydrophobicContact CB-CB 4.28Å; A156-P162 HydrophobicContact CB-CG 4.38Å; D157-P162 WeakPolarHBondContact O-CG 3.14Å; P160-P162 WeakPolarHBondContact O-CD 3.45Å; P162-A209 HydrophobicContact CB-CB 4.34Å; P162-T210 CarbonylContact C-O 3.55Å; P162-T210 WeakPolarHBondContact CA-O 3.04Å; P162-N211 HydrophobicContact CB-CB 4.32Å; P162-N211 HydrophobicContact CG-CB 4.29Å
163	I	98.2	Very high	96.6	Very high	103 Å²	103	56.7 Å²	56.7	53%	0.528	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.4	164.8	-60.3	173	0	0	0	107.5	Y188 T210	I163-Y188 HydrophobicContact CG2-CD1 4.04Å; I163-T210 PolarHBondContact N-O 2.85Å; I163-T210 PolarHBondContact O-N 3.25Å
164	V	98.2	Very high	96.4	Very high	3 Å²	3	55 Å²	55	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.2	177.2	170.7	0	0	0	0	109.9	C154 A156 K189 C207 L208 A209	C154-V164 HydrophobicContact CB-CG1 3.96Å; A156-V164 HydrophobicContact CB-CG2 4.26Å; V164-K189 PolarHBondContact O-N 3.16Å; V164-C207 VanDerWaalsContact CG1-SG 3.52Å; V164-L208 WeakPolarHBondContact CA-O 3.46Å; V164-A209 HydrophobicContact CG2-CB 4.49Å
165	S	97.7	Very high	96.1	Very high	11 Å²	11	57.5 Å²	57.5	8%	0.077	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.3	171.1	66	0	0	0	0	111.7	V187 C207 L208	S165-V187 CarbonylContact C-O 3.48Å; S165-V187 VanDerWaalsContact CA-O 3.32Å; S165-V187 WeakPolarHBondContact CA-O 3.08Å; S165-C207 CarbonylContact O-C 3.5Å; S165-C207 WeakPolarHBondContact O-CA 2.94Å; S165-L208 PolarHBondContact N-O 3.48Å; S165-L208 PolarHBondContact O-N 3.05Å
166	W	97.9	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.5	176.1	-70	91.9	0	0	0	110.6	L152 C154 I174 V186 V187 K189 N190 L192 I206 C207 V221	L152-W166 HydrophobicContact CB-CH2 3.57Å; L152-W166 HydrophobicContact CB-CZ2 3.72Å; L152-W166 HydrophobicContact CB-CZ3 4.08Å; L152-W166 HydrophobicContact CD1-CE3 4.26Å; L152-W166 HydrophobicContact CD1-CH2 4.3Å; L152-W166 HydrophobicContact CD1-CZ3 3.95Å; C154-W166 HydrophobicContact CB-CH2 4.08Å; C154-W166 HydrophobicContact CB-CZ2 3.46Å; C154-W166 VanDerWaalsContact CB-CZ2 3.46Å; W166-I174 HydrophobicContact CB-CD1 4.02Å; W166-I174 WeakPolarHBondContact O-CD1 3.39Å; W166-V186 CarbonylContact O-C 3.58Å; W166-V186 VanDerWaalsContact O-CA 3.29Å; W166-V186 WeakPolarHBondContact O-CA 3.42Å; W166-V187 PolarHBondContact N-O 3.25Å; W166-V187 PolarHBondContact O-N 3.15Å; W166-K189 PolarHBondContact NE1-O 2.82Å; W166-K189 VanDerWaalsContact NE1-O 3.09Å; W166-N190 PolarHBondContact NE1-O 2.91Å; W166-L192 HydrophobicContact CB-CD2 4.03Å; W166-L192 HydrophobicContact CD2-CB 4.19Å; W166-L192 HydrophobicContact CD2-CD2 4.34Å; W166-L192 HydrophobicContact CG-CB 3.97Å; W166-L192 HydrophobicContact CG-CD2 4.1Å; W166-I206 WeakPolarHBondContact CA-O 3.37Å; W166-C207 HydrophobicContact CD2-CB 4.18Å; W166-C207 HydrophobicContact CE3-CB 3.98Å; W166-C207 HydrophobicContact CH2-CB 3.83Å; W166-C207 HydrophobicContact CZ2-CB 4.05Å; W166-C207 HydrophobicContact CZ3-CB 3.79Å; W166-V221 HydrophobicContact CH2-CG2 4.11Å; W166-V221 HydrophobicContact CZ3-CB 4.49Å; W166-V221 HydrophobicContact CZ3-CG2 4.1Å
167	R	97.4	Very high	94.9	Very high	102 Å²	102	58.7 Å²	58.7	39%	0.385	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.6	170	63.4	179.5	178	177.6	-2.8	110.1	V186 I206	R167-V186 HydrophobicContact CB-CG2 4.45Å; R167-I206 HydrophobicContact CG-CB 4.06Å; R167-I206 PolarHBondContact N-O 2.8Å; R167-I206 PolarHBondContact O-N 3.41Å
168	R	97.6	Very high	94.2	Very high	18 Å²	18	56.9 Å²	56.9	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	143.3	168.1	-61.9	178.2	55	112.3	-2.8	110.4	D170 N171 I173 I174 Q200 M202 Y205	R168-D170 WeakPolarHBondContact CB-OD1 3.42Å; R168-D170 IonicContact CZ-OD1 3.01Å; R168-D170 IonicContact CZ-OD2 3.39Å; R168-D170 IonicContact NE-OD1 2.79Å; R168-D170 PolarHBondContact NE-OD1 3.24Å; R168-D170 IonicContact NE-OD2 3.01Å; R168-D170 PolarHBondContact NE-OD2 2.98Å; R168-D170 IonicContact NH2-OD1 3.53Å; R168-D170 IonicContact NH2-OD2 2.75Å; R168-D170 PolarHBondContact NH2-OD2 2.81Å; R168-D170 PolarHBondContact O-N 2.75Å; R168-N171 PolarHBondContact O-N 2.91Å; R168-N171 VanDerWaalsContact O-N 3.07Å; R168-I173 WeakPolarHBondContact CD-O 3.46Å; R168-I174 HydrophobicContact CG-CG1 3.83Å; R168-Q200 PolarHBondContact NH1-O 2.99Å; R168-M202 PolarHBondContact NH2-O 2.7Å; R168-Y205 HydrophobicContact CG-CD1 4.11Å; R168-Y205 HydrophobicContact CG-CE1 3.79Å; R168-Y205 HydrophobicContact CG-CE2 4.46Å; R168-Y205 PolarHBondContact NH1-OH 3.03Å
169	K	97.3	Very high	93	Very high	112 Å²	112	62.2 Å²	62.2	49%	0.487	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.4	177.7	-175.3	173.4	-177.3	177.9	0	113.1	N171 E204 I206	K169-N171 PolarHBondContact O-N 3.01Å; K169-E204 HydrophobicContact CB-CB 4.05Å; K169-E204 HydrophobicContact CB-CG 4.35Å; K169-E204 WeakPolarHBondContact CB-O 3.26Å; K169-E204 HydrophobicContact CD-CB 4.04Å; K169-E204 HydrophobicContact CD-CG 3.85Å; K169-E204 WeakPolarHBondContact CD-OE1 3.5Å; K169-E204 WeakPolarHBondContact CD-OE2 3.47Å; K169-E204 WeakPolarHBondContact CE-OE2 3.46Å; K169-E204 PolarHBondContact N-O 2.81Å; K169-E204 IonicContact NZ-OE1 3.88Å; K169-E204 PolarHBondContact NZ-OE1 2.54Å; K169-E204 IonicContact NZ-OE2 3.9Å; K169-E204 PolarHBondContact NZ-OE2 2.6Å; K169-I206 HydrophobicContact CB-CD1 3.8Å; K169-I206 HydrophobicContact CB-CG1 4.14Å; K169-I206 HydrophobicContact CD-CD1 4.48Å; K169-I206 HydrophobicContact CG-CD1 3.95Å
170	D	94.8	Very high	91.7	Very high	95 Å²	95	70.3 Å²	70.3	51%	0.508	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	5.8	174.8	61.6	6.1	0	0	0	113.3	R168 G172	R168-D170 WeakPolarHBondContact CB-OD1 3.42Å; R168-D170 IonicContact CZ-OD1 3.01Å; R168-D170 IonicContact CZ-OD2 3.39Å; R168-D170 IonicContact NE-OD1 2.79Å; R168-D170 PolarHBondContact NE-OD1 3.24Å; R168-D170 IonicContact NE-OD2 3.01Å; R168-D170 PolarHBondContact NE-OD2 2.98Å; R168-D170 IonicContact NH2-OD1 3.53Å; R168-D170 IonicContact NH2-OD2 2.75Å; R168-D170 PolarHBondContact NH2-OD2 2.81Å; R168-D170 PolarHBondContact O-N 2.75Å; D170-G172 PolarHBondContact O-N 3.08Å; D170-G172 VanDerWaalsContact O-N 3.13Å; D170-G172 WeakPolarHBondContact OD1-CA 3.35Å; D170-G172 PolarHBondContact OD1-N 3.45Å
171	N	94.6	Very high	90.1	Very high	131 Å²	131	68.7 Å²	68.7	70%	0.701	36%	0.359	S	S	*	.			trans	56.1	19.4	-171.9	-58.5	-38.5	0	0	0	113.8	R168 K169	R168-N171 PolarHBondContact O-N 2.91Å; R168-N171 VanDerWaalsContact O-N 3.07Å; K169-N171 PolarHBondContact O-N 3.01Å
172	G	93.6	Very high	88.8	Confident	24 Å²	24	70.1 Å²	70.1	25%	0.247	36%	0.361	C	S	.	.			trans	-69.6	164	172.6	0	0	0	0	0	112.2	D170	D170-G172 PolarHBondContact O-N 3.08Å; D170-G172 VanDerWaalsContact O-N 3.13Å; D170-G172 WeakPolarHBondContact OD1-CA 3.35Å; D170-G172 PolarHBondContact OD1-N 3.45Å
173	I	93.9	Very high	88.2	Confident	103 Å²	103	71.1 Å²	71.1	53%	0.528	37%	0.374	S	S	.	.			trans	-74.2	132.3	176.3	-60.8	176.3	0	0	0	109.4	R168 V175	R168-I173 WeakPolarHBondContact CD-O 3.46Å; I173-V175 HydrophobicContact CG2-CG2 4.36Å; I173-V175 PolarHBondContact O-N 2.96Å
174	I	94.9	Very high	87.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-77.6	107.3	168.2	-62.5	175.2	0	0	0	107.8	W166 R168 T176 G183 E184 V187 L192 L194 Y205	W166-I174 HydrophobicContact CB-CD1 4.02Å; W166-I174 WeakPolarHBondContact O-CD1 3.39Å; R168-I174 HydrophobicContact CG-CG1 3.83Å; I174-T176 HydrophobicContact CG2-CG2 4.36Å; I174-G183 CarbonylContact O-C 3.56Å; I174-G183 WeakPolarHBondContact O-CA 3.45Å; I174-E184 WeakPolarHBondContact CB-O 3.45Å; I174-E184 PolarHBondContact N-O 2.86Å; I174-E184 PolarHBondContact O-N 3.22Å; I174-V187 HydrophobicContact CB-CG2 4.18Å; I174-V187 HydrophobicContact CD1-CG2 4.08Å; I174-V187 HydrophobicContact CG2-CG2 4.13Å; I174-L192 HydrophobicContact CD1-CD2 4.25Å; I174-L192 HydrophobicContact CG2-CD1 3.88Å; I174-L192 HydrophobicContact CG2-CD2 4.03Å; I174-L194 HydrophobicContact CG2-CD2 4.13Å; I174-Y205 HydrophobicContact CD1-CD1 4.43Å; I174-Y205 HydrophobicContact CD1-CE1 4.47Å; I174-Y205 HydrophobicContact CG1-CD1 4.44Å; I174-Y205 HydrophobicContact CG1-CE1 4.05Å; I174-Y205 HydrophobicContact CG2-CE1 4.36Å
175	V	92.2	Very high	87.6	Confident	53 Å²	53	75 Å²	75	32%	0.321	40%	0.398	S	S	.	.			trans	-92.3	118.4	171.5	-175.2	0	0	0	0	108.1	I173 N177 H201	I173-V175 HydrophobicContact CG2-CG2 4.36Å; I173-V175 PolarHBondContact O-N 2.96Å; V175-N177 WeakPolarHBondContact CG1-OD1 3.37Å; V175-H201 PolarHBondContact O-CD2 3.32Å; V175-H201 PolarHBondContact O-NE2 2.87Å; V175-H201 VanDerWaalsContact O-NE2 3.16Å
176	T	87.6	Confident	87.5	Confident	13 Å²	13	76.7 Å²	76.7	8%	0.08	41%	0.408	C	S	.	.			trans	-87.9	-21.7	179.3	57.8	0	0	0	0	112.7	I174 E178 L192 L194 Y195	I174-T176 HydrophobicContact CG2-CG2 4.36Å; T176-E178 PolarHBondContact O-N 2.98Å; T176-E178 PolarHBondContact OG1-N 2.83Å; T176-L192 HydrophobicContact CG2-CD1 4.23Å; T176-L194 HydrophobicContact CG2-CD2 4.48Å; T176-Y195 WeakPolarHBondContact O-CD2 3.23Å; T176-Y195 PolarHBondContact O-N 2.91Å
177	N	82	Confident	87.3	Confident	67 Å²	67	77.1 Å²	77.1	36%	0.358	41%	0.41	S	S	.	.			trans	53.8	30.1	-168.6	-58	-42.2	0	0	0	113.5	V175 Y195 H201	V175-N177 WeakPolarHBondContact CG1-OD1 3.37Å; N177-Y195 WeakPolarHBondContact CB-O 3.47Å; N177-Y195 PolarHBondContact ND2-O 2.84Å; N177-H201 PolarHBondContact ND2-CE1 3.45Å; N177-H201 VanDerWaalsContact ND2-CE1 3.28Å; N177-H201 PolarHBondContact ND2-NE2 3.28Å
178	E	81.3	Confident	87.2	Confident	61 Å²	61	80 Å²	80	29%	0.285	42%	0.422	S	S	.	.			trans	-67.9	151	168.7	-75.4	177.5	171.2	0	0	110.3	T176 E180 G181 Y195	T176-E178 PolarHBondContact O-N 2.98Å; T176-E178 PolarHBondContact OG1-N 2.83Å; E178-E180 PolarHBondContact O-N 3.02Å; E178-E180 VanDerWaalsContact O-N 3.08Å; E178-G181 PolarHBondContact O-N 3.05Å; E178-Y195 HydrophobicContact CG-CD2 3.66Å; E178-Y195 HydrophobicContact CG-CE2 3.5Å; E178-Y195 VanDerWaalsContact CG-CE2 3.5Å
179	P	70.8	Confident	87.1	Confident	140 Å²	140	84.1 Å²	84.1	91%	0.909	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	178.7	-25.6	34.3	0	0	0	114.2
180	E	67.6	Low	87	Confident	185 Å²	185	82.5 Å²	82.5	86%	0.864	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-5.5	-179	-61.3	176.2	-178.5	0	0	112.8	E178	E178-E180 PolarHBondContact O-N 3.02Å; E178-E180 VanDerWaalsContact O-N 3.08Å
181	G	61.2	Low	87	Confident	31 Å²	31	81.7 Å²	81.7	32%	0.32	43%	0.433	S	S	.	.			trans	-91	113.4	-158.8	0	0	0	0	0	114.6	E178	E178-G181 PolarHBondContact O-N 3.05Å
182	Y	69	Low	87.1	Confident	209 Å²	209	75.6 Å²	75.6	82%	0.82	40%	0.4	S	S	*	.			trans	-70.4	156.8	151.1	-73.9	-88.7	0	0	0	109.8
183	G	84.5	Confident	87.1	Confident	33 Å²	33	76.3 Å²	76.3	34%	0.34	40%	0.4	S	S	.	.			trans	-77	143.4	171.8	0	0	0	0	0	111.7	I174	I174-G183 CarbonylContact O-C 3.56Å; I174-G183 WeakPolarHBondContact O-CA 3.45Å
184	E	90.7	Very high	87.2	Confident	107 Å²	107	71.4 Å²	71.4	50%	0.5	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-120.3	148.8	179.2	-67.8	176	-149	0	0	111.1	I174 V186 V187	I174-E184 WeakPolarHBondContact CB-O 3.45Å; I174-E184 PolarHBondContact N-O 2.86Å; I174-E184 PolarHBondContact O-N 3.22Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-V187 HydrophobicContact CB-CG2 4.07Å
185	S	93.3	Very high	87.1	Confident	80 Å²	80	75.4 Å²	75.4	56%	0.559	39%	0.39	S	S	*	.	S	Bend	trans	-73.4	-29.2	174.3	57.3	0	0	0	0	112.6
186	V	94.9	Very high	87.2	Confident	46 Å²	46	80.3 Å²	80.3	28%	0.279	41%	0.407	S	S	.	.	S	Bend	trans	-140.8	128.3	-179.7	-177.7	0	0	0	0	109.3	W166 R167 E184 Y188	W166-V186 CarbonylContact O-C 3.58Å; W166-V186 VanDerWaalsContact O-CA 3.29Å; W166-V186 WeakPolarHBondContact O-CA 3.42Å; R167-V186 HydrophobicContact CB-CG2 4.45Å; E184-V186 VanDerWaalsContact C-N 3.34Å; V186-Y188 HydrophobicContact CB-CE2 4.44Å; V186-Y188 HydrophobicContact CG1-CD2 4.36Å; V186-Y188 HydrophobicContact CG1-CE1 4.48Å; V186-Y188 HydrophobicContact CG1-CE2 3.82Å
187	V	94.8	Very high	87.6	Confident	9 Å²	9	79.7 Å²	79.7	6%	0.055	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-115.5	119.8	-179.9	179.1	0	0	0	0	110.3	S165 W166 I174 E184 K189 L192	S165-V187 CarbonylContact C-O 3.48Å; S165-V187 VanDerWaalsContact CA-O 3.32Å; S165-V187 WeakPolarHBondContact CA-O 3.08Å; W166-V187 PolarHBondContact N-O 3.25Å; W166-V187 PolarHBondContact O-N 3.15Å; I174-V187 HydrophobicContact CB-CG2 4.18Å; I174-V187 HydrophobicContact CD1-CG2 4.08Å; I174-V187 HydrophobicContact CG2-CG2 4.13Å; E184-V187 HydrophobicContact CB-CG2 4.07Å; V187-K189 HydrophobicContact CG1-CB 4.34Å; V187-K189 HydrophobicContact CG1-CD 4.19Å; V187-K189 HydrophobicContact CG1-CG 4.11Å; V187-K189 PolarHBondContact O-N 3.22Å; V187-L192 HydrophobicContact CB-CD1 4.41Å; V187-L192 HydrophobicContact CG1-CD1 4.18Å; V187-L192 HydrophobicContact CG2-CD1 4.44Å
188	Y	95.4	Very high	88.2	Confident	163 Å²	163	77.9 Å²	77.9	64%	0.639	40%	0.396	S	S	*	.			trans	-90.5	73.8	-178	-66.8	-89.1	0	0	0	112.3	I163 V186	I163-Y188 HydrophobicContact CG2-CD1 4.04Å; V186-Y188 HydrophobicContact CB-CE2 4.44Å; V186-Y188 HydrophobicContact CG1-CD2 4.36Å; V186-Y188 HydrophobicContact CG1-CE1 4.48Å; V186-Y188 HydrophobicContact CG1-CE2 3.82Å
189	K	94.5	Very high	88.7	Confident	105 Å²	105	76.6 Å²	76.6	46%	0.457	39%	0.389	S	S	.	.			trans	-143.8	142.4	176.9	-64.4	-179	-178.6	174	0	110	V164 W166 V187 N191	V164-K189 PolarHBondContact O-N 3.16Å; W166-K189 PolarHBondContact NE1-O 2.82Å; W166-K189 VanDerWaalsContact NE1-O 3.09Å; V187-K189 HydrophobicContact CG1-CB 4.34Å; V187-K189 HydrophobicContact CG1-CD 4.19Å; V187-K189 HydrophobicContact CG1-CG 4.11Å; V187-K189 PolarHBondContact O-N 3.22Å; K189-N191 VanDerWaalsContact C-N 3.28Å; K189-N191 WeakPolarHBondContact CB-O 3.47Å; K189-N191 PolarHBondContact O-N 2.95Å
190	N	95.3	Very high	89.7	Confident	78 Å²	78	77 Å²	77	42%	0.417	38%	0.379	S	S	.	.	S	Bend	trans	-62.6	-38.3	171.8	-72.5	49	0	0	0	111.8	C154 W166	C154-N190 PolarHBondContact N-O 2.89Å; W166-N190 PolarHBondContact NE1-O 2.91Å
191	N	96.2	Very high	90.9	Very high	78 Å²	78	68.5 Å²	68.5	42%	0.417	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.7	177.5	-64.5	-27.7	0	0	0	109.7	T151 L152 T153 K189	T151-N191 HydrophobicContact CG2-CB 4.07Å; L152-N191 CarbonylContact O-C 3.52Å; L152-N191 VanDerWaalsContact O-CA 3.29Å; L152-N191 WeakPolarHBondContact O-CA 3.01Å; T153-N191 WeakPolarHBondContact CA-OD1 3.26Å; T153-N191 VanDerWaalsContact CB-OD1 3.31Å; T153-N191 WeakPolarHBondContact CB-OD1 3.24Å; T153-N191 VanDerWaalsContact CG2-OD1 3.25Å; T153-N191 WeakPolarHBondContact CG2-OD1 3.44Å; T153-N191 PolarHBondContact OG1-OD1 3.36Å; K189-N191 VanDerWaalsContact C-N 3.28Å; K189-N191 WeakPolarHBondContact CB-O 3.47Å; K189-N191 PolarHBondContact O-N 2.95Å
192	L	95.4	Very high	92.5	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.5	170.1	176	61.3	0	0	0	109	T151 L152 W166 I174 T176 V187 L194 Y205	T151-L192 CarbonylContact C-O 3.4Å; T151-L192 WeakPolarHBondContact CA-O 3.33Å; L152-L192 HydrophobicContact CB-CB 4.29Å; L152-L192 HydrophobicContact CD1-CD2 4.03Å; L152-L192 PolarHBondContact N-O 2.9Å; L152-L192 PolarHBondContact O-N 2.92Å; W166-L192 HydrophobicContact CB-CD2 4.03Å; W166-L192 HydrophobicContact CD2-CB 4.19Å; W166-L192 HydrophobicContact CD2-CD2 4.34Å; W166-L192 HydrophobicContact CG-CB 3.97Å; W166-L192 HydrophobicContact CG-CD2 4.1Å; I174-L192 HydrophobicContact CD1-CD2 4.25Å; I174-L192 HydrophobicContact CG2-CD1 3.88Å; I174-L192 HydrophobicContact CG2-CD2 4.03Å; T176-L192 HydrophobicContact CG2-CD1 4.23Å; V187-L192 HydrophobicContact CB-CD1 4.41Å; V187-L192 HydrophobicContact CG1-CD1 4.18Å; V187-L192 HydrophobicContact CG2-CD1 4.44Å; L192-L194 HydrophobicContact CD1-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CD2 4.23Å; L192-L194 HydrophobicContact CD2-CG 4.49Å; L192-L194 HydrophobicContact CG-CD2 4Å; L192-L194 HydrophobicContact CG-CG 4.16Å; L192-Y205 HydrophobicContact CD2-CD1 3.85Å; L192-Y205 HydrophobicContact CD2-CE1 4.06Å
193	V	94.3	Very high	93.8	Very high	39 Å²	39	59.7 Å²	59.7	24%	0.236	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.6	175.8	-169.7	0	0	0	0	109	T151 Y195	T151-V193 HydrophobicContact CG2-CG2 4.07Å; V193-Y195 HydrophobicContact CB-CE2 4.17Å; V193-Y195 HydrophobicContact CG1-CD2 4.27Å; V193-Y195 HydrophobicContact CG1-CE1 4.05Å; V193-Y195 HydrophobicContact CG1-CE2 3.57Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.46Å
194	L	94.8	Very high	94.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.2	179.7	-61.5	175.8	0	0	0	108.1	N149 A150 I174 T176 L192 L197 Y205 I223	N149-L194 CarbonylContact C-O 3.6Å; N149-L194 VanDerWaalsContact CA-O 3.29Å; N149-L194 WeakPolarHBondContact CA-O 3.37Å; A150-L194 PolarHBondContact N-O 2.74Å; A150-L194 PolarHBondContact O-N 2.85Å; I174-L194 HydrophobicContact CG2-CD2 4.13Å; T176-L194 HydrophobicContact CG2-CD2 4.48Å; L192-L194 HydrophobicContact CD1-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CD2 4.23Å; L192-L194 HydrophobicContact CD2-CG 4.49Å; L192-L194 HydrophobicContact CG-CD2 4Å; L192-L194 HydrophobicContact CG-CG 4.16Å; L194-L197 HydrophobicContact CB-CD1 3.57Å; L194-L197 HydrophobicContact CB-CD2 4.37Å; L194-L197 HydrophobicContact CB-CG 4.08Å; L194-L197 HydrophobicContact CD1-CD2 4.31Å; L194-L197 WeakPolarHBondContact O-CD1 3.34Å; L194-Y205 HydrophobicContact CD1-CE1 4.4Å; L194-I223 HydrophobicContact CD1-CD1 3.63Å
195	Y	93.9	Very high	94.7	Very high	84 Å²	84	56.1 Å²	56.1	33%	0.329	28%	0.278	S	S	.	.			trans	-104.8	147.2	-179	-63	-85.5	0	0	0	111.3	N149 T176 N177 E178 V193 L197	N149-Y195 HydrophobicContact CB-CD1 4.44Å; N149-Y195 WeakPolarHBondContact OD1-CA 3.2Å; T176-Y195 WeakPolarHBondContact O-CD2 3.23Å; T176-Y195 PolarHBondContact O-N 2.91Å; N177-Y195 WeakPolarHBondContact CB-O 3.47Å; N177-Y195 PolarHBondContact ND2-O 2.84Å; E178-Y195 HydrophobicContact CG-CD2 3.66Å; E178-Y195 HydrophobicContact CG-CE2 3.5Å; E178-Y195 VanDerWaalsContact CG-CE2 3.5Å; V193-Y195 HydrophobicContact CB-CE2 4.17Å; V193-Y195 HydrophobicContact CG1-CD2 4.27Å; V193-Y195 HydrophobicContact CG1-CE1 4.05Å; V193-Y195 HydrophobicContact CG1-CE2 3.57Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.46Å; Y195-L197 VanDerWaalsContact C-N 3.33Å; Y195-L197 PolarHBondContact O-N 2.83Å
196	K	94	Very high	95	Very high	156 Å²	156	53.5 Å²	53.5	68%	0.678	26%	0.257	S	S	*	.	S	Bend	trans	44.6	54.7	174.2	-62.1	-177.9	179.5	177.6	0	112.8	S148 N149 S198	S148-K196 WeakPolarHBondContact O-CA 3.45Å; S148-K196 PolarHBondContact O-N 2.82Å; N149-K196 PolarHBondContact OD1-N 2.67Å; K196-S198 PolarHBondContact O-N 3.4Å
197	L	95.5	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.244	C	C	.	.			trans	-57.7	128.8	-173	-81.7	76.5	0	0	0	110.9	V144 E146 G147 S148 A150 L194 Y195 H201 I223 V225	V144-L197 HydrophobicContact CG2-CD2 3.9Å; E146-L197 CarbonylContact C-O 3.53Å; E146-L197 WeakPolarHBondContact CA-O 3.49Å; G147-L197 PolarHBondContact N-O 2.91Å; S148-L197 WeakPolarHBondContact O-CD1 3.22Å; S148-L197 PolarHBondContact O-N 3.4Å; A150-L197 HydrophobicContact CB-CD1 4.02Å; A150-L197 HydrophobicContact CB-CD2 3.89Å; L194-L197 HydrophobicContact CB-CD1 3.57Å; L194-L197 HydrophobicContact CB-CD2 4.37Å; L194-L197 HydrophobicContact CB-CG 4.08Å; L194-L197 HydrophobicContact CD1-CD2 4.31Å; L194-L197 WeakPolarHBondContact O-CD1 3.34Å; Y195-L197 VanDerWaalsContact C-N 3.33Å; Y195-L197 PolarHBondContact O-N 2.83Å; L197-H201 HydrophobicContact CB-CB 4.42Å; L197-H201 HydrophobicContact CD2-CB 4.36Å; L197-H201 HydrophobicContact CG-CB 4.22Å; L197-I223 HydrophobicContact CD2-CG2 4.03Å; L197-V225 HydrophobicContact CB-CG2 4.27Å; L197-V225 HydrophobicContact CD2-CG2 4.4Å
198	S	94.1	Very high	95.3	Very high	30 Å²	30	52.5 Å²	52.5	21%	0.21	25%	0.25	C	S	.	.			trans	-104.6	168.4	171.7	73.7	0	0	0	0	111.4	E146 K196 Q200 H201	E146-S198 WeakPolarHBondContact OE1-CA 3.43Å; K196-S198 PolarHBondContact O-N 3.4Å; S198-Q200 PolarHBondContact O-N 2.66Å; S198-Q200 PolarHBondContact OG-N 3.45Å; S198-H201 PolarHBondContact N-ND1 2.83Å; S198-H201 WeakPolarHBondContact O-CB 3.33Å; S198-H201 PolarHBondContact O-N 2.91Å; S198-H201 PolarHBondContact O-ND1 2.84Å; S198-H201 PolarHBondContact OG-CE1 2.88Å; S198-H201 PolarHBondContact OG-ND1 3.5Å
199	R	92.4	Very high	95.4	Very high	33 Å²	33	44.8 Å²	44.8	13%	0.125	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-52.3	-21.1	172.4	71.3	-164.9	66.5	-164.5	-10	115.4	E146 H201 M202 F227 E253 Y288	E146-R199 PolarHBondContact OE1-N 2.77Å; E146-R199 IonicContact OE1-NE 3.62Å; E146-R199 PolarHBondContact OE1-NE 2.91Å; E146-R199 IonicContact OE1-NH2 2.85Å; E146-R199 IonicContact OE2-CZ 2.7Å; E146-R199 IonicContact OE2-NH2 2.81Å; E146-R199 PolarHBondContact OE2-NH2 2.85Å; R199-H201 VanDerWaalsContact C-N 3.27Å; R199-H201 PolarHBondContact O-N 2.81Å; R199-M202 HydrophobicContact CB-SD 4.44Å; R199-M202 WeakPolarHBondContact O-CB 3.4Å; R199-M202 WeakPolarHBondContact O-CG 3.35Å; R199-M202 PolarHBondContact O-N 2.78Å; R199-F227 HydrophobicContact CB-CD1 4.29Å; R199-F227 HydrophobicContact CB-CE1 3.54Å; R199-F227 HydrophobicContact CB-CZ 3.89Å; R199-E253 IonicContact CZ-OE2 2.74Å; R199-E253 IonicContact NH1-OE2 2.9Å; R199-E253 PolarHBondContact NH1-OE2 3.23Å; R199-Y288 HydrophobicContact CB-CE1 4.33Å; R199-Y288 HydrophobicContact CG-CE1 4.28Å; R199-Y288 HydrophobicContact CG-CE2 4.42Å
200	Q	91	Very high	95.6	Very high	149 Å²	149	41.4 Å²	41.4	70%	0.696	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-71.7	-21.7	175	-60.9	175.4	-6.9	0	0	112.9	R168 S198 M202	R168-Q200 PolarHBondContact NH1-O 2.99Å; S198-Q200 PolarHBondContact O-N 2.66Å; S198-Q200 PolarHBondContact OG-N 3.45Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 3.47Å
201	H	94.3	Very high	95.6	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.032	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-80.4	-8.5	176.2	-58.5	74.6	0	0	0	112.1	V175 N177 L197 S198 R199 Y205	V175-H201 PolarHBondContact O-CD2 3.32Å; V175-H201 PolarHBondContact O-NE2 2.87Å; V175-H201 VanDerWaalsContact O-NE2 3.16Å; N177-H201 PolarHBondContact ND2-CE1 3.45Å; N177-H201 VanDerWaalsContact ND2-CE1 3.28Å; N177-H201 PolarHBondContact ND2-NE2 3.28Å; L197-H201 HydrophobicContact CB-CB 4.42Å; L197-H201 HydrophobicContact CD2-CB 4.36Å; L197-H201 HydrophobicContact CG-CB 4.22Å; S198-H201 PolarHBondContact N-ND1 2.83Å; S198-H201 WeakPolarHBondContact O-CB 3.33Å; S198-H201 PolarHBondContact O-N 2.91Å; S198-H201 PolarHBondContact O-ND1 2.84Å; S198-H201 PolarHBondContact OG-CE1 2.88Å; S198-H201 PolarHBondContact OG-ND1 3.5Å; R199-H201 VanDerWaalsContact C-N 3.27Å; R199-H201 PolarHBondContact O-N 2.81Å; H201-Y205 WeakPolarHBondContact O-CE2 3.47Å; H201-Y205 PolarHBondContact O-OH 2.68Å
202	M	94.7	Very high	95.6	Very high	31 Å²	31	37.9 Å²	37.9	15%	0.153	20%	0.204	C	C	.	.			trans	-62.1	142.5	172.3	-65.5	179.8	74.7	0	0	110.3	R168 R199 Q200 I223 V225 F227 W255	R168-M202 PolarHBondContact NH2-O 2.7Å; R199-M202 HydrophobicContact CB-SD 4.44Å; R199-M202 WeakPolarHBondContact O-CB 3.4Å; R199-M202 WeakPolarHBondContact O-CG 3.35Å; R199-M202 PolarHBondContact O-N 2.78Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 3.47Å; M202-I223 WeakPolarHBondContact CA-O 3.37Å; M202-V225 HydrophobicContact CG-CB 3.66Å; M202-V225 HydrophobicContact CG-CG2 3.74Å; M202-V225 HydrophobicContact SD-CB 4.2Å; M202-F227 HydrophobicContact SD-CE1 4.35Å; M202-W255 HydrophobicContact CE-CD2 4.16Å; M202-W255 HydrophobicContact CE-CG 3.9Å
203	G	95	Very high	95.5	Very high	24 Å²	24	39.5 Å²	39.5	25%	0.247	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-169.4	-179.4	0	0	0	0	0	112.2	K222 I223	G203-K222 WeakPolarHBondContact O-CA 3.39Å; G203-I223 PolarHBondContact N-O 3.35Å; G203-I223 PolarHBondContact O-N 3.48Å
204	E	97.6	Very high	95.6	Very high	63 Å²	63	43.7 Å²	43.7	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124	-180	-170.6	175.5	164.4	0	0	108.7	K169 S220	K169-E204 HydrophobicContact CB-CB 4.05Å; K169-E204 HydrophobicContact CB-CG 4.35Å; K169-E204 WeakPolarHBondContact CB-O 3.26Å; K169-E204 HydrophobicContact CD-CB 4.04Å; K169-E204 HydrophobicContact CD-CG 3.85Å; K169-E204 WeakPolarHBondContact CD-OE1 3.5Å; K169-E204 WeakPolarHBondContact CD-OE2 3.47Å; K169-E204 WeakPolarHBondContact CE-OE2 3.46Å; K169-E204 PolarHBondContact N-O 2.81Å; K169-E204 IonicContact NZ-OE1 3.88Å; K169-E204 PolarHBondContact NZ-OE1 2.54Å; K169-E204 IonicContact NZ-OE2 3.9Å; K169-E204 PolarHBondContact NZ-OE2 2.6Å; E204-S220 WeakPolarHBondContact CG-OG 3.09Å; E204-S220 WeakPolarHBondContact OE1-CB 3.18Å; E204-S220 PolarHBondContact OE1-OG 2.94Å
205	Y	98.1	Very high	95.7	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.3	-179	-73.1	-109.7	0	0	0	108.8	L152 R168 I174 L192 L194 H201 S220 V221 I223	L152-Y205 HydrophobicContact CD1-CD1 4.1Å; L152-Y205 HydrophobicContact CD1-CG 3.94Å; R168-Y205 HydrophobicContact CG-CD1 4.11Å; R168-Y205 HydrophobicContact CG-CE1 3.79Å; R168-Y205 HydrophobicContact CG-CE2 4.46Å; R168-Y205 PolarHBondContact NH1-OH 3.03Å; I174-Y205 HydrophobicContact CD1-CD1 4.43Å; I174-Y205 HydrophobicContact CD1-CE1 4.47Å; I174-Y205 HydrophobicContact CG1-CD1 4.44Å; I174-Y205 HydrophobicContact CG1-CE1 4.05Å; I174-Y205 HydrophobicContact CG2-CE1 4.36Å; L192-Y205 HydrophobicContact CD2-CD1 3.85Å; L192-Y205 HydrophobicContact CD2-CE1 4.06Å; L194-Y205 HydrophobicContact CD1-CE1 4.4Å; H201-Y205 WeakPolarHBondContact O-CE2 3.47Å; H201-Y205 PolarHBondContact O-OH 2.68Å; Y205-S220 CarbonylContact O-C 3.57Å; Y205-S220 WeakPolarHBondContact O-CA 3.08Å; Y205-V221 PolarHBondContact N-O 2.81Å; Y205-V221 PolarHBondContact O-N 2.8Å; Y205-I223 HydrophobicContact CD2-CD1 3.61Å; Y205-I223 HydrophobicContact CD2-CG1 3.82Å; Y205-I223 HydrophobicContact CE2-CB 4.39Å; Y205-I223 HydrophobicContact CE2-CD1 3.46Å; Y205-I223 VanDerWaalsContact CE2-CD1 3.46Å; Y205-I223 HydrophobicContact CE2-CG1 3.97Å; Y205-I223 HydrophobicContact CG-CD1 4.28Å
206	I	98.3	Very high	95.8	Very high	25 Å²	25	48 Å²	48	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120	-178.6	-59.3	173.4	0	0	0	108.1	W166 R167 K169 W219	W166-I206 WeakPolarHBondContact CA-O 3.37Å; R167-I206 HydrophobicContact CG-CB 4.06Å; R167-I206 PolarHBondContact N-O 2.8Å; R167-I206 PolarHBondContact O-N 3.41Å; K169-I206 HydrophobicContact CB-CD1 3.8Å; K169-I206 HydrophobicContact CB-CG1 4.14Å; K169-I206 HydrophobicContact CD-CD1 4.48Å; K169-I206 HydrophobicContact CG-CD1 3.95Å; I206-W219 CarbonylContact C-O 3.58Å; I206-W219 WeakPolarHBondContact CA-O 3.36Å
207	C	97.8	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131	159.8	170	0	0	0	0	108.9	C154 V164 S165 W166 S218 W219	C154-C207 HydrophobicContact CB-CB 3.6Å; C154-C207 WeakPolarHBondContact CB-SG 3.03Å; C154-C207 WeakPolarHBondContact SG-CB 3.38Å; C154-C207 CovalentContact SG-SG 2.02Å; C154-C207 PolarHBondContact SG-SG 3.05Å; V164-C207 VanDerWaalsContact CG1-SG 3.52Å; S165-C207 CarbonylContact O-C 3.5Å; S165-C207 WeakPolarHBondContact O-CA 2.94Å; W166-C207 HydrophobicContact CD2-CB 4.18Å; W166-C207 HydrophobicContact CE3-CB 3.98Å; W166-C207 HydrophobicContact CH2-CB 3.83Å; W166-C207 HydrophobicContact CZ2-CB 4.05Å; W166-C207 HydrophobicContact CZ3-CB 3.79Å; C207-S218 CarbonylContact O-C 3.58Å; C207-S218 WeakPolarHBondContact O-CA 3.36Å; C207-S218 WeakPolarHBondContact O-CB 3.16Å; C207-W219 HydrophobicContact CB-CB 4.46Å; C207-W219 PolarHBondContact N-O 3.02Å; C207-W219 PolarHBondContact O-N 3.28Å
208	L	98.1	Very high	96.1	Very high	35 Å²	35	46.2 Å²	46.2	18%	0.183	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.5	170.1	-178.3	69.9	0	0	0	109.1	V164 S165 E216	V164-L208 WeakPolarHBondContact CA-O 3.46Å; S165-L208 PolarHBondContact N-O 3.48Å; S165-L208 PolarHBondContact O-N 3.05Å; L208-E216 HydrophobicContact CD1-CB 4.22Å
209	A	98.5	Very high	96.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.3	174.3	0	0	0	0	0	110	P131 I133 A156 P162 V164 E217	P131-A209 HydrophobicContact CB-CB 4.04Å; P131-A209 VanDerWaalsContact CG-O 3.23Å; P131-A209 WeakPolarHBondContact CG-O 3.32Å; I133-A209 HydrophobicContact CD1-CB 4.25Å; I133-A209 HydrophobicContact CG1-CB 4Å; A156-A209 HydrophobicContact CB-CB 3.47Å; A156-A209 VanDerWaalsContact CB-CB 3.47Å; P162-A209 HydrophobicContact CB-CB 4.34Å; V164-A209 HydrophobicContact CG2-CB 4.49Å; A209-E217 PolarHBondContact N-O 2.85Å; A209-E217 PolarHBondContact O-N 2.97Å
210	T	97.8	Very high	96.5	Very high	34 Å²	34	47.8 Å²	47.8	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.6	-179.7	-175.2	0	0	0	0	111.3	P162 I163 E216	P162-T210 CarbonylContact C-O 3.55Å; P162-T210 WeakPolarHBondContact CA-O 3.04Å; I163-T210 PolarHBondContact N-O 2.85Å; I163-T210 PolarHBondContact O-N 3.25Å; T210-E216 VanDerWaalsContact CB-OE1 3.3Å; T210-E216 WeakPolarHBondContact CB-OE1 3.29Å; T210-E216 PolarHBondContact OG1-OE1 2.93Å
211	N	96.1	Very high	96.9	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.112	24%	0.237	C	C	.	.	S	Bend	trans	-129.2	18.3	171.3	67.2	-2.4	0	0	0	112.1	K129 P131 S159 P160 P162 I213	K129-N211 PolarHBondContact O-ND2 2.93Å; P131-N211 WeakPolarHBondContact CD-OD1 3.2Å; S159-N211 PolarHBondContact N-ND2 2.97Å; S159-N211 PolarHBondContact O-ND2 3.39Å; P160-N211 WeakPolarHBondContact O-CB 3.2Å; P160-N211 PolarHBondContact O-ND2 2.78Å; P162-N211 HydrophobicContact CB-CB 4.32Å; P162-N211 HydrophobicContact CG-CB 4.29Å; N211-I213 PolarHBondContact O-N 2.86Å; N211-I213 WeakPolarHBondContact OD1-CA 3.18Å; N211-I213 VanDerWaalsContact OD1-CB 3.24Å; N211-I213 WeakPolarHBondContact OD1-CB 3.47Å; N211-I213 PolarHBondContact OD1-N 2.96Å; N211-I213 PolarHBondContact OD1-O 3.23Å
212	G	95.4	Very high	97	Very high	62 Å²	62	45 Å²	45	64%	0.639	26%	0.255	S	S	*	.	S	Bend	trans	78.2	-7.1	-174	0	0	0	0	0	114.9
213	I	94.9	Very high	97.2	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.179	25%	0.248	C	C	.	.	S	Bend	trans	-101.3	128.5	176.5	-48.2	-55.8	0	0	0	109.3	Q128 P130 P131 N211	Q128-I213 HydrophobicContact CB-CD1 4.46Å; Q128-I213 HydrophobicContact CB-CG1 4.41Å; P130-I213 HydrophobicContact CB-CG2 4.35Å; P131-I213 VanDerWaalsContact CD-O 3.27Å; P131-I213 WeakPolarHBondContact CD-O 3.32Å; N211-I213 PolarHBondContact O-N 2.86Å; N211-I213 WeakPolarHBondContact OD1-CA 3.18Å; N211-I213 VanDerWaalsContact OD1-CB 3.24Å; N211-I213 WeakPolarHBondContact OD1-CB 3.47Å; N211-I213 PolarHBondContact OD1-N 2.96Å; N211-I213 PolarHBondContact OD1-O 3.23Å
214	Q	95.2	Very high	97.2	Very high	128 Å²	128	44.6 Å²	44.6	60%	0.598	25%	0.247	S	C	*	.	S	Bend	trans	-85.2	150.8	-178.8	-66	-61.9	-33.5	0	0	111.9
215	P	96.2	Very high	97.2	Very high	92 Å²	92	41.6 Å²	41.6	60%	0.597	23%	0.233	S	C	*	.	S	Bend	cis	-78.7	146.7	-3.8	32.5	-34.7	0	0	0	112.6	P131	P131-P215 WeakPolarHBondContact CD-O 3.18Å
216	E	97.2	Very high	97.2	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.379	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-65.1	148.9	163.3	-61	-174.5	162.8	0	0	110.7	L208 T210	L208-E216 HydrophobicContact CD1-CB 4.22Å; T210-E216 VanDerWaalsContact CB-OE1 3.3Å; T210-E216 WeakPolarHBondContact CB-OE1 3.29Å; T210-E216 PolarHBondContact OG1-OE1 2.93Å
217	E	97.8	Very high	97.2	Very high	50 Å²	50	41.3 Å²	41.3	23%	0.234	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.9	175.8	-166.4	170.1	-174.2	0	0	110.9	K132 I133 A209	K132-E217 WeakPolarHBondContact CA-OE2 3.36Å; I133-E217 HydrophobicContact CB-CG 4.32Å; I133-E217 HydrophobicContact CD1-CB 4.32Å; I133-E217 HydrophobicContact CD1-CG 4.08Å; I133-E217 HydrophobicContact CG1-CB 4.19Å; I133-E217 HydrophobicContact CG1-CG 4.06Å; I133-E217 PolarHBondContact N-OE2 2.85Å; A209-E217 PolarHBondContact N-O 2.85Å; A209-E217 PolarHBondContact O-N 2.97Å
218	S	97.7	Very high	97.1	Very high	70 Å²	70	42.4 Å²	42.4	49%	0.49	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.6	177.2	64	0	0	0	0	112	C207	C207-S218 CarbonylContact O-C 3.58Å; C207-S218 WeakPolarHBondContact O-CA 3.36Å; C207-S218 WeakPolarHBondContact O-CB 3.16Å
219	W	98	Very high	97.1	Very high	54 Å²	54	41.4 Å²	41.4	21%	0.205	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.1	178.3	-173.1	-102.1	0	0	0	110.3	I133 K135 T138 T139 I206 C207	I133-W219 HydrophobicContact CD1-CB 3.74Å; I133-W219 HydrophobicContact CG2-CB 4.14Å; I133-W219 HydrophobicContact CG2-CG 4.48Å; K135-W219 HydrophobicContact CB-CH2 4.07Å; K135-W219 HydrophobicContact CB-CZ2 4.46Å; K135-W219 HydrophobicContact CB-CZ3 4.29Å; K135-W219 HydrophobicContact CD-CE3 4.21Å; K135-W219 HydrophobicContact CD-CH2 3.79Å; K135-W219 HydrophobicContact CD-CZ3 3.41Å; K135-W219 VanDerWaalsContact CD-CZ3 3.41Å; K135-W219 VanDerWaalsContact CE-CZ3 3.49Å; K135-W219 HydrophobicContact CG-CE3 3.98Å; K135-W219 HydrophobicContact CG-CH2 3.86Å; K135-W219 HydrophobicContact CG-CZ3 3.56Å; T138-W219 HydrophobicContact CG2-CB 4.42Å; T138-W219 HydrophobicContact CG2-CG 3.85Å; T139-W219 PolarHBondContact O-NE1 3.15Å; I206-W219 CarbonylContact C-O 3.58Å; I206-W219 WeakPolarHBondContact CA-O 3.36Å; C207-W219 HydrophobicContact CB-CB 4.46Å; C207-W219 PolarHBondContact N-O 3.02Å; C207-W219 PolarHBondContact O-N 3.28Å
220	S	98	Very high	97	Very high	42 Å²	42	47.2 Å²	47.2	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.7	-175.4	-160.3	0	0	0	0	111.4	E204 Y205	E204-S220 WeakPolarHBondContact CG-OG 3.09Å; E204-S220 WeakPolarHBondContact OE1-CB 3.18Å; E204-S220 PolarHBondContact OE1-OG 2.94Å; Y205-S220 CarbonylContact O-C 3.57Å; Y205-S220 WeakPolarHBondContact O-CA 3.08Å
221	V	98.1	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.3	-178.2	-176.5	0	0	0	0	109.4	T139 H140 L152 W166 Y205	T139-V221 HydrophobicContact CG2-CG1 4.19Å; T139-V221 WeakPolarHBondContact O-CG2 3.49Å; H140-V221 WeakPolarHBondContact O-CG1 3.14Å; L152-V221 HydrophobicContact CD2-CG1 4.11Å; W166-V221 HydrophobicContact CH2-CG2 4.11Å; W166-V221 HydrophobicContact CZ3-CB 4.49Å; W166-V221 HydrophobicContact CZ3-CG2 4.1Å; Y205-V221 PolarHBondContact N-O 2.81Å; Y205-V221 PolarHBondContact O-N 2.8Å
222	K	97.8	Very high	96.9	Very high	96 Å²	96	47.8 Å²	47.8	42%	0.417	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.9	175.5	-166.1	178.5	-178.2	179	0	110.9	D141 I142 G203	D141-K222 CarbonylContact C-O 3.45Å; D141-K222 WeakPolarHBondContact CA-O 3.33Å; D141-K222 HydrophobicContact CB-CB 4.17Å; D141-K222 VanDerWaalsContact CG-CB 3.44Å; D141-K222 WeakPolarHBondContact OD1-CB 3.47Å; D141-K222 PolarHBondContact OD1-N 2.9Å; I142-K222 PolarHBondContact N-O 2.91Å; G203-K222 WeakPolarHBondContact O-CA 3.39Å
223	I	97.4	Very high	96.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.3	171.5	-54.4	-174.6	0	0	0	108.9	I142 V144 L152 L194 L197 M202 G203 Y205 V225	I142-I223 HydrophobicContact CD1-CD1 4.44Å; I142-I223 HydrophobicContact CD1-CG1 4.15Å; I142-I223 HydrophobicContact CD1-CG2 4.35Å; I142-I223 HydrophobicContact CG1-CB 4.37Å; I142-I223 HydrophobicContact CG1-CG1 4.03Å; I142-I223 HydrophobicContact CG1-CG2 4.25Å; V144-I223 HydrophobicContact CG2-CG2 4.45Å; L152-I223 HydrophobicContact CD1-CD1 3.89Å; L152-I223 HydrophobicContact CD1-CG1 4.5Å; L152-I223 HydrophobicContact CD2-CD1 4.03Å; L152-I223 HydrophobicContact CD2-CG1 4.3Å; L152-I223 HydrophobicContact CG-CD1 4.38Å; L194-I223 HydrophobicContact CD1-CD1 3.63Å; L197-I223 HydrophobicContact CD2-CG2 4.03Å; M202-I223 WeakPolarHBondContact CA-O 3.37Å; G203-I223 PolarHBondContact N-O 3.35Å; G203-I223 PolarHBondContact O-N 3.48Å; Y205-I223 HydrophobicContact CD2-CD1 3.61Å; Y205-I223 HydrophobicContact CD2-CG1 3.82Å; Y205-I223 HydrophobicContact CE2-CB 4.39Å; Y205-I223 HydrophobicContact CE2-CD1 3.46Å; Y205-I223 VanDerWaalsContact CE2-CD1 3.46Å; Y205-I223 HydrophobicContact CE2-CG1 3.97Å; Y205-I223 HydrophobicContact CG-CD1 4.28Å; I223-V225 HydrophobicContact CG2-CG2 4.08Å
224	Q	96.3	Very high	96.2	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.7	166.4	-64.6	-171.8	-39.8	0	0	109.8	I142 I143 V144	I142-Q224 PolarHBondContact O-N 3.18Å; I143-Q224 WeakPolarHBondContact CA-O 3.39Å; I143-Q224 HydrophobicContact CG1-CB 4.22Å; V144-Q224 PolarHBondContact N-O 2.85Å
225	V	97.1	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119	176.8	-176.2	0	0	0	0	107.7	V144 E146 L197 M202 I223 F227	V144-V225 HydrophobicContact CG2-CG2 4.08Å; V144-V225 CarbonylContact O-C 3.5Å; V144-V225 WeakPolarHBondContact O-CA 3.42Å; E146-V225 HydrophobicContact CB-CG1 3.75Å; E146-V225 HydrophobicContact CG-CG1 4.36Å; L197-V225 HydrophobicContact CB-CG2 4.27Å; L197-V225 HydrophobicContact CD2-CG2 4.4Å; M202-V225 HydrophobicContact CG-CB 3.66Å; M202-V225 HydrophobicContact CG-CG2 3.74Å; M202-V225 HydrophobicContact SD-CB 4.2Å; I223-V225 HydrophobicContact CG2-CG2 4.08Å; V225-F227 WeakPolarHBondContact O-CD1 3.36Å
226	H	97.4	Very high	95.5	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.065	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.5	-179.1	-74.7	-159.9	0	0	0	111	I143 V144 K145 E146 W255 Y315	I143-H226 WeakPolarHBondContact CG2-CE1 3.48Å; I143-H226 WeakPolarHBondContact CG2-NE2 3.36Å; V144-H226 PolarHBondContact O-N 3.37Å; K145-H226 CarbonylContact C-O 3.47Å; K145-H226 WeakPolarHBondContact CA-O 3.41Å; E146-H226 PolarHBondContact N-O 3.36Å; H226-W255 CarbonylContact C-O 3.56Å; H226-W255 WeakPolarHBondContact CA-O 2.95Å; H226-W255 AromaticContact CD2-CD1 3.44Å; H226-W255 VanDerWaalsContact CD2-CD1 3.44Å; H226-W255 AromaticContact CD2-NE1 3.94Å; H226-W255 AromaticContact NE2-CD1 3.71Å; H226-W255 AromaticContact NE2-NE1 3.76Å; H226-Y315 HydrophobicContact CB-CD1 4.29Å; H226-Y315 HydrophobicContact CB-CD2 3.99Å; H226-Y315 HydrophobicContact CB-CE1 3.79Å; H226-Y315 HydrophobicContact CB-CE2 3.48Å; H226-Y315 VanDerWaalsContact CB-CE2 3.48Å; H226-Y315 HydrophobicContact CB-CG 4.38Å; H226-Y315 AromaticContact CG-CE2 3.73Å; H226-Y315 AromaticContact CG-CZ 3.75Å; H226-Y315 AromaticContact ND1-CE2 3.28Å; H226-Y315 VanDerWaalsContact ND1-CE2 3.28Å; H226-Y315 WeakPolarHBondContact ND1-CE2 3.33Å; H226-Y315 AromaticContact ND1-CZ 3.34Å; H226-Y315 VanDerWaalsContact ND1-CZ 3.34Å; H226-Y315 PolarHBondContact ND1-OH 3.13Å
227	F	97.6	Very high	95.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.6	-176.9	51.9	-87.8	0	0	0	112.1	E146 R199 M202 V225 W255 Y288 N313	E146-F227 HydrophobicContact CB-CB 3.73Å; E146-F227 HydrophobicContact CG-CB 4.42Å; E146-F227 VanDerWaalsContact OE2-CB 3.26Å; E146-F227 WeakPolarHBondContact OE2-CB 3.25Å; R199-F227 HydrophobicContact CB-CD1 4.29Å; R199-F227 HydrophobicContact CB-CE1 3.54Å; R199-F227 HydrophobicContact CB-CZ 3.89Å; M202-F227 HydrophobicContact SD-CE1 4.35Å; V225-F227 WeakPolarHBondContact O-CD1 3.36Å; F227-W255 HydrophobicContact CD1-CB 4.17Å; F227-W255 HydrophobicContact CE1-CB 3.66Å; F227-W255 HydrophobicContact CZ-CB 3.93Å; F227-W255 PolarHBondContact N-O 2.8Å; F227-W255 PolarHBondContact O-N 2.99Å; F227-Y288 HydrophobicContact CZ-CD1 4.38Å; F227-Y288 HydrophobicContact CZ-CD2 4.13Å; F227-Y288 AromaticContact CZ-CG 3.81Å; F227-Y288 HydrophobicContact CZ-CG 3.81Å; F227-N313 PolarHBondContact O-ND2 3.17Å
228	G	97.3	Very high	95.1	Very high	22 Å²	22	46.2 Å²	46.2	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	162.7	176.1	0	0	0	0	0	112.3	N313	G228-N313 WeakPolarHBondContact CA-OD1 3.18Å
229	P	97.7	Very high	94.9	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.1	-178.8	-19.9	34.4	0	0	0	111.6	E253 A254 P258 A311 N313 G316 E318	P229-E253 CarbonylContact C-O 3.49Å; P229-A254 HydrophobicContact CB-CB 4.06Å; P229-A254 HydrophobicContact CG-CB 4.09Å; P229-P258 HydrophobicContact CB-CB 4.46Å; P229-P258 HydrophobicContact CG-CB 4.06Å; P229-A311 HydrophobicContact CB-CB 3.91Å; P229-A311 HydrophobicContact CG-CB 4.34Å; P229-N313 WeakPolarHBondContact CD-OD1 3.43Å; P229-G316 VanDerWaalsContact CD-C 3.49Å; P229-G316 VanDerWaalsContact CD-O 3.22Å; P229-G316 WeakPolarHBondContact CD-O 3.3Å; P229-E318 HydrophobicContact CB-CB 4.45Å
230	K	96.6	Very high	94.8	Very high	123 Å²	123	45.9 Å²	45.9	54%	0.535	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	106.9	164.4	-170.2	176	-179.4	179.7	0	109.7	G252 E253 E318	K230-G252 WeakPolarHBondContact O-CA 3.49Å; K230-E253 PolarHBondContact N-O 2.84Å; K230-E253 PolarHBondContact O-N 3.33Å; K230-E318 VanDerWaalsContact C-OE2 3.25Å; K230-E318 WeakPolarHBondContact CA-OE2 3.31Å
231	L	96.6	Very high	94.6	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.4	178.8	-69.2	-180	0	0	0	110.4	T251 F260 A311 E318 I320	L231-T251 WeakPolarHBondContact CA-O 3.33Å; L231-F260 HydrophobicContact CD2-CE1 4.26Å; L231-A311 HydrophobicContact CD2-CB 3.67Å; L231-A311 HydrophobicContact CG-CB 4.29Å; L231-E318 HydrophobicContact CB-CG 4.4Å; L231-E318 HydrophobicContact CD1-CB 4.18Å; L231-E318 HydrophobicContact CD1-CG 4.09Å; L231-E318 HydrophobicContact CG-CB 4.16Å; L231-E318 HydrophobicContact CG-CG 4.15Å; L231-E318 PolarHBondContact N-OE2 3.32Å; L231-I320 HydrophobicContact CD1-CB 3.85Å; L231-I320 HydrophobicContact CD1-CG2 3.81Å
232	L	94.2	Very high	94.4	Very high	53 Å²	53	52.1 Å²	52.1	28%	0.277	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.5	178.9	-58.7	-175.5	0	0	0	109.9	S234 T251 E253	L232-S234 PolarHBondContact O-N 2.9Å; L232-T251 HydrophobicContact CB-CG2 4.39Å; L232-T251 HydrophobicContact CD1-CG2 3.86Å; L232-T251 HydrophobicContact CG-CG2 4.35Å; L232-T251 PolarHBondContact N-O 2.89Å; L232-E253 HydrophobicContact CD1-CG 4.34Å; L232-E253 HydrophobicContact CD2-CG 4.42Å; L232-E253 HydrophobicContact CG-CG 4.47Å
233	P	90.8	Very high	94.1	Very high	126 Å²	126	50 Å²	50	82%	0.818	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-55.9	137	174.4	-24.2	33.5	0	0	0	112.1
234	S	85.9	Confident	94	Very high	41 Å²	41	51.9 Å²	51.9	29%	0.287	31%	0.306	S	S	.	.			trans	-116	167.5	174.4	63.5	0	0	0	0	111.4	L232 N236	L232-S234 PolarHBondContact O-N 2.9Å; S234-N236 PolarHBondContact O-N 3.01Å
235	S	86.3	Confident	94	Very high	90 Å²	90	55.6 Å²	55.6	63%	0.629	32%	0.322	S	S	*	.			trans	-58.8	123.7	171	55.8	0	0	0	0	110.2	I238	S235-I238 VanDerWaalsContact O-CG1 3.26Å; S235-I238 WeakPolarHBondContact O-CG1 3.29Å
236	N	89.4	Confident	93.9	Very high	89 Å²	89	56.1 Å²	56.1	48%	0.476	33%	0.325	S	S	.	.	S	Bend	trans	-146.2	129.4	-178.6	-168.2	27.5	0	0	0	109.1	S234 E323	S234-N236 PolarHBondContact O-N 3.01Å; N236-E323 WeakPolarHBondContact OD1-CB 3.44Å; N236-E323 PolarHBondContact OD1-N 2.6Å
237	P	92.7	Very high	93.8	Very high	40 Å²	40	59 Å²	59	26%	0.26	34%	0.338	S	S	.	.	S	Bend	cis	-72.4	156.4	-5	31.4	-35.7	0	0	0	113.2	Y239 E323 R325	P237-Y239 HydrophobicContact CB-CE2 4.47Å; P237-Y239 HydrophobicContact CG-CE2 3.67Å; P237-Y239 WeakPolarHBondContact CG-OH 3.47Å; P237-E323 CarbonylContact C-O 3.48Å; P237-E323 WeakPolarHBondContact CA-O 3.3Å; P237-E323 HydrophobicContact CB-CB 4.08Å; P237-E323 HydrophobicContact CB-CG 4.42Å; P237-E323 WeakPolarHBondContact CB-O 3.41Å; P237-R325 HydrophobicContact CB-CG 4.15Å
238	I	94.3	Very high	93.7	Very high	30 Å²	30	58.7 Å²	58.7	15%	0.154	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	171.2	-61.8	-177.5	0	0	0	108.4	S235 L248 I322 E323 L324 R325	S235-I238 VanDerWaalsContact O-CG1 3.26Å; S235-I238 WeakPolarHBondContact O-CG1 3.29Å; I238-L248 HydrophobicContact CD1-CD2 3.8Å; I238-L248 HydrophobicContact CG2-CD2 4.4Å; I238-I322 HydrophobicContact CD1-CG2 3.58Å; I238-I322 HydrophobicContact CG1-CG2 4.03Å; I238-E323 PolarHBondContact N-O 2.67Å; I238-L324 HydrophobicContact CB-CD1 4.26Å; I238-L324 HydrophobicContact CG2-CD1 4.01Å; I238-R325 PolarHBondContact O-N 2.8Å
239	Y	94.4	Very high	93.7	Very high	109 Å²	109	60.1 Å²	60.1	43%	0.427	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.4	179	-66.2	-83.6	0	0	0	111.9	P237 R325 K327	P237-Y239 HydrophobicContact CB-CE2 4.47Å; P237-Y239 HydrophobicContact CG-CE2 3.67Å; P237-Y239 WeakPolarHBondContact CG-OH 3.47Å; Y239-R325 CarbonylContact C-O 3.6Å; Y239-R325 VanDerWaalsContact CA-O 3.31Å; Y239-R325 WeakPolarHBondContact CA-O 3.3Å; Y239-R325 HydrophobicContact CD1-CB 3.75Å; Y239-R325 HydrophobicContact CE1-CB 3.75Å; Y239-R325 HydrophobicContact CE1-CG 4.47Å; Y239-K327 WeakPolarHBondContact O-CE 3.37Å
240	A	94.9	Very high	93.6	Very high	7 Å²	7	59.6 Å²	59.6	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.9	177.8	0	0	0	0	0	113.8	V246 L299 L324 R325 G326 K327	A240-V246 HydrophobicContact CB-CB 4.46Å; A240-V246 HydrophobicContact CB-CG1 4.24Å; A240-V246 HydrophobicContact CB-CG2 3.34Å; A240-L299 HydrophobicContact CB-CD2 3.54Å; A240-L324 HydrophobicContact CB-CD1 4Å; A240-R325 PolarHBondContact N-O 3.43Å; A240-G326 CarbonylContact O-C 3.5Å; A240-G326 WeakPolarHBondContact O-CA 3.4Å; A240-K327 PolarHBondContact O-N 2.79Å
241	S	93.6	Very high	93.5	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	32%	0.316	S	S	.	.			trans	-89.7	143.8	177.5	-64.5	0	0	0	0	111	G243 S244 L299	S241-G243 PolarHBondContact O-N 3.39Å; S241-S244 VanDerWaalsContact O-CB 3.3Å; S241-S244 WeakPolarHBondContact O-CB 3.48Å; S241-S244 PolarHBondContact O-N 3.38Å; S241-S244 VanDerWaalsContact O-N 3.15Å; S241-S244 PolarHBondContact O-OG 3.13Å; S241-L299 WeakPolarHBondContact O-CD2 3.26Å
242	I	93.5	Very high	93.5	Very high	117 Å²	117	54.1 Å²	54.1	60%	0.6	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	139.5	170.8	-63.2	173.8	0	0	0	109.5	S244 L299 F304	I242-S244 VanDerWaalsContact C-N 3.29Å; I242-S244 PolarHBondContact O-N 3.07Å; I242-L299 CarbonylContact C-O 3.53Å; I242-L299 WeakPolarHBondContact CA-O 3.21Å; I242-L299 WeakPolarHBondContact CG2-O 3.4Å; I242-F304 HydrophobicContact CD1-CE2 4.35Å; I242-F304 HydrophobicContact CG1-CE2 4.01Å; I242-F304 HydrophobicContact CG1-CZ 4.03Å
243	G	92.6	Very high	93.5	Very high	52 Å²	52	53.5 Å²	53.5	54%	0.536	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-14.1	-176.6	0	0	0	0	0	114.8	S241 L299	S241-G243 PolarHBondContact O-N 3.39Å; G243-L299 PolarHBondContact N-O 3.02Å
244	S	95.1	Very high	93.8	Very high	40 Å²	40	47.5 Å²	47.5	28%	0.28	27%	0.269	S	S	.	.			trans	-77.3	161.5	-178.5	69.4	0	0	0	0	113	S241 I242 K298 L299	S241-S244 VanDerWaalsContact O-CB 3.3Å; S241-S244 WeakPolarHBondContact O-CB 3.48Å; S241-S244 PolarHBondContact O-N 3.38Å; S241-S244 VanDerWaalsContact O-N 3.15Å; S241-S244 PolarHBondContact O-OG 3.13Å; I242-S244 VanDerWaalsContact C-N 3.29Å; I242-S244 PolarHBondContact O-N 3.07Å; S244-K298 PolarHBondContact O-N 3.06Å; S244-L299 WeakPolarHBondContact O-CB 3.26Å; S244-L299 PolarHBondContact O-N 3.43Å
245	K	95.8	Very high	94.3	Very high	124 Å²	124	47.8 Å²	47.8	54%	0.539	26%	0.264	S	S	.	.			trans	-89	126.1	165.7	-177.7	176.2	-174.3	170.2	0	107.9	I295 I296 N297	K245-I295 HydrophobicContact CD-CG2 4.19Å; K245-I295 HydrophobicContact CG-CG2 4.01Å; K245-I296 WeakPolarHBondContact CA-O 3.34Å; K245-N297 WeakPolarHBondContact CE-OD1 3.29Å
246	V	94.9	Very high	94.8	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.3	-176.3	-176.4	0	0	0	0	109.9	A240 L248 I295 I296 L299 L324	A240-V246 HydrophobicContact CB-CB 4.46Å; A240-V246 HydrophobicContact CB-CG1 4.24Å; A240-V246 HydrophobicContact CB-CG2 3.34Å; V246-L248 HydrophobicContact CG1-CD2 4.05Å; V246-I295 CarbonylContact O-C 3.57Å; V246-I295 WeakPolarHBondContact O-CA 3.45Å; V246-I296 HydrophobicContact CB-CB 4.46Å; V246-I296 PolarHBondContact N-O 3.22Å; V246-I296 PolarHBondContact O-N 2.82Å; V246-L299 HydrophobicContact CG2-CB 4.36Å; V246-L299 HydrophobicContact CG2-CD1 4.33Å; V246-L299 HydrophobicContact CG2-CD2 3.91Å; V246-L299 HydrophobicContact CG2-CG 4.45Å; V246-L324 HydrophobicContact CG1-CD1 4.05Å
247	E	95.6	Very high	95	Very high	75 Å²	75	46.5 Å²	46.5	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.6	169.8	-57.1	-164.7	164.8	0	0	109.7	I249 R281 V293 L294 I295	E247-I249 HydrophobicContact CB-CG1 4.35Å; E247-R281 IonicContact OE1-NH2 3.79Å; E247-R281 PolarHBondContact OE1-NH2 2.87Å; E247-R281 IonicContact OE2-CZ 3.45Å; E247-R281 IonicContact OE2-NH1 3.94Å; E247-R281 PolarHBondContact OE2-NH1 3.36Å; E247-R281 IonicContact OE2-NH2 3.13Å; E247-R281 PolarHBondContact OE2-NH2 2.91Å; E247-V293 HydrophobicContact CB-CG1 4.22Å; E247-L294 CarbonylContact C-O 3.57Å; E247-L294 WeakPolarHBondContact CA-O 2.89Å; E247-I295 HydrophobicContact CG-CG1 4.24Å
248	L	95.8	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.8	165.1	-51.4	-175.3	0	0	0	107.6	I238 V246 W262 V293 L294 I296 Y307 I322 L324	I238-L248 HydrophobicContact CD1-CD2 3.8Å; I238-L248 HydrophobicContact CG2-CD2 4.4Å; V246-L248 HydrophobicContact CG1-CD2 4.05Å; L248-W262 HydrophobicContact CB-CH2 3.67Å; L248-W262 HydrophobicContact CB-CZ2 4.49Å; L248-W262 HydrophobicContact CB-CZ3 3.82Å; L248-W262 HydrophobicContact CD1-CZ3 4.33Å; L248-W262 WeakPolarHBondContact O-CH2 3.27Å; L248-W262 WeakPolarHBondContact O-CZ2 3.38Å; L248-V293 WeakPolarHBondContact O-CA 3.23Å; L248-L294 HydrophobicContact CB-CB 4.36Å; L248-L294 HydrophobicContact CD1-CD2 4.27Å; L248-L294 PolarHBondContact N-O 2.82Å; L248-L294 PolarHBondContact O-N 2.92Å; L248-I296 HydrophobicContact CD1-CD1 4.06Å; L248-I296 HydrophobicContact CG-CD1 4.25Å; L248-Y307 HydrophobicContact CD1-CD1 3.69Å; L248-Y307 HydrophobicContact CD1-CD2 3.6Å; L248-Y307 HydrophobicContact CD1-CE1 4.1Å; L248-Y307 HydrophobicContact CD1-CE2 4.05Å; L248-Y307 HydrophobicContact CD1-CG 3.41Å; L248-Y307 VanDerWaalsContact CD1-CG 3.41Å; L248-I322 HydrophobicContact CD2-CG2 4.34Å; L248-L324 HydrophobicContact CD2-CD1 4.21Å; L248-L324 HydrophobicContact CD2-CD2 4.47Å
249	I	96.4	Very high	95.3	Very high	52 Å²	52	48.1 Å²	48.1	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.1	-174.3	-56	178	0	0	0	108.7	E247 Q291 V293	E247-I249 HydrophobicContact CB-CG1 4.35Å; I249-Q291 HydrophobicContact CG2-CB 4.12Å; I249-Q291 HydrophobicContact CG2-CG 4.26Å; I249-V293 HydrophobicContact CG1-CG1 4.45Å; I249-V293 HydrophobicContact CG1-CG2 4.36Å; I249-V293 HydrophobicContact CG2-CG2 4.46Å
250	C	95.6	Very high	95.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.4	176.2	178.3	0	0	0	0	108.3	W262 Q291 G292 C309	C250-W262 HydrophobicContact CB-CH2 3.67Å; C250-W262 HydrophobicContact CB-CZ2 3.6Å; C250-Q291 CarbonylContact O-C 3.59Å; C250-Q291 WeakPolarHBondContact O-CA 3.14Å; C250-G292 PolarHBondContact N-O 3.44Å; C250-G292 PolarHBondContact O-N 3.09Å; C250-C309 HydrophobicContact CB-CB 3.49Å; C250-C309 VanDerWaalsContact CB-CB 3.49Å; C250-C309 WeakPolarHBondContact CB-SG 3.39Å; C250-C309 WeakPolarHBondContact SG-CB 3.37Å; C250-C309 CovalentContact SG-SG 2.03Å; C250-C309 PolarHBondContact SG-SG 3.33Å
251	T	95.6	Very high	95.4	Very high	22 Å²	22	46.2 Å²	46.2	14%	0.135	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.5	-174.5	-59.1	0	0	0	0	109.7	L231 L232 H289 Q291	L231-T251 WeakPolarHBondContact CA-O 3.33Å; L232-T251 HydrophobicContact CB-CG2 4.39Å; L232-T251 HydrophobicContact CD1-CG2 3.86Å; L232-T251 HydrophobicContact CG-CG2 4.35Å; L232-T251 PolarHBondContact N-O 2.89Å; T251-H289 WeakPolarHBondContact CG2-CE1 3.31Å; T251-H289 WeakPolarHBondContact CG2-NE2 3.14Å; T251-Q291 HydrophobicContact CG2-CG 4.07Å; T251-Q291 PolarHBondContact OG1-NE2 3.39Å; T251-Q291 VanDerWaalsContact OG1-NE2 3.08Å
252	G	95.5	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.9	-179.1	0	0	0	0	0	113.3	K230 S290	K230-G252 WeakPolarHBondContact O-CA 3.49Å; G252-S290 PolarHBondContact N-O 2.79Å; G252-S290 PolarHBondContact O-N 2.84Å; G252-S290 VanDerWaalsContact O-O 3.08Å
253	E	96	Very high	95.6	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.8	170.5	-61.9	-171.2	170.9	0	0	110.5	R199 P229 K230 L232 Y288	R199-E253 IonicContact CZ-OE2 2.74Å; R199-E253 IonicContact NH1-OE2 2.9Å; R199-E253 PolarHBondContact NH1-OE2 3.23Å; P229-E253 CarbonylContact C-O 3.49Å; K230-E253 PolarHBondContact N-O 2.84Å; K230-E253 PolarHBondContact O-N 3.33Å; L232-E253 HydrophobicContact CD1-CG 4.34Å; L232-E253 HydrophobicContact CD2-CG 4.42Å; L232-E253 HydrophobicContact CG-CG 4.47Å; E253-Y288 CarbonylContact C-O 3.53Å; E253-Y288 VanDerWaalsContact CA-O 3.24Å; E253-Y288 WeakPolarHBondContact CA-O 3.48Å; E253-Y288 HydrophobicContact CB-CD2 4.06Å; E253-Y288 HydrophobicContact CG-CD2 4.18Å; E253-Y288 HydrophobicContact CG-CE2 4.42Å
254	A	96.7	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.9	174.8	0	0	0	0	0	111.4	P229 P256 P258 Y288	P229-A254 HydrophobicContact CB-CB 4.06Å; P229-A254 HydrophobicContact CG-CB 4.09Å; A254-P256 CarbonylContact C-O 3.58Å; A254-P258 HydrophobicContact CB-CB 4.13Å; A254-P258 HydrophobicContact CB-CG 3.91Å; A254-Y288 PolarHBondContact N-O 3.32Å; A254-Y288 WeakPolarHBondContact O-CA 3.15Å; A254-Y288 WeakPolarHBondContact O-CB 3.48Å
255	W	96.5	Very high	95	Very high	48 Å²	48	41.3 Å²	41.3	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.3	168.7	-165.1	-97	0	0	0	111.1	M202 H226 F227 R257 P287	M202-W255 HydrophobicContact CE-CD2 4.16Å; M202-W255 HydrophobicContact CE-CG 3.9Å; H226-W255 CarbonylContact C-O 3.56Å; H226-W255 WeakPolarHBondContact CA-O 2.95Å; H226-W255 AromaticContact CD2-CD1 3.44Å; H226-W255 VanDerWaalsContact CD2-CD1 3.44Å; H226-W255 AromaticContact CD2-NE1 3.94Å; H226-W255 AromaticContact NE2-CD1 3.71Å; H226-W255 AromaticContact NE2-NE1 3.76Å; F227-W255 HydrophobicContact CD1-CB 4.17Å; F227-W255 HydrophobicContact CE1-CB 3.66Å; F227-W255 HydrophobicContact CZ-CB 3.93Å; F227-W255 PolarHBondContact N-O 2.8Å; F227-W255 PolarHBondContact O-N 2.99Å; W255-R257 HydrophobicContact CE3-CG 4.27Å; W255-R257 HydrophobicContact CZ3-CG 4.12Å; W255-P287 HydrophobicContact CH2-CB 4.43Å; W255-P287 HydrophobicContact CZ3-CB 3.98Å; W255-P287 VanDerWaalsContact CZ3-O 3.26Å; W255-P287 WeakPolarHBondContact CZ3-O 3.37Å
256	P	96.1	Very high	94.3	Very high	37 Å²	37	41.8 Å²	41.8	24%	0.24	21%	0.214	C	C	.	.	S	Bend	cis	-55.7	159.3	-6.7	-23	35	0	0	0	112.5	A254 N313	A254-P256 CarbonylContact C-O 3.58Å; P256-N313 PolarHBondContact O-ND2 3.12Å
257	R	94.6	Very high	94.1	Very high	115 Å²	115	49 Å²	49	43%	0.434	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-58.1	141.1	-174.4	-70.6	-175.3	-176.1	133.4	-1.8	111	W255 P287	W255-R257 HydrophobicContact CE3-CG 4.27Å; W255-R257 HydrophobicContact CZ3-CG 4.12Å; R257-P287 PolarHBondContact NE-O 3.07Å; R257-P287 PolarHBondContact NH2-O 2.89Å
258	P	96	Very high	93.9	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.052	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-78.2	153.5	-177.7	33.9	-32.3	0	0	0	111.7	P229 A254 F260 S290 A311 E312	P229-P258 HydrophobicContact CB-CB 4.46Å; P229-P258 HydrophobicContact CG-CB 4.06Å; A254-P258 HydrophobicContact CB-CB 4.13Å; A254-P258 HydrophobicContact CB-CG 3.91Å; P258-F260 HydrophobicContact CG-CE2 3.84Å; P258-F260 HydrophobicContact CG-CZ 3.8Å; P258-S290 VanDerWaalsContact CD-OG 3.25Å; P258-S290 WeakPolarHBondContact CD-OG 3.32Å; P258-S290 WeakPolarHBondContact CG-OG 3.38Å; P258-A311 HydrophobicContact CB-CB 4.09Å; P258-A311 HydrophobicContact CG-CB 4.39Å; P258-E312 CarbonylContact C-O 3.5Å; P258-E312 WeakPolarHBondContact CA-O 3.19Å; P258-E312 WeakPolarHBondContact CB-O 3.36Å
259	T	95.9	Very high	93.7	Very high	95 Å²	95	52.4 Å²	52.4	58%	0.583	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.8	160.8	57	0	0	0	0	109.7	A311 E312	T259-A311 WeakPolarHBondContact O-CA 3.29Å; T259-E312 PolarHBondContact N-O 2.74Å; T259-E312 PolarHBondContact O-N 2.75Å; T259-E312 PolarHBondContact OG1-O 3.22Å
260	F	96	Very high	93.1	Very high	27 Å²	27	55.8 Å²	55.8	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.5	177.5	-66.7	-88.5	0	0	0	111	L231 P258 T280 S290 K310 A311	L231-F260 HydrophobicContact CD2-CE1 4.26Å; P258-F260 HydrophobicContact CG-CE2 3.84Å; P258-F260 HydrophobicContact CG-CZ 3.8Å; F260-T280 HydrophobicContact CD2-CG2 4.08Å; F260-T280 HydrophobicContact CE2-CG2 4.22Å; F260-S290 WeakPolarHBondContact CE2-OG 3.43Å; F260-K310 CarbonylContact C-O 3.6Å; F260-K310 WeakPolarHBondContact CA-O 3.49Å; F260-A311 HydrophobicContact CD1-CB 3.96Å; F260-A311 HydrophobicContact CE1-CB 3.77Å; F260-A311 HydrophobicContact CZ-CB 4.5Å
261	S	95.6	Very high	92.1	Very high	50 Å²	50	59.6 Å²	59.6	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.8	171.5	56.2	0	0	0	0	110.7	C309 K310	S261-C309 WeakPolarHBondContact O-CA 3.19Å; S261-K310 PolarHBondContact N-O 2.7Å; S261-K310 PolarHBondContact O-N 3.45Å
262	W	96.2	Very high	90.8	Very high	6 Å²	6	67.1 Å²	67.1	2%	0.023	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145	-174.9	-67.6	86.5	0	0	0	111.1	L248 C250 I269 M278 G292 L294 R308 C309 I322	L248-W262 HydrophobicContact CB-CH2 3.67Å; L248-W262 HydrophobicContact CB-CZ2 4.49Å; L248-W262 HydrophobicContact CB-CZ3 3.82Å; L248-W262 HydrophobicContact CD1-CZ3 4.33Å; L248-W262 WeakPolarHBondContact O-CH2 3.27Å; L248-W262 WeakPolarHBondContact O-CZ2 3.38Å; C250-W262 HydrophobicContact CB-CH2 3.67Å; C250-W262 HydrophobicContact CB-CZ2 3.6Å; W262-I269 HydrophobicContact CB-CB 4.46Å; W262-I269 HydrophobicContact CB-CD1 4.2Å; W262-I269 PolarHBondContact O-N 3.22Å; W262-M278 HydrophobicContact CB-SD 4.08Å; W262-M278 VanDerWaalsContact CD1-SD 3.59Å; W262-M278 HydrophobicContact CG-SD 4.19Å; W262-G292 WeakPolarHBondContact CZ2-O 3.23Å; W262-L294 HydrophobicContact CB-CD2 4.05Å; W262-L294 HydrophobicContact CD2-CB 3.58Å; W262-L294 HydrophobicContact CD2-CD2 3.97Å; W262-L294 HydrophobicContact CD2-CG 4.37Å; W262-L294 HydrophobicContact CE3-CB 4.05Å; W262-L294 HydrophobicContact CE3-CD2 3.93Å; W262-L294 HydrophobicContact CG-CB 3.87Å; W262-L294 HydrophobicContact CG-CD2 4.04Å; W262-L294 HydrophobicContact CG-CG 4.38Å; W262-L294 HydrophobicContact CH2-CB 4.36Å; W262-L294 HydrophobicContact CZ2-CB 3.94Å; W262-L294 HydrophobicContact CZ3-CB 4.41Å; W262-R308 CarbonylContact C-O 3.58Å; W262-R308 WeakPolarHBondContact CA-O 3.34Å; W262-C309 HydrophobicContact CD2-CB 4.23Å; W262-C309 HydrophobicContact CE3-CB 3.95Å; W262-C309 HydrophobicContact CH2-CB 3.95Å; W262-C309 HydrophobicContact CZ2-CB 4.21Å; W262-C309 HydrophobicContact CZ3-CB 3.81Å; W262-I322 HydrophobicContact CH2-CD1 3.84Å; W262-I322 HydrophobicContact CZ3-CD1 3.96Å
263	S	95.1	Very high	90.1	Very high	19 Å²	19	70 Å²	70	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.1	172.5	54.6	0	0	0	0	110.2	K267 Y307 R308	S263-K267 CarbonylContact C-O 3.53Å; S263-K267 WeakPolarHBondContact CA-O 3.24Å; S263-K267 WeakPolarHBondContact CB-O 3.47Å; S263-Y307 CarbonylContact O-C 3.59Å; S263-Y307 WeakPolarHBondContact O-CA 3.44Å; S263-R308 PolarHBondContact N-O 3.31Å; S263-R308 PolarHBondContact O-N 2.8Å; S263-R308 WeakPolarHBondContact OG-CB 3.17Å; S263-R308 PolarHBondContact OG-O 3.24Å
264	I	93	Very high	89.5	Confident	28 Å²	28	73.7 Å²	73.7	14%	0.144	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.4	173	-172.7	-178.3	0	0	0	107.8	E266 K267 I269 Y307	I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.12Å; I264-K267 PolarHBondContact N-O 2.84Å; I264-K267 WeakPolarHBondContact O-CB 3.33Å; I264-K267 PolarHBondContact O-N 3.09Å; I264-I269 HydrophobicContact CB-CD1 4.22Å; I264-I269 HydrophobicContact CG2-CD1 4.14Å; I264-I269 HydrophobicContact CG2-CG1 4.05Å; I264-Y307 HydrophobicContact CB-CD1 4.08Å; I264-Y307 HydrophobicContact CB-CE1 4.06Å; I264-Y307 HydrophobicContact CD1-CE1 3.92Å; I264-Y307 HydrophobicContact CD1-CE2 3.85Å; I264-Y307 HydrophobicContact CG1-CD1 4.37Å; I264-Y307 HydrophobicContact CG1-CD2 4.5Å; I264-Y307 HydrophobicContact CG1-CE1 4.2Å; I264-Y307 HydrophobicContact CG1-CE2 4.3Å
265	N	82.8	Confident	89.2	Confident	110 Å²	110	75.9 Å²	75.9	59%	0.588	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	48.2	-179	-55.3	-34.8	0	0	0	112.8	K267 T306	N265-K267 PolarHBondContact O-N 2.84Å; N265-K267 VanDerWaalsContact O-N 3.15Å; N265-T306 PolarHBondContact N-O 3.18Å
266	E	81.1	Confident	89.1	Confident	134 Å²	134	75.2 Å²	75.2	63%	0.626	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	5.9	-177	-53.4	-62	159.4	0	0	116.2	I264 R308	I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.12Å; E266-R308 VanDerWaalsContact CD-NH1 3.32Å; E266-R308 IonicContact OE1-CZ 2.85Å; E266-R308 IonicContact OE1-NH1 3.79Å; E266-R308 PolarHBondContact OE1-NH1 3.01Å; E266-R308 IonicContact OE1-NH2 2.72Å; E266-R308 PolarHBondContact OE1-NH2 3.01Å; E266-R308 IonicContact OE2-CZ 2.73Å; E266-R308 IonicContact OE2-NH1 3.63Å; E266-R308 PolarHBondContact OE2-NH1 3.43Å
267	K	89.7	Confident	88.9	Confident	162 Å²	162	76.9 Å²	76.9	70%	0.704	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.8	173.9	-65.8	179.5	-178.3	178.9	0	110.7	S263 I264 N265 I269	S263-K267 CarbonylContact C-O 3.53Å; S263-K267 WeakPolarHBondContact CA-O 3.24Å; S263-K267 WeakPolarHBondContact CB-O 3.47Å; I264-K267 PolarHBondContact N-O 2.84Å; I264-K267 WeakPolarHBondContact O-CB 3.33Å; I264-K267 PolarHBondContact O-N 3.09Å; N265-K267 PolarHBondContact O-N 2.84Å; N265-K267 VanDerWaalsContact O-N 3.15Å; K267-I269 PolarHBondContact O-N 3.5Å
268	I	91.8	Very high	88.9	Confident	136 Å²	136	73.9 Å²	73.9	70%	0.697	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	131.8	176.6	-63.9	162.5	0	0	0	109.4
269	I	91.7	Very high	88.7	Confident	10 Å²	10	76.5 Å²	76.5	5%	0.051	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-85.2	121.6	171.5	-61.6	173.5	0	0	0	107.1	W262 I264 K267 F276 M278 L294 Y307	W262-I269 HydrophobicContact CB-CB 4.46Å; W262-I269 HydrophobicContact CB-CD1 4.2Å; W262-I269 PolarHBondContact O-N 3.22Å; I264-I269 HydrophobicContact CB-CD1 4.22Å; I264-I269 HydrophobicContact CG2-CD1 4.14Å; I264-I269 HydrophobicContact CG2-CG1 4.05Å; K267-I269 PolarHBondContact O-N 3.5Å; I269-F276 HydrophobicContact CG2-CB 3.76Å; I269-F276 HydrophobicContact CG2-CD1 4.31Å; I269-F276 HydrophobicContact CG2-CD2 3.84Å; I269-F276 HydrophobicContact CG2-CG 3.72Å; I269-M278 HydrophobicContact CG2-CE 4.44Å; I269-M278 VanDerWaalsContact O-CE 3.23Å; I269-M278 WeakPolarHBondContact O-CE 3.24Å; I269-L294 HydrophobicContact CD1-CD2 3.61Å; I269-L294 HydrophobicContact CG2-CD1 4.28Å; I269-Y307 HydrophobicContact CD1-CD1 3.86Å; I269-Y307 HydrophobicContact CD1-CE1 3.78Å
270	L	83.7	Confident	88.7	Confident	123 Å²	123	75.9 Å²	75.9	64%	0.644	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-77	140.9	176.8	-64	175	0	0	0	110.5	M278	L270-M278 VanDerWaalsContact C-CE 3.48Å
271	P	74.1	Confident	88.7	Confident	82 Å²	82	79 Å²	79	53%	0.532	42%	0.415	S	S	.	.	S	Bend	trans	-60	150.7	173.5	18.2	-24.1	0	0	0	111.4	M278	P271-M278 HydrophobicContact CB-CE 3.67Å; P271-M278 HydrophobicContact CG-CE 4.14Å
272	E	68.9	Low	88.5	Confident	180 Å²	180	79.6 Å²	79.6	84%	0.841	42%	0.419	S	S	*	.	S	Bend	trans	67.7	44.4	163.3	-59.3	170.9	-176.1	0	0	116.1
273	T	80.5	Confident	88.2	Confident	60 Å²	60	80.9 Å²	80.9	37%	0.368	43%	0.429	S	S	.	.			trans	-93.4	159.4	162.5	64.6	0	0	0	0	109.9	K275 F276	T273-K275 PolarHBondContact O-N 3.28Å; T273-K275 PolarHBondContact OG1-N 3.02Å; T273-F276 PolarHBondContact N-O 2.97Å; T273-F276 PolarHBondContact O-N 2.85Å; T273-F276 VanDerWaalsContact O-O 3.09Å; T273-F276 PolarHBondContact OG1-N 2.88Å
274	S	82.9	Confident	87.7	Confident	118 Å²	118	86 Å²	86	83%	0.825	47%	0.465	S	S	*	.	S	Bend	trans	-59.6	-17.4	170.9	59.8	0	0	0	0	113	N297	S274-N297 PolarHBondContact O-ND2 3.22Å
275	K	91.7	Very high	87.4	Confident	46 Å²	46	94 Å²	94	20%	0.2	50%	0.498	C	S	.	.	S	Bend	trans	-90.3	-44.1	-179.4	-175.4	59.3	177.2	177.6	0	113.4	T273 N297 K298 D303	T273-K275 PolarHBondContact O-N 3.28Å; T273-K275 PolarHBondContact OG1-N 3.02Å; K275-N297 WeakPolarHBondContact CD-O 3.42Å; K275-N297 PolarHBondContact NZ-O 3.16Å; K275-N297 PolarHBondContact O-N 3.34Å; K275-K298 PolarHBondContact NZ-O 2.86Å; K275-D303 WeakPolarHBondContact CE-OD1 3.43Å; K275-D303 WeakPolarHBondContact CE-OD2 3.46Å; K275-D303 IonicContact NZ-OD1 3.54Å; K275-D303 IonicContact NZ-OD2 2.64Å; K275-D303 PolarHBondContact NZ-OD2 2.83Å
276	F	93.1	Very high	87.7	Confident	33 Å²	33	90.5 Å²	90.5	15%	0.145	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.7	-173.2	-59.4	-69.7	0	0	0	111	I269 T273 L294 I295 I296 Y307	I269-F276 HydrophobicContact CG2-CB 3.76Å; I269-F276 HydrophobicContact CG2-CD1 4.31Å; I269-F276 HydrophobicContact CG2-CD2 3.84Å; I269-F276 HydrophobicContact CG2-CG 3.72Å; T273-F276 PolarHBondContact N-O 2.97Å; T273-F276 PolarHBondContact O-N 2.85Å; T273-F276 VanDerWaalsContact O-O 3.09Å; T273-F276 PolarHBondContact OG1-N 2.88Å; F276-L294 HydrophobicContact CB-CD1 4.06Å; F276-L294 HydrophobicContact CD1-CD1 4.07Å; F276-L294 HydrophobicContact CG-CD1 4.45Å; F276-I295 WeakPolarHBondContact CA-O 3.39Å; F276-I296 HydrophobicContact CD1-CB 4.5Å; F276-I296 HydrophobicContact CD1-CG1 3.97Å; F276-I296 HydrophobicContact CD1-CG2 4.35Å; F276-I296 HydrophobicContact CE1-CB 4.46Å; F276-I296 HydrophobicContact CE1-CD1 4.43Å; F276-I296 HydrophobicContact CE1-CG1 3.92Å; F276-I296 HydrophobicContact CE1-CG2 3.98Å; F276-Y307 HydrophobicContact CE1-CE1 4.45Å
277	E	93.2	Very high	88	Confident	73 Å²	73	87 Å²	87	34%	0.341	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	169.7	-55.2	160.7	-165	0	0	108.9	I295 N297	E277-I295 HydrophobicContact CB-CB 4.07Å; E277-I295 HydrophobicContact CB-CD1 4.49Å; E277-I295 PolarHBondContact N-O 2.77Å; E277-I295 PolarHBondContact O-N 3.33Å; E277-N297 PolarHBondContact OE1-ND2 2.77Å
278	M	93.3	Very high	88.2	Confident	51 Å²	51	81.4 Å²	81.4	25%	0.251	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	177.8	-71.3	-170.5	-81.6	0	0	110.1	W262 I269 L270 P271 V293 L294	W262-M278 HydrophobicContact CB-SD 4.08Å; W262-M278 VanDerWaalsContact CD1-SD 3.59Å; W262-M278 HydrophobicContact CG-SD 4.19Å; I269-M278 HydrophobicContact CG2-CE 4.44Å; I269-M278 VanDerWaalsContact O-CE 3.23Å; I269-M278 WeakPolarHBondContact O-CE 3.24Å; L270-M278 VanDerWaalsContact C-CE 3.48Å; P271-M278 HydrophobicContact CB-CE 3.67Å; P271-M278 HydrophobicContact CG-CE 4.14Å; M278-V293 WeakPolarHBondContact CA-O 3.29Å; M278-L294 HydrophobicContact CG-CD1 3.67Å; M278-L294 HydrophobicContact SD-CD1 4.39Å
279	T	93.3	Very high	88.3	Confident	63 Å²	63	76.9 Å²	76.9	39%	0.387	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.5	177.8	59.7	0	0	0	0	110.8	V293	T279-V293 PolarHBondContact N-O 3.31Å; T279-V293 PolarHBondContact O-N 2.72Å
280	T	94.7	Very high	88.5	Confident	83 Å²	83	76.4 Å²	76.4	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.4	173.7	-60.9	0	0	0	0	109.7	F260 Q291	F260-T280 HydrophobicContact CD2-CG2 4.08Å; F260-T280 HydrophobicContact CE2-CG2 4.22Å; T280-Q291 CarbonylContact C-O 3.54Å; T280-Q291 VanDerWaalsContact CA-O 3.26Å; T280-Q291 WeakPolarHBondContact CA-O 3.5Å
281	R	95.1	Very high	89.1	Confident	92 Å²	92	72.9 Å²	72.9	35%	0.347	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.8	176.2	-56.8	176.5	-179.2	158.8	0.1	108.9	E247 S290 Q291 V293	E247-R281 IonicContact OE1-NH2 3.79Å; E247-R281 PolarHBondContact OE1-NH2 2.87Å; E247-R281 IonicContact OE2-CZ 3.45Å; E247-R281 IonicContact OE2-NH1 3.94Å; E247-R281 PolarHBondContact OE2-NH1 3.36Å; E247-R281 IonicContact OE2-NH2 3.13Å; E247-R281 PolarHBondContact OE2-NH2 2.91Å; R281-S290 CarbonylContact O-C 3.59Å; R281-S290 WeakPolarHBondContact O-CA 3.36Å; R281-Q291 HydrophobicContact CB-CB 4.27Å; R281-Q291 PolarHBondContact N-O 3.41Å; R281-Q291 PolarHBondContact O-N 2.02Å; R281-V293 HydrophobicContact CG-CG2 4.02Å
282	S	92.4	Very high	90.2	Very high	62 Å²	62	69 Å²	69	43%	0.434	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.6	176.6	-65.1	0	0	0	0	110.9
283	S	88.9	Confident	91.5	Very high	33 Å²	33	60.5 Å²	60.5	23%	0.231	33%	0.332	C	S	.	.			trans	-77.4	131.3	174.4	-178.3	0	0	0	0	110.7	K285 N286 H289	S283-K285 VanDerWaalsContact C-N 3.33Å; S283-K285 PolarHBondContact OG-N 2.76Å; S283-N286 WeakPolarHBondContact CB-O 3.3Å; S283-N286 PolarHBondContact OG-N 2.79Å; S283-N286 VanDerWaalsContact OG-N 3.15Å; S283-H289 PolarHBondContact N-O 2.86Å
284	S	86	Confident	92.2	Very high	128 Å²	128	57.6 Å²	57.6	90%	0.895	31%	0.314	S	S	*	.	S	Bend	trans	-74.1	-26.4	169.4	56.1	0	0	0	0	112.4
285	K	86.7	Confident	92.8	Very high	195 Å²	195	52.5 Å²	52.5	85%	0.848	28%	0.277	S	S	*	.	S	Bend	trans	-82.7	-34.5	-178.4	-67.1	-175.1	178.4	-177.8	0	112.9	S283	S283-K285 VanDerWaalsContact C-N 3.33Å; S283-K285 PolarHBondContact OG-N 2.76Å
286	N	88.8	Confident	92.9	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.193	27%	0.268	C	S	.	.			trans	-126.3	106.1	-177.2	-173.3	-9.9	0	0	0	109.9	S283 Y288 H289	S283-N286 WeakPolarHBondContact CB-O 3.3Å; S283-N286 PolarHBondContact OG-N 2.79Å; S283-N286 VanDerWaalsContact OG-N 3.15Å; N286-Y288 VanDerWaalsContact C-N 3.27Å; N286-Y288 WeakPolarHBondContact ND2-CE2 3.46Å; N286-Y288 PolarHBondContact ND2-OH 2.84Å; N286-Y288 PolarHBondContact O-N 2.86Å; N286-Y288 WeakPolarHBondContact OD1-CD1 3.46Å; N286-Y288 VanDerWaalsContact OD1-CD2 3.27Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.35Å; N286-Y288 WeakPolarHBondContact OD1-CE1 3.44Å; N286-Y288 WeakPolarHBondContact OD1-CE2 3.07Å; N286-Y288 VanDerWaalsContact OD1-CG 3.29Å; N286-H289 HydrophobicContact CB-CB 3.81Å; N286-H289 PolarHBondContact O-N 2.74Å
287	P	87.9	Confident	93	Very high	60 Å²	60	50.1 Å²	50.1	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.5	-168.4	23.4	-33.1	0	0	0	113.4	W255 R257	W255-P287 HydrophobicContact CH2-CB 4.43Å; W255-P287 HydrophobicContact CZ3-CB 3.98Å; W255-P287 VanDerWaalsContact CZ3-O 3.26Å; W255-P287 WeakPolarHBondContact CZ3-O 3.37Å; R257-P287 PolarHBondContact NE-O 3.07Å; R257-P287 PolarHBondContact NH2-O 2.89Å
288	Y	92.8	Very high	93	Very high	46 Å²	46	54.9 Å²	54.9	18%	0.18	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.5	179.9	51.8	-98.9	0	0	0	113.7	R199 F227 E253 A254 N286	R199-Y288 HydrophobicContact CB-CE1 4.33Å; R199-Y288 HydrophobicContact CG-CE1 4.28Å; R199-Y288 HydrophobicContact CG-CE2 4.42Å; F227-Y288 HydrophobicContact CZ-CD1 4.38Å; F227-Y288 HydrophobicContact CZ-CD2 4.13Å; F227-Y288 AromaticContact CZ-CG 3.81Å; F227-Y288 HydrophobicContact CZ-CG 3.81Å; E253-Y288 CarbonylContact C-O 3.53Å; E253-Y288 VanDerWaalsContact CA-O 3.24Å; E253-Y288 WeakPolarHBondContact CA-O 3.48Å; E253-Y288 HydrophobicContact CB-CD2 4.06Å; E253-Y288 HydrophobicContact CG-CD2 4.18Å; E253-Y288 HydrophobicContact CG-CE2 4.42Å; A254-Y288 PolarHBondContact N-O 3.32Å; A254-Y288 WeakPolarHBondContact O-CA 3.15Å; A254-Y288 WeakPolarHBondContact O-CB 3.48Å; N286-Y288 VanDerWaalsContact C-N 3.27Å; N286-Y288 WeakPolarHBondContact ND2-CE2 3.46Å; N286-Y288 PolarHBondContact ND2-OH 2.84Å; N286-Y288 PolarHBondContact O-N 2.86Å; N286-Y288 WeakPolarHBondContact OD1-CD1 3.46Å; N286-Y288 VanDerWaalsContact OD1-CD2 3.27Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.35Å; N286-Y288 WeakPolarHBondContact OD1-CE1 3.44Å; N286-Y288 WeakPolarHBondContact OD1-CE2 3.07Å; N286-Y288 VanDerWaalsContact OD1-CG 3.29Å
289	H	94.3	Very high	93.1	Very high	40 Å²	40	52.5 Å²	52.5	19%	0.185	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	178.5	-174.8	-89.4	0	0	0	111.6	T251 S283 N286	T251-H289 WeakPolarHBondContact CG2-CE1 3.31Å; T251-H289 WeakPolarHBondContact CG2-NE2 3.14Å; S283-H289 PolarHBondContact N-O 2.86Å; N286-H289 HydrophobicContact CB-CB 3.81Å; N286-H289 PolarHBondContact O-N 2.74Å
290	S	96.6	Very high	93.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.1	179.7	59.5	0	0	0	0	111.2	G252 P258 F260 R281	G252-S290 PolarHBondContact N-O 2.79Å; G252-S290 PolarHBondContact O-N 2.84Å; G252-S290 VanDerWaalsContact O-O 3.08Å; P258-S290 VanDerWaalsContact CD-OG 3.25Å; P258-S290 WeakPolarHBondContact CD-OG 3.32Å; P258-S290 WeakPolarHBondContact CG-OG 3.38Å; F260-S290 WeakPolarHBondContact CE2-OG 3.43Å; R281-S290 CarbonylContact O-C 3.59Å; R281-S290 WeakPolarHBondContact O-CA 3.36Å
291	Q	96.7	Very high	93	Very high	50 Å²	50	51.2 Å²	51.2	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.8	-179.3	-56.5	-177	-45.6	0	0	110.1	I249 C250 T251 T280 R281 V293	I249-Q291 HydrophobicContact CG2-CB 4.12Å; I249-Q291 HydrophobicContact CG2-CG 4.26Å; C250-Q291 CarbonylContact O-C 3.59Å; C250-Q291 WeakPolarHBondContact O-CA 3.14Å; T251-Q291 HydrophobicContact CG2-CG 4.07Å; T251-Q291 PolarHBondContact OG1-NE2 3.39Å; T251-Q291 VanDerWaalsContact OG1-NE2 3.08Å; T280-Q291 CarbonylContact C-O 3.54Å; T280-Q291 VanDerWaalsContact CA-O 3.26Å; T280-Q291 WeakPolarHBondContact CA-O 3.5Å; R281-Q291 HydrophobicContact CB-CB 4.27Å; R281-Q291 PolarHBondContact N-O 3.41Å; R281-Q291 PolarHBondContact O-N 2.02Å; Q291-V293 HydrophobicContact CB-CG2 4.4Å
292	G	95.9	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.6	160.1	0	0	0	0	0	109.1	C250 W262	C250-G292 PolarHBondContact N-O 3.44Å; C250-G292 PolarHBondContact O-N 3.09Å; W262-G292 WeakPolarHBondContact CZ2-O 3.23Å
293	V	95.9	Very high	92.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.9	-179.6	-177.2	0	0	0	0	109.1	E247 L248 I249 M278 T279 R281 Q291 I295	E247-V293 HydrophobicContact CB-CG1 4.22Å; L248-V293 WeakPolarHBondContact O-CA 3.23Å; I249-V293 HydrophobicContact CG1-CG1 4.45Å; I249-V293 HydrophobicContact CG1-CG2 4.36Å; I249-V293 HydrophobicContact CG2-CG2 4.46Å; M278-V293 WeakPolarHBondContact CA-O 3.29Å; T279-V293 PolarHBondContact N-O 3.31Å; T279-V293 PolarHBondContact O-N 2.72Å; R281-V293 HydrophobicContact CG-CG2 4.02Å; Q291-V293 HydrophobicContact CB-CG2 4.4Å; V293-I295 HydrophobicContact CG1-CG1 3.97Å
294	L	95.8	Very high	93.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.6	169.6	176.1	66.1	0	0	0	109.1	E247 L248 W262 I269 F276 M278 I296 Y307	E247-L294 CarbonylContact C-O 3.57Å; E247-L294 WeakPolarHBondContact CA-O 2.89Å; L248-L294 HydrophobicContact CB-CB 4.36Å; L248-L294 HydrophobicContact CD1-CD2 4.27Å; L248-L294 PolarHBondContact N-O 2.82Å; L248-L294 PolarHBondContact O-N 2.92Å; W262-L294 HydrophobicContact CB-CD2 4.05Å; W262-L294 HydrophobicContact CD2-CB 3.58Å; W262-L294 HydrophobicContact CD2-CD2 3.97Å; W262-L294 HydrophobicContact CD2-CG 4.37Å; W262-L294 HydrophobicContact CE3-CB 4.05Å; W262-L294 HydrophobicContact CE3-CD2 3.93Å; W262-L294 HydrophobicContact CG-CB 3.87Å; W262-L294 HydrophobicContact CG-CD2 4.04Å; W262-L294 HydrophobicContact CG-CG 4.38Å; W262-L294 HydrophobicContact CH2-CB 4.36Å; W262-L294 HydrophobicContact CZ2-CB 3.94Å; W262-L294 HydrophobicContact CZ3-CB 4.41Å; I269-L294 HydrophobicContact CD1-CD2 3.61Å; I269-L294 HydrophobicContact CG2-CD1 4.28Å; F276-L294 HydrophobicContact CB-CD1 4.06Å; F276-L294 HydrophobicContact CD1-CD1 4.07Å; F276-L294 HydrophobicContact CG-CD1 4.45Å; M278-L294 HydrophobicContact CG-CD1 3.67Å; M278-L294 HydrophobicContact SD-CD1 4.39Å; L294-I296 HydrophobicContact CG-CG1 4.36Å; L294-Y307 HydrophobicContact CD2-CD1 3.6Å; L294-Y307 HydrophobicContact CD2-CE1 3.74Å
295	I	95.3	Very high	93.5	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.5	178.6	-56.6	-179.3	0	0	0	108.2	K245 V246 E247 F276 E277 V293	K245-I295 HydrophobicContact CD-CG2 4.19Å; K245-I295 HydrophobicContact CG-CG2 4.01Å; V246-I295 CarbonylContact O-C 3.57Å; V246-I295 WeakPolarHBondContact O-CA 3.45Å; E247-I295 HydrophobicContact CG-CG1 4.24Å; F276-I295 WeakPolarHBondContact CA-O 3.39Å; E277-I295 HydrophobicContact CB-CB 4.07Å; E277-I295 HydrophobicContact CB-CD1 4.49Å; E277-I295 PolarHBondContact N-O 2.77Å; E277-I295 PolarHBondContact O-N 3.33Å; V293-I295 HydrophobicContact CG1-CG1 3.97Å
296	I	95.1	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114	177.6	-49.9	169.8	0	0	0	108	K245 V246 L248 F276 L294 L299 D303 Y307 L324	K245-I296 WeakPolarHBondContact CA-O 3.34Å; V246-I296 HydrophobicContact CB-CB 4.46Å; V246-I296 PolarHBondContact N-O 3.22Å; V246-I296 PolarHBondContact O-N 2.82Å; L248-I296 HydrophobicContact CD1-CD1 4.06Å; L248-I296 HydrophobicContact CG-CD1 4.25Å; F276-I296 HydrophobicContact CD1-CB 4.5Å; F276-I296 HydrophobicContact CD1-CG1 3.97Å; F276-I296 HydrophobicContact CD1-CG2 4.35Å; F276-I296 HydrophobicContact CE1-CB 4.46Å; F276-I296 HydrophobicContact CE1-CD1 4.43Å; F276-I296 HydrophobicContact CE1-CG1 3.92Å; F276-I296 HydrophobicContact CE1-CG2 3.98Å; L294-I296 HydrophobicContact CG-CG1 4.36Å; I296-L299 HydrophobicContact CG2-CD1 3.96Å; I296-D303 HydrophobicContact CG2-CB 4.46Å; I296-Y307 HydrophobicContact CD1-CE1 4.01Å; I296-Y307 HydrophobicContact CD1-CE2 4.35Å; I296-Y307 WeakPolarHBondContact CD1-OH 3.28Å; I296-L324 HydrophobicContact CD1-CD2 3.58Å
297	N	94.4	Very high	94.2	Very high	30 Å²	30	39.7 Å²	39.7	16%	0.16	21%	0.209	C	C	.	.	S	Bend	trans	-87.1	140.2	178.3	-69.4	-44.3	0	0	0	110.9	K245 S274 K275 E277 L299	K245-N297 WeakPolarHBondContact CE-OD1 3.29Å; S274-N297 PolarHBondContact O-ND2 3.22Å; K275-N297 WeakPolarHBondContact CD-O 3.42Å; K275-N297 PolarHBondContact NZ-O 3.16Å; K275-N297 PolarHBondContact O-N 3.34Å; E277-N297 PolarHBondContact OE1-ND2 2.77Å; N297-L299 PolarHBondContact O-N 2.91Å
298	K	93.6	Very high	94.6	Very high	172 Å²	172	40 Å²	40	75%	0.748	20%	0.203	S	C	*	.	S	Bend	trans	47.6	63.7	176.9	-62.1	178.8	-179.5	176.1	0	112.3	S244 K275 S300	S244-K298 PolarHBondContact O-N 3.06Å; K275-K298 PolarHBondContact NZ-O 2.86Å; K298-S300 PolarHBondContact O-N 3.41Å
299	L	94.8	Very high	94.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.194	C	C	.	.			trans	-49.9	133.1	-176.3	-170.9	72.9	0	0	0	112.3	A240 S241 I242 G243 S244 V246 I296 N297 D303 F304 L324	A240-L299 HydrophobicContact CB-CD2 3.54Å; S241-L299 WeakPolarHBondContact O-CD2 3.26Å; I242-L299 CarbonylContact C-O 3.53Å; I242-L299 WeakPolarHBondContact CA-O 3.21Å; I242-L299 WeakPolarHBondContact CG2-O 3.4Å; G243-L299 PolarHBondContact N-O 3.02Å; S244-L299 WeakPolarHBondContact O-CB 3.26Å; S244-L299 PolarHBondContact O-N 3.43Å; V246-L299 HydrophobicContact CG2-CB 4.36Å; V246-L299 HydrophobicContact CG2-CD1 4.33Å; V246-L299 HydrophobicContact CG2-CD2 3.91Å; V246-L299 HydrophobicContact CG2-CG 4.45Å; I296-L299 HydrophobicContact CG2-CD1 3.96Å; N297-L299 PolarHBondContact O-N 2.91Å; L299-D303 HydrophobicContact CD1-CB 3.62Å; L299-F304 HydrophobicContact CD2-CE1 3.57Å; L299-F304 HydrophobicContact CD2-CZ 3.85Å; L299-F304 HydrophobicContact CG-CE1 4.26Å; L299-F304 HydrophobicContact CG-CZ 4.41Å; L299-L324 HydrophobicContact CD1-CD2 3.77Å
300	S	93.9	Very high	94.8	Very high	37 Å²	37	39.1 Å²	39.1	26%	0.259	20%	0.199	S	C	.	.			trans	-117.3	170.5	176.5	74.2	0	0	0	0	110	K298 E302 D303	K298-S300 PolarHBondContact O-N 3.41Å; S300-E302 PolarHBondContact O-N 2.8Å; S300-E302 PolarHBondContact OG-N 3.08Å; S300-D303 WeakPolarHBondContact CA-OD2 3.24Å; S300-D303 WeakPolarHBondContact CB-OD2 3.31Å; S300-D303 PolarHBondContact N-OD2 2.75Å; S300-D303 PolarHBondContact O-N 3.04Å; S300-D303 PolarHBondContact OG-OD2 2.52Å
301	S	92.2	Very high	94.9	Very high	82 Å²	82	39.1 Å²	39.1	57%	0.573	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-63.4	-25.2	175.1	47.3	0	0	0	0	113.6	D303 F304	S301-D303 VanDerWaalsContact C-N 3.31Å; S301-F304 WeakPolarHBondContact O-CD2 3.29Å
302	E	91.6	Very high	94.9	Very high	170 Å²	170	40.3 Å²	40.3	79%	0.794	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-77.4	-18.3	-179.1	-63.2	174.2	-169.3	0	0	112.7	S300 F304	S300-E302 PolarHBondContact O-N 2.8Å; S300-E302 PolarHBondContact OG-N 3.08Å; E302-F304 VanDerWaalsContact C-N 3.32Å
303	D	93.1	Very high	95	Very high	14 Å²	14	41.3 Å²	41.3	8%	0.075	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-84.6	-7.6	179.1	-55.3	-59.3	0	0	0	112.8	K275 I296 L299 S300 S301 Y307	K275-D303 WeakPolarHBondContact CE-OD1 3.43Å; K275-D303 WeakPolarHBondContact CE-OD2 3.46Å; K275-D303 IonicContact NZ-OD1 3.54Å; K275-D303 IonicContact NZ-OD2 2.64Å; K275-D303 PolarHBondContact NZ-OD2 2.83Å; I296-D303 HydrophobicContact CG2-CB 4.46Å; L299-D303 HydrophobicContact CD1-CB 3.62Å; S300-D303 WeakPolarHBondContact CA-OD2 3.24Å; S300-D303 WeakPolarHBondContact CB-OD2 3.31Å; S300-D303 PolarHBondContact N-OD2 2.75Å; S300-D303 PolarHBondContact O-N 3.04Å; S300-D303 PolarHBondContact OG-OD2 2.52Å; S301-D303 VanDerWaalsContact C-N 3.31Å; D303-Y307 VanDerWaalsContact O-CE2 3.27Å; D303-Y307 WeakPolarHBondContact O-CE2 3.38Å; D303-Y307 PolarHBondContact O-OH 2.83Å
304	F	94.4	Very high	95	Very high	50 Å²	50	49.2 Å²	49.2	22%	0.219	25%	0.247	C	C	.	.			trans	-72.3	142.7	174.9	-65	-53.3	0	0	0	110.5	I242 L299 S301 E302 L324 R325	I242-F304 HydrophobicContact CD1-CE2 4.35Å; I242-F304 HydrophobicContact CG1-CE2 4.01Å; I242-F304 HydrophobicContact CG1-CZ 4.03Å; L299-F304 HydrophobicContact CD2-CE1 3.57Å; L299-F304 HydrophobicContact CD2-CZ 3.85Å; L299-F304 HydrophobicContact CG-CE1 4.26Å; L299-F304 HydrophobicContact CG-CZ 4.41Å; S301-F304 WeakPolarHBondContact O-CD2 3.29Å; E302-F304 VanDerWaalsContact C-N 3.32Å; F304-L324 HydrophobicContact CD1-CG 4.1Å; F304-L324 WeakPolarHBondContact CD1-O 3.04Å; F304-R325 VanDerWaalsContact CE1-C 3.41Å
305	G	93.8	Very high	95	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-168.9	-178.6	0	0	0	0	0	113.1	L324	G305-L324 PolarHBondContact N-O 2.99Å; G305-L324 VanDerWaalsContact N-O 3.16Å; G305-L324 PolarHBondContact O-N 3.07Å
306	T	95	Very high	95.1	Very high	50 Å²	50	54.2 Å²	54.2	31%	0.307	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.1	179.3	-55.3	0	0	0	0	109.7	N265 E321	N265-T306 PolarHBondContact N-O 3.18Å; T306-E321 HydrophobicContact CG2-CB 3.79Å; T306-E321 HydrophobicContact CG2-CG 4.05Å
307	Y	95.4	Very high	95.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.4	172.9	-70.1	-102.5	0	0	0	109	L248 S263 I264 I269 F276 L294 I296 D303 E321 I322 L324	L248-Y307 HydrophobicContact CD1-CD1 3.69Å; L248-Y307 HydrophobicContact CD1-CD2 3.6Å; L248-Y307 HydrophobicContact CD1-CE1 4.1Å; L248-Y307 HydrophobicContact CD1-CE2 4.05Å; L248-Y307 HydrophobicContact CD1-CG 3.41Å; L248-Y307 VanDerWaalsContact CD1-CG 3.41Å; S263-Y307 CarbonylContact O-C 3.59Å; S263-Y307 WeakPolarHBondContact O-CA 3.44Å; I264-Y307 HydrophobicContact CB-CD1 4.08Å; I264-Y307 HydrophobicContact CB-CE1 4.06Å; I264-Y307 HydrophobicContact CD1-CE1 3.92Å; I264-Y307 HydrophobicContact CD1-CE2 3.85Å; I264-Y307 HydrophobicContact CG1-CD1 4.37Å; I264-Y307 HydrophobicContact CG1-CD2 4.5Å; I264-Y307 HydrophobicContact CG1-CE1 4.2Å; I264-Y307 HydrophobicContact CG1-CE2 4.3Å; I269-Y307 HydrophobicContact CD1-CD1 3.86Å; I269-Y307 HydrophobicContact CD1-CE1 3.78Å; F276-Y307 HydrophobicContact CE1-CE1 4.45Å; L294-Y307 HydrophobicContact CD2-CD1 3.6Å; L294-Y307 HydrophobicContact CD2-CE1 3.74Å; I296-Y307 HydrophobicContact CD1-CE1 4.01Å; I296-Y307 HydrophobicContact CD1-CE2 4.35Å; I296-Y307 WeakPolarHBondContact CD1-OH 3.28Å; D303-Y307 VanDerWaalsContact O-CE2 3.27Å; D303-Y307 WeakPolarHBondContact O-CE2 3.38Å; D303-Y307 PolarHBondContact O-OH 2.83Å; Y307-E321 CarbonylContact O-C 3.5Å; Y307-E321 WeakPolarHBondContact O-CA 3.25Å; Y307-I322 PolarHBondContact N-O 3.39Å; Y307-I322 PolarHBondContact O-N 3.48Å; Y307-L324 HydrophobicContact CD2-CB 4.05Å; Y307-L324 HydrophobicContact CE2-CB 3.83Å; Y307-L324 HydrophobicContact CE2-CD2 3.87Å
308	R	95.8	Very high	95.4	Very high	65 Å²	65	59.3 Å²	59.3	25%	0.245	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.9	171.9	179.4	-178.7	-65.3	157	8.4	109.4	W262 S263 E266 T319 I320 E321	W262-R308 CarbonylContact C-O 3.58Å; W262-R308 WeakPolarHBondContact CA-O 3.34Å; S263-R308 PolarHBondContact N-O 3.31Å; S263-R308 PolarHBondContact O-N 2.8Å; S263-R308 WeakPolarHBondContact OG-CB 3.17Å; S263-R308 PolarHBondContact OG-O 3.24Å; E266-R308 VanDerWaalsContact CD-NH1 3.32Å; E266-R308 IonicContact OE1-CZ 2.85Å; E266-R308 IonicContact OE1-NH1 3.79Å; E266-R308 PolarHBondContact OE1-NH1 3.01Å; E266-R308 IonicContact OE1-NH2 2.72Å; E266-R308 PolarHBondContact OE1-NH2 3.01Å; E266-R308 IonicContact OE2-CZ 2.73Å; E266-R308 IonicContact OE2-NH1 3.63Å; E266-R308 PolarHBondContact OE2-NH1 3.43Å; R308-T319 HydrophobicContact CG-CG2 4.4Å; R308-I320 WeakPolarHBondContact CA-O 3.45Å; R308-E321 HydrophobicContact CB-CG 4.46Å; R308-E321 IonicContact CZ-OE1 3.13Å; R308-E321 IonicContact NE-OE1 3.16Å; R308-E321 IonicContact NH2-OE1 2.67Å; R308-E321 PolarHBondContact NH2-OE1 2.79Å
309	C	95.9	Very high	95.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.9	168.1	167.6	0	0	0	0	109.1	C250 S261 W262 T319 I320	C250-C309 HydrophobicContact CB-CB 3.49Å; C250-C309 VanDerWaalsContact CB-CB 3.49Å; C250-C309 WeakPolarHBondContact CB-SG 3.39Å; C250-C309 WeakPolarHBondContact SG-CB 3.37Å; C250-C309 CovalentContact SG-SG 2.03Å; C250-C309 PolarHBondContact SG-SG 3.33Å; S261-C309 WeakPolarHBondContact O-CA 3.19Å; W262-C309 HydrophobicContact CD2-CB 4.23Å; W262-C309 HydrophobicContact CE3-CB 3.95Å; W262-C309 HydrophobicContact CH2-CB 3.95Å; W262-C309 HydrophobicContact CZ2-CB 4.21Å; W262-C309 HydrophobicContact CZ3-CB 3.81Å; C309-T319 CarbonylContact O-C 3.52Å; C309-T319 WeakPolarHBondContact O-CA 3.5Å; C309-I320 HydrophobicContact CB-CG2 4.13Å; C309-I320 PolarHBondContact N-O 2.83Å; C309-I320 PolarHBondContact O-N 2.98Å
310	K	96.2	Very high	95.5	Very high	68 Å²	68	56.6 Å²	56.6	30%	0.296	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.4	171.5	-178.1	-167.4	-172.1	-155.1	0	109.2	F260 S261 E312 T317 E318 T319	F260-K310 CarbonylContact C-O 3.6Å; F260-K310 WeakPolarHBondContact CA-O 3.49Å; S261-K310 PolarHBondContact N-O 2.7Å; S261-K310 PolarHBondContact O-N 3.45Å; K310-E312 WeakPolarHBondContact CE-OE2 3.4Å; K310-E312 IonicContact NZ-OE1 2.88Å; K310-E312 IonicContact NZ-OE2 3.32Å; K310-E312 PolarHBondContact NZ-OE2 3.22Å; K310-T317 HydrophobicContact CD-CG2 4.11Å; K310-T317 HydrophobicContact CG-CG2 3.77Å; K310-E318 WeakPolarHBondContact CA-O 3.41Å; K310-T319 HydrophobicContact CB-CG2 3.88Å; K310-T319 HydrophobicContact CG-CG2 3.87Å
311	A	97.8	Very high	95.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	168.9	0	0	0	0	0	109.9	P229 L231 P258 T259 F260 T317 E318	P229-A311 HydrophobicContact CB-CB 3.91Å; P229-A311 HydrophobicContact CG-CB 4.34Å; L231-A311 HydrophobicContact CD2-CB 3.67Å; L231-A311 HydrophobicContact CG-CB 4.29Å; P258-A311 HydrophobicContact CB-CB 4.09Å; P258-A311 HydrophobicContact CG-CB 4.39Å; T259-A311 WeakPolarHBondContact O-CA 3.29Å; F260-A311 HydrophobicContact CD1-CB 3.96Å; F260-A311 HydrophobicContact CE1-CB 3.77Å; F260-A311 HydrophobicContact CZ-CB 4.5Å; A311-T317 CarbonylContact O-C 3.55Å; A311-T317 WeakPolarHBondContact O-CA 3.31Å; A311-E318 PolarHBondContact N-O 3.08Å; A311-E318 PolarHBondContact O-N 2.98Å
312	E	97.4	Very high	95.7	Very high	76 Å²	76	55.6 Å²	55.6	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.1	-173.1	178.1	165.4	-154.1	0	0	111.9	P258 T259 K310 G316 T317	P258-E312 CarbonylContact C-O 3.5Å; P258-E312 WeakPolarHBondContact CA-O 3.19Å; P258-E312 WeakPolarHBondContact CB-O 3.36Å; T259-E312 PolarHBondContact N-O 2.74Å; T259-E312 PolarHBondContact O-N 2.75Å; T259-E312 PolarHBondContact OG1-O 3.22Å; K310-E312 WeakPolarHBondContact CE-OE2 3.4Å; K310-E312 IonicContact NZ-OE1 2.88Å; K310-E312 IonicContact NZ-OE2 3.32Å; K310-E312 PolarHBondContact NZ-OE2 3.22Å; E312-G316 WeakPolarHBondContact CA-O 3.39Å; E312-T317 VanDerWaalsContact CG-OG1 3.31Å; E312-T317 WeakPolarHBondContact CG-OG1 3.48Å; E312-T317 PolarHBondContact OE1-OG1 2.73Å
313	N	97.2	Very high	95.9	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.112	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	-178.3	165.1	75.1	2.4	0	0	0	109.8	F227 G228 P229 P256 Y315 G316	F227-N313 PolarHBondContact O-ND2 3.17Å; G228-N313 WeakPolarHBondContact CA-OD1 3.18Å; P229-N313 WeakPolarHBondContact CD-OD1 3.43Å; P256-N313 PolarHBondContact O-ND2 3.12Å; N313-Y315 PolarHBondContact O-N 3.25Å; N313-Y315 WeakPolarHBondContact OD1-CA 3.24Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.39Å; N313-Y315 PolarHBondContact OD1-N 2.97Å; N313-G316 PolarHBondContact N-O 2.87Å; N313-G316 PolarHBondContact O-N 3.25Å; N313-G316 VanDerWaalsContact O-N 3.16Å; N313-G316 PolarHBondContact OD1-N 2.85Å
314	E	97	Very high	96	Very high	167 Å²	167	49.6 Å²	49.6	78%	0.78	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.1	-178.8	-59.6	176.2	112.8	0	0	114.4
315	Y	96.2	Very high	96	Very high	84 Å²	84	52.4 Å²	52.4	33%	0.329	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-1.5	-176.1	-64.5	-89.8	0	0	0	113.5	K145 H226 N313	K145-Y315 HydrophobicContact CD-CD1 4.44Å; K145-Y315 HydrophobicContact CG-CD1 4.27Å; K145-Y315 HydrophobicContact CG-CE1 4.42Å; H226-Y315 HydrophobicContact CB-CD1 4.29Å; H226-Y315 HydrophobicContact CB-CD2 3.99Å; H226-Y315 HydrophobicContact CB-CE1 3.79Å; H226-Y315 HydrophobicContact CB-CE2 3.48Å; H226-Y315 VanDerWaalsContact CB-CE2 3.48Å; H226-Y315 HydrophobicContact CB-CG 4.38Å; H226-Y315 AromaticContact CG-CE2 3.73Å; H226-Y315 AromaticContact CG-CZ 3.75Å; H226-Y315 AromaticContact ND1-CE2 3.28Å; H226-Y315 VanDerWaalsContact ND1-CE2 3.28Å; H226-Y315 WeakPolarHBondContact ND1-CE2 3.33Å; H226-Y315 AromaticContact ND1-CZ 3.34Å; H226-Y315 VanDerWaalsContact ND1-CZ 3.34Å; H226-Y315 PolarHBondContact ND1-OH 3.13Å; N313-Y315 PolarHBondContact O-N 3.25Å; N313-Y315 WeakPolarHBondContact OD1-CA 3.24Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.39Å; N313-Y315 PolarHBondContact OD1-N 2.97Å
316	G	97	Very high	95.9	Very high	30 Å²	30	53 Å²	53	31%	0.309	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-179.3	174.5	0	0	0	0	0	114.5	P229 E312 N313	P229-G316 VanDerWaalsContact CD-C 3.49Å; P229-G316 VanDerWaalsContact CD-O 3.22Å; P229-G316 WeakPolarHBondContact CD-O 3.3Å; E312-G316 WeakPolarHBondContact CA-O 3.39Å; N313-G316 PolarHBondContact N-O 2.87Å; N313-G316 PolarHBondContact O-N 3.25Å; N313-G316 VanDerWaalsContact O-N 3.16Å; N313-G316 PolarHBondContact OD1-N 2.85Å
317	T	97.7	Very high	95.6	Very high	70 Å²	70	56.4 Å²	56.4	43%	0.429	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.3	177	-76.1	0	0	0	0	108.7	K310 A311 E312	K310-T317 HydrophobicContact CD-CG2 4.11Å; K310-T317 HydrophobicContact CG-CG2 3.77Å; A311-T317 CarbonylContact O-C 3.55Å; A311-T317 WeakPolarHBondContact O-CA 3.31Å; E312-T317 VanDerWaalsContact CG-OG1 3.31Å; E312-T317 WeakPolarHBondContact CG-OG1 3.48Å; E312-T317 PolarHBondContact OE1-OG1 2.73Å
318	E	97.4	Very high	94.6	Very high	67 Å²	67	61.4 Å²	61.4	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.3	168.5	-166	175.2	-169.5	0	0	110.9	P229 K230 L231 K310 A311	P229-E318 HydrophobicContact CB-CB 4.45Å; K230-E318 VanDerWaalsContact C-OE2 3.25Å; K230-E318 WeakPolarHBondContact CA-OE2 3.31Å; L231-E318 HydrophobicContact CB-CG 4.4Å; L231-E318 HydrophobicContact CD1-CB 4.18Å; L231-E318 HydrophobicContact CD1-CG 4.09Å; L231-E318 HydrophobicContact CG-CB 4.16Å; L231-E318 HydrophobicContact CG-CG 4.15Å; L231-E318 PolarHBondContact N-OE2 3.32Å; K310-E318 WeakPolarHBondContact CA-O 3.41Å; A311-E318 PolarHBondContact N-O 3.08Å; A311-E318 PolarHBondContact O-N 2.98Å
319	T	96.2	Very high	93.1	Very high	74 Å²	74	66.4 Å²	66.4	45%	0.454	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.2	-179	56.4	0	0	0	0	111.6	R308 C309 K310	R308-T319 HydrophobicContact CG-CG2 4.4Å; C309-T319 CarbonylContact O-C 3.52Å; C309-T319 WeakPolarHBondContact O-CA 3.5Å; K310-T319 HydrophobicContact CB-CG2 3.88Å; K310-T319 HydrophobicContact CG-CG2 3.87Å
320	I	95.3	Very high	91.3	Very high	44 Å²	44	70.6 Å²	70.6	23%	0.226	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.9	171.9	-162.8	168.7	0	0	0	110.5	L231 R308 C309	L231-I320 HydrophobicContact CD1-CB 3.85Å; L231-I320 HydrophobicContact CD1-CG2 3.81Å; R308-I320 WeakPolarHBondContact CA-O 3.45Å; C309-I320 HydrophobicContact CB-CG2 4.13Å; C309-I320 PolarHBondContact N-O 2.83Å; C309-I320 PolarHBondContact O-N 2.98Å
321	E	95	Very high	89.1	Confident	97 Å²	97	75.5 Å²	75.5	45%	0.453	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.7	177.1	-66.4	-173.2	168.1	0	0	111.4	T306 Y307 R308	T306-E321 HydrophobicContact CG2-CB 3.79Å; T306-E321 HydrophobicContact CG2-CG 4.05Å; Y307-E321 CarbonylContact O-C 3.5Å; Y307-E321 WeakPolarHBondContact O-CA 3.25Å; R308-E321 HydrophobicContact CB-CG 4.46Å; R308-E321 IonicContact CZ-OE1 3.13Å; R308-E321 IonicContact NE-OE1 3.16Å; R308-E321 IonicContact NH2-OE1 2.67Å; R308-E321 PolarHBondContact NH2-OE1 2.79Å
322	I	94.7	Very high	86.7	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.5	179.4	-57.9	178.8	0	0	0	107.5	I238 L248 W262 Y307	I238-I322 HydrophobicContact CD1-CG2 3.58Å; I238-I322 HydrophobicContact CG1-CG2 4.03Å; L248-I322 HydrophobicContact CD2-CG2 4.34Å; W262-I322 HydrophobicContact CH2-CD1 3.84Å; W262-I322 HydrophobicContact CZ3-CD1 3.96Å; Y307-I322 PolarHBondContact N-O 3.39Å; Y307-I322 PolarHBondContact O-N 3.48Å
323	E	94.8	Very high	84.4	Confident	57 Å²	57	83.7 Å²	83.7	27%	0.266	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.8	179.7	-167.9	-178.1	-175.8	0	0	110.3	N236 P237 I238 R325	N236-E323 WeakPolarHBondContact OD1-CB 3.44Å; N236-E323 PolarHBondContact OD1-N 2.6Å; P237-E323 CarbonylContact C-O 3.48Å; P237-E323 WeakPolarHBondContact CA-O 3.3Å; P237-E323 HydrophobicContact CB-CB 4.08Å; P237-E323 HydrophobicContact CB-CG 4.42Å; P237-E323 WeakPolarHBondContact CB-O 3.41Å; I238-E323 PolarHBondContact N-O 2.67Å; E323-R325 HydrophobicContact CG-CG 4.1Å; E323-R325 IonicContact OE1-CZ 2.99Å; E323-R325 IonicContact OE1-NE 3.79Å; E323-R325 PolarHBondContact OE1-NE 2.81Å; E323-R325 IonicContact OE1-NH2 2.84Å; E323-R325 PolarHBondContact OE1-NH2 2.82Å; E323-R325 IonicContact OE2-CZ 3.79Å; E323-R325 VanDerWaalsContact OE2-CZ 3.28Å; E323-R325 IonicContact OE2-NE 2.68Å; E323-R325 PolarHBondContact OE2-NE 2.85Å; E323-R325 IonicContact OE2-NH2 3.02Å; E323-R325 PolarHBondContact OE2-NH2 3.24Å
324	L	95.3	Very high	82.1	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.01	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.1	175.8	-177.9	59.5	0	0	0	109.8	I238 A240 V246 L248 I296 L299 F304 G305 Y307	I238-L324 HydrophobicContact CB-CD1 4.26Å; I238-L324 HydrophobicContact CG2-CD1 4.01Å; A240-L324 HydrophobicContact CB-CD1 4Å; V246-L324 HydrophobicContact CG1-CD1 4.05Å; L248-L324 HydrophobicContact CD2-CD1 4.21Å; L248-L324 HydrophobicContact CD2-CD2 4.47Å; I296-L324 HydrophobicContact CD1-CD2 3.58Å; L299-L324 HydrophobicContact CD1-CD2 3.77Å; F304-L324 HydrophobicContact CD1-CG 4.1Å; F304-L324 WeakPolarHBondContact CD1-O 3.04Å; G305-L324 PolarHBondContact N-O 2.99Å; G305-L324 VanDerWaalsContact N-O 3.16Å; G305-L324 PolarHBondContact O-N 3.07Å; Y307-L324 HydrophobicContact CD2-CB 4.05Å; Y307-L324 HydrophobicContact CE2-CB 3.83Å; Y307-L324 HydrophobicContact CE2-CD2 3.87Å
325	R	94.9	Very high	80	Confident	109 Å²	109	84.1 Å²	84.1	41%	0.411	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.6	-179.8	-66.1	-172.9	176.1	175	2.9	112	P237 I238 Y239 A240 F304 E323	P237-R325 HydrophobicContact CB-CG 4.15Å; I238-R325 PolarHBondContact O-N 2.8Å; Y239-R325 CarbonylContact C-O 3.6Å; Y239-R325 VanDerWaalsContact CA-O 3.31Å; Y239-R325 WeakPolarHBondContact CA-O 3.3Å; Y239-R325 HydrophobicContact CD1-CB 3.75Å; Y239-R325 HydrophobicContact CE1-CB 3.75Å; Y239-R325 HydrophobicContact CE1-CG 4.47Å; A240-R325 PolarHBondContact N-O 3.43Å; F304-R325 VanDerWaalsContact CE1-C 3.41Å; E323-R325 HydrophobicContact CG-CG 4.1Å; E323-R325 IonicContact OE1-CZ 2.99Å; E323-R325 IonicContact OE1-NE 3.79Å; E323-R325 PolarHBondContact OE1-NE 2.81Å; E323-R325 IonicContact OE1-NH2 2.84Å; E323-R325 PolarHBondContact OE1-NH2 2.82Å; E323-R325 IonicContact OE2-CZ 3.79Å; E323-R325 VanDerWaalsContact OE2-CZ 3.28Å; E323-R325 IonicContact OE2-NE 2.68Å; E323-R325 PolarHBondContact OE2-NE 2.85Å; E323-R325 IonicContact OE2-NH2 3.02Å; E323-R325 PolarHBondContact OE2-NH2 3.24Å
326	G	92.4	Very high	78.1	Confident	32 Å²	32	86.8 Å²	86.8	33%	0.33	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.1	170	0	0	0	0	0	110.7	A240	A240-G326 CarbonylContact O-C 3.5Å; A240-G326 WeakPolarHBondContact O-CA 3.4Å
327	K	87.4	Confident	76.2	Confident	122 Å²	122	91.7 Å²	91.7	53%	0.53	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-55.2	124.2	169.7	-85.2	-178.6	-177.1	-179.4	0	108.2	Y239 A240 F329	Y239-K327 WeakPolarHBondContact O-CE 3.37Å; A240-K327 PolarHBondContact O-N 2.79Å; K327-F329 PolarHBondContact O-N 3.11Å
328	P	75.8	Confident	74.3	Confident	104 Å²	104	92.7 Å²	92.7	68%	0.675	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-56.7	129.3	175	21.8	-30.2	0	0	0	107.8	A330	P328-A330 PolarHBondContact O-N 2.8Å
329	F	63.4	Low	72.5	Confident	170 Å²	170	94.1 Å²	94.1	75%	0.746	49%	0.487	S	S	*	.			trans	-58.4	113.5	173.7	-130.2	-92.2	0	0	0	106.4	K327 Q331	K327-F329 PolarHBondContact O-N 3.11Å; F329-Q331 VanDerWaalsContact C-N 3.32Å; F329-Q331 PolarHBondContact O-N 3.1Å
330	A	58.6	Low	70.9	Confident	89 Å²	89	95.1 Å²	95.1	74%	0.736	49%	0.488	S	S	*	.			trans	-62.1	103.3	168.8	0	0	0	0	0	105.6	P328 P332	P328-A330 PolarHBondContact O-N 2.8Å; A330-P332 WeakPolarHBondContact O-CD 2.89Å; A330-P332 VanDerWaalsContact O-N 3.15Å
331	Q	50	Low	69.2	Low	170 Å²	170	98.4 Å²	98.4	79%	0.794	50%	0.503	S	S	*	.			trans	-54.9	125.9	169.1	-75.6	-170.8	-12	0	0	105.6	F329 I333	F329-Q331 VanDerWaalsContact C-N 3.32Å; F329-Q331 PolarHBondContact O-N 3.1Å; Q331-I333 PolarHBondContact O-N 2.94Å
332	P	47.7	Very low	67.5	Low	90 Å²	90	98.1 Å²	98.1	58%	0.584	50%	0.498	S	S	*	.			trans	-55.6	119.5	168.5	21.7	-28.2	0	0	0	105.5	A330 C334	A330-P332 WeakPolarHBondContact O-CD 2.89Å; A330-P332 VanDerWaalsContact O-N 3.15Å; P332-C334 PolarHBondContact O-N 3.15Å
333	I	48.8	Very low	65.9	Low	159 Å²	159	105.3 Å²	105.3	82%	0.815	53%	0.525	S	S	*	.			trans	-56.2	96.8	171.7	-60.9	168.8	0	0	0	104.5	Q331 H335	Q331-I333 PolarHBondContact O-N 2.94Å; I333-H335 PolarHBondContact O-N 3.12Å
334	C	48.6	Very low	64.4	Low	88 Å²	88	109.9 Å²	109.9	60%	0.595	54%	0.541	S	S	*	.			trans	-65.5	109.1	171.7	-73.9	0	0	0	0	103.4	P332 F336	P332-C334 PolarHBondContact O-N 3.15Å; C334-F336 PolarHBondContact O-N 2.87Å
335	H	53.6	Low	62.6	Low	108 Å²	108	114 Å²	114	50%	0.5	56%	0.562	S	S	.	*			trans	-61	87.6	175	-140	-82.6	0	0	0	106.7	I333 E337 L338 Y339	I333-H335 PolarHBondContact O-N 3.12Å; H335-E337 IonicContact CE1-OE2 3.25Å; H335-E337 PolarHBondContact O-N 3.49Å; H335-L338 HydrophobicContact CB-CB 4.07Å; H335-L338 HydrophobicContact CB-CD1 3.72Å; H335-L338 HydrophobicContact CB-CG 4Å; H335-L338 WeakPolarHBondContact O-CB 3.41Å; H335-L338 PolarHBondContact O-N 2.74Å; H335-Y339 PolarHBondContact O-N 2.86Å
336	F	56.2	Low	60.9	Low	140 Å²	140	115 Å²	115	61%	0.614	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-31.1	-172.8	-151.9	-96.7	0	0	0	109.6	C334 L338 Y339 I340	C334-F336 PolarHBondContact O-N 2.87Å; F336-L338 PolarHBondContact O-N 2.86Å; F336-Y339 PolarHBondContact O-N 3.06Å; F336-I340 HydrophobicContact CD1-CD1 3.68Å; F336-I340 HydrophobicContact CD1-CG1 4.09Å; F336-I340 HydrophobicContact CE1-CD1 3.82Å; F336-I340 HydrophobicContact CE1-CG1 4.24Å; F336-I340 WeakPolarHBondContact O-CG1 3.44Å; F336-I340 PolarHBondContact O-N 3.45Å
337	E	57.3	Low	59.2	Low	134 Å²	134	123.6 Å²	123.6	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-58.1	-42.2	169.2	-79.2	178.8	143.4	0	0	113.6	H335 Y339 Q341	H335-E337 IonicContact CE1-OE2 3.25Å; H335-E337 PolarHBondContact O-N 3.49Å; E337-Y339 VanDerWaalsContact C-N 3.33Å; E337-Y339 PolarHBondContact O-N 2.81Å; E337-Q341 WeakPolarHBondContact O-CB 3.42Å; E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.32Å; E337-Q341 PolarHBondContact O-N 3.34Å
338	L	56	Low	57.6	Low	90 Å²	90	121.2 Å²	121.2	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-70	-33.3	178.4	-73.9	171.7	0	0	0	111.3	H335 F336 W342	H335-L338 HydrophobicContact CB-CB 4.07Å; H335-L338 HydrophobicContact CB-CD1 3.72Å; H335-L338 HydrophobicContact CB-CG 4Å; H335-L338 WeakPolarHBondContact O-CB 3.41Å; H335-L338 PolarHBondContact O-N 2.74Å; F336-L338 PolarHBondContact O-N 2.86Å; L338-W342 VanDerWaalsContact O-CB 3.27Å; L338-W342 WeakPolarHBondContact O-CB 3.25Å; L338-W342 PolarHBondContact O-N 2.93Å
339	Y	60	Low	56.4	Low	97 Å²	97	120.7 Å²	120.7	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-70.7	-42.9	176.5	-179.4	-104.5	0	0	0	112.4	H335 F336 E337 W342 R343	H335-Y339 PolarHBondContact O-N 2.86Å; F336-Y339 PolarHBondContact O-N 3.06Å; E337-Y339 VanDerWaalsContact C-N 3.33Å; E337-Y339 PolarHBondContact O-N 2.81Å; Y339-W342 PolarHBondContact O-N 2.8Å; Y339-R343 HydrophobicContact CE1-CG 4.41Å; Y339-R343 PolarHBondContact O-N 2.85Å; Y339-R343 VanDerWaalsContact OH-CZ 3.29Å; Y339-R343 PolarHBondContact OH-NE 2.98Å; Y339-R343 PolarHBondContact OH-NH2 2.81Å
340	I	62.8	Low	55.6	Low	96 Å²	96	120.3 Å²	120.3	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-46	175.5	-67.8	-179.5	0	0	0	110.4	F336 W342 R343 Y344	F336-I340 HydrophobicContact CD1-CD1 3.68Å; F336-I340 HydrophobicContact CD1-CG1 4.09Å; F336-I340 HydrophobicContact CE1-CD1 3.82Å; F336-I340 HydrophobicContact CE1-CG1 4.24Å; F336-I340 WeakPolarHBondContact O-CG1 3.44Å; F336-I340 PolarHBondContact O-N 3.45Å; I340-W342 VanDerWaalsContact C-N 3.29Å; I340-W342 PolarHBondContact O-N 2.86Å; I340-R343 PolarHBondContact O-N 2.8Å; I340-Y344 WeakPolarHBondContact O-CB 3.41Å; I340-Y344 PolarHBondContact O-N 2.9Å
341	Q	59.5	Low	55	Low	112 Å²	112	123.3 Å²	123.3	52%	0.523	59%	0.588	S	S	.	*	H	α-helix	trans	-59.1	-40.9	175.8	-77.8	-178.9	-10.4	0	0	111.8	E337 Y344 L345	E337-Q341 WeakPolarHBondContact O-CB 3.42Å; E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.32Å; E337-Q341 PolarHBondContact O-N 3.34Å; Q341-Y344 PolarHBondContact O-N 3.16Å; Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 WeakPolarHBondContact O-CD1 3.46Å; Q341-L345 VanDerWaalsContact O-CG 3.23Å; Q341-L345 WeakPolarHBondContact O-CG 3.47Å; Q341-L345 PolarHBondContact O-N 2.82Å
342	W	60.4	Low	54.6	Low	92 Å²	92	125.8 Å²	125.8	35%	0.348	59%	0.59	S	S	.	*	H	α-helix	trans	-65.6	-45.6	177.2	-177.8	82.6	0	0	0	112.7	L338 Y339 I340 Y344 L345 Q346 L367	L338-W342 VanDerWaalsContact O-CB 3.27Å; L338-W342 WeakPolarHBondContact O-CB 3.25Å; L338-W342 PolarHBondContact O-N 2.93Å; Y339-W342 PolarHBondContact O-N 2.8Å; I340-W342 VanDerWaalsContact C-N 3.29Å; I340-W342 PolarHBondContact O-N 2.86Å; W342-Y344 VanDerWaalsContact C-N 3.34Å; W342-Y344 PolarHBondContact O-N 3.3Å; W342-L345 PolarHBondContact O-N 2.87Å; W342-Q346 HydrophobicContact CD2-CG 4.16Å; W342-Q346 HydrophobicContact CE3-CG 4.37Å; W342-Q346 HydrophobicContact CH2-CG 4.06Å; W342-Q346 HydrophobicContact CZ2-CG 3.82Å; W342-Q346 HydrophobicContact CZ3-CG 4.33Å; W342-Q346 WeakPolarHBondContact O-CG 3.47Å; W342-Q346 PolarHBondContact O-N 2.77Å; W342-L367 HydrophobicContact CD2-CD2 3.71Å; W342-L367 VanDerWaalsContact CE2-CD2 3.49Å; W342-L367 HydrophobicContact CE3-CD2 4.23Å; W342-L367 HydrophobicContact CG-CD2 4.07Å; W342-L367 HydrophobicContact CH2-CD2 4.36Å; W342-L367 HydrophobicContact CZ2-CD2 3.86Å
343	R	59.8	Low	54.3	Low	150 Å²	150	127.6 Å²	127.6	57%	0.566	59%	0.594	S	S	*	*	H	α-helix	trans	-64.4	-38	175.9	-87.5	-149.9	-178	-162.5	2.3	112.5	Y339 I340 Q346 R347	Y339-R343 HydrophobicContact CE1-CG 4.41Å; Y339-R343 PolarHBondContact O-N 2.85Å; Y339-R343 VanDerWaalsContact OH-CZ 3.29Å; Y339-R343 PolarHBondContact OH-NE 2.98Å; Y339-R343 PolarHBondContact OH-NH2 2.81Å; I340-R343 PolarHBondContact O-N 2.8Å; R343-Q346 PolarHBondContact O-N 2.87Å; R343-R347 WeakPolarHBondContact O-CB 2.99Å; R343-R347 PolarHBondContact O-N 2.9Å
344	Y	62.9	Low	54	Low	154 Å²	154	126 Å²	126	60%	0.604	60%	0.597	S	S	*	*	H	α-helix	trans	-63.4	-42.7	176	-167.9	-95.2	0	0	0	111.3	I340 Q341 W342 Q346 R347 N348	I340-Y344 WeakPolarHBondContact O-CB 3.41Å; I340-Y344 PolarHBondContact O-N 2.9Å; Q341-Y344 PolarHBondContact O-N 3.16Å; W342-Y344 VanDerWaalsContact C-N 3.34Å; W342-Y344 PolarHBondContact O-N 3.3Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-Q346 PolarHBondContact O-N 2.89Å; Y344-R347 PolarHBondContact O-N 2.74Å; Y344-N348 WeakPolarHBondContact CE1-ND2 3.3Å; Y344-N348 WeakPolarHBondContact O-CB 3.38Å; Y344-N348 PolarHBondContact O-N 2.81Å; Y344-N348 PolarHBondContact OH-ND2 3.03Å
345	L	59	Low	53.9	Low	87 Å²	87	128.3 Å²	128.3	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-68.9	-26.4	176.2	-72.8	168.6	0	0	0	114	Q341 W342 W359	Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 WeakPolarHBondContact O-CD1 3.46Å; Q341-L345 VanDerWaalsContact O-CG 3.23Å; Q341-L345 WeakPolarHBondContact O-CG 3.47Å; Q341-L345 PolarHBondContact O-N 2.82Å; W342-L345 PolarHBondContact O-N 2.87Å; L345-W359 HydrophobicContact CD1-CH2 4.36Å
346	Q	57.7	Low	53.8	Low	132 Å²	132	128.7 Å²	128.7	62%	0.617	61%	0.608	S	S	*	*	H	α-helix	trans	-76.8	-38	173.7	-78.4	-94.5	-50.8	0	0	112.2	W342 R343 Y344	W342-Q346 HydrophobicContact CD2-CG 4.16Å; W342-Q346 HydrophobicContact CE3-CG 4.37Å; W342-Q346 HydrophobicContact CH2-CG 4.06Å; W342-Q346 HydrophobicContact CZ2-CG 3.82Å; W342-Q346 HydrophobicContact CZ3-CG 4.33Å; W342-Q346 WeakPolarHBondContact O-CG 3.47Å; W342-Q346 PolarHBondContact O-N 2.77Å; R343-Q346 PolarHBondContact O-N 2.87Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-Q346 PolarHBondContact O-N 2.89Å
347	R	57.8	Low	53.7	Low	211 Å²	211	124.8 Å²	124.8	80%	0.796	60%	0.597	S	S	*	*	H	α-helix	trans	-79.9	-34.4	-175.8	-153.9	176.4	-167.5	177.7	2.6	112.5	R343 Y344 S349	R343-R347 WeakPolarHBondContact O-CB 2.99Å; R343-R347 PolarHBondContact O-N 2.9Å; Y344-R347 PolarHBondContact O-N 2.74Å; R347-S349 PolarHBondContact O-N 2.75Å
348	N	54.5	Low	53.4	Low	73 Å²	73	127.5 Å²	127.5	39%	0.39	61%	0.606	S	S	.	*	S	Bend	trans	-87.4	85.2	168.7	-71.4	-18.2	0	0	0	108.4	Y344 F350	Y344-N348 WeakPolarHBondContact CE1-ND2 3.3Å; Y344-N348 WeakPolarHBondContact O-CB 3.38Å; Y344-N348 PolarHBondContact O-N 2.81Å; Y344-N348 PolarHBondContact OH-ND2 3.03Å; N348-F350 PolarHBondContact O-N 2.82Å
349	S	50	Low	53.2	Low	92 Å²	92	129.7 Å²	129.7	64%	0.643	61%	0.608	S	S	*	*			trans	-51.4	78	172.7	43.9	0	0	0	0	112.5	R347 N351	R347-S349 PolarHBondContact O-N 2.75Å; S349-N351 PolarHBondContact O-N 2.85Å
350	F	46.9	Very low	52.6	Low	162 Å²	162	128.9 Å²	128.9	71%	0.711	61%	0.607	S	S	*	*			trans	-75.6	68.8	159.8	-99.1	-85.8	0	0	0	108	N348 R352 L353	N348-F350 PolarHBondContact O-N 2.82Å; F350-R352 PolarHBondContact O-N 2.78Å; F350-R352 VanDerWaalsContact O-N 3.14Å; F350-L353 HydrophobicContact CD1-CD1 3.91Å; F350-L353 HydrophobicContact CE1-CD1 4.19Å
351	N	44.6	Very low	52.1	Low	152 Å²	152	132 Å²	132	81%	0.813	62%	0.617	S	S	*	*			trans	-74.4	19.4	170.5	-91.5	-11.9	0	0	0	112.8	S349	S349-N351 PolarHBondContact O-N 2.85Å
352	R	43.1	Very low	51.6	Low	223 Å²	223	133 Å²	133	84%	0.842	62%	0.622	S	S	*	*			trans	-142.7	105.4	166.9	-68.1	-176.1	-156.3	-165	4.2	107	F350	F350-R352 PolarHBondContact O-N 2.78Å; F350-R352 VanDerWaalsContact O-N 3.14Å
353	L	40	Very low	51.1	Low	127 Å²	127	130.4 Å²	130.4	67%	0.665	62%	0.62	S	S	*	*			trans	176.9	95.7	153	-94.5	159.9	0	0	0	106.4	F350 N355	F350-L353 HydrophobicContact CD1-CD1 3.91Å; F350-L353 HydrophobicContact CE1-CD1 4.19Å; L353-N355 PolarHBondContact O-N 3.08Å
354	S	43.3	Very low	50.6	Low	127 Å²	127	130.1 Å²	130.1	89%	0.888	62%	0.622	S	S	*	*	S	Bend	trans	-65.3	22.2	175	40.4	0	0	0	0	114.3
355	N	46.5	Very low	50.1	Low	136 Å²	136	128.5 Å²	128.5	73%	0.727	62%	0.624	S	S	*	*			trans	-134	82.3	178.6	-100.3	-28	0	0	0	109.3	L353 P357	L353-N355 PolarHBondContact O-N 3.08Å; N355-P357 VanDerWaalsContact O-CD 3.24Å; N355-P357 WeakPolarHBondContact O-CD 3.48Å
356	I	51.1	Low	49.6	Very low	116 Å²	116	131.4 Å²	131.4	60%	0.595	63%	0.633	S	S	*	*			trans	-80.8	109.9	171.7	-65.2	179.4	0	0	0	107.6	K360	I356-K360 HydrophobicContact CG2-CB 3.4Å; I356-K360 HydrophobicContact CG2-CD 3.8Å; I356-K360 HydrophobicContact CG2-CG 4.2Å
357	P	55.3	Low	49.2	Very low	58 Å²	58	127 Å²	127	38%	0.377	61%	0.613	S	S	.	*			trans	-66.2	151.2	-178.8	-18.5	33.3	0	0	0	111.3	N355 W359 K360	N355-P357 VanDerWaalsContact O-CD 3.24Å; N355-P357 WeakPolarHBondContact O-CD 3.48Å; P357-W359 VanDerWaalsContact CB-CD1 3.49Å; P357-W359 HydrophobicContact CB-CG 4.41Å; P357-W359 PolarHBondContact O-N 3.41Å; P357-K360 WeakPolarHBondContact O-CB 3.29Å; P357-K360 PolarHBondContact O-N 3.43Å
358	K	51.3	Low	48.9	Very low	190 Å²	190	122.4 Å²	122.4	83%	0.826	60%	0.601	S	S	*	*	H	α-helix	trans	-47.8	-32.3	-176.7	-79.6	-178.6	176	176.6	0	114.2	K360 K361 Q362	K358-K360 VanDerWaalsContact C-N 3.33Å; K358-K360 PolarHBondContact O-N 3.12Å; K358-K361 PolarHBondContact O-N 3.37Å; K358-Q362 PolarHBondContact O-N 2.89Å
359	W	50	Low	48.3	Very low	137 Å²	137	122.6 Å²	122.6	52%	0.519	61%	0.607	S	S	.	*	H	α-helix	trans	-64.9	-30.2	177.3	70.8	-102	0	0	0	113.7	L345 P357 Q362 A363	L345-W359 HydrophobicContact CD1-CH2 4.36Å; P357-W359 VanDerWaalsContact CB-CD1 3.49Å; P357-W359 HydrophobicContact CB-CG 4.41Å; P357-W359 PolarHBondContact O-N 3.41Å; W359-Q362 PolarHBondContact O-N 2.77Å; W359-A363 WeakPolarHBondContact O-CB 3.26Å; W359-A363 PolarHBondContact O-N 2.93Å
360	K	48.9	Very low	48.2	Very low	79 Å²	79	122.2 Å²	122.2	34%	0.343	60%	0.597	S	S	.	*	H	α-helix	trans	-69	-33.6	174.6	-80.2	-174.3	179	178.9	0	112.1	I356 P357 K358 K364	I356-K360 HydrophobicContact CG2-CB 3.4Å; I356-K360 HydrophobicContact CG2-CD 3.8Å; I356-K360 HydrophobicContact CG2-CG 4.2Å; P357-K360 WeakPolarHBondContact O-CB 3.29Å; P357-K360 PolarHBondContact O-N 3.43Å; K358-K360 VanDerWaalsContact C-N 3.33Å; K358-K360 PolarHBondContact O-N 3.12Å; K360-K364 WeakPolarHBondContact O-CB 3.29Å; K360-K364 PolarHBondContact O-N 2.82Å
361	K	51.6	Low	48.2	Very low	162 Å²	162	119.7 Å²	119.7	70%	0.704	59%	0.59	S	S	*	*	H	α-helix	trans	-66.4	-42.5	170.5	-91.8	-176.2	176.9	179.7	0	111.1	K358 K364 L365	K358-K361 PolarHBondContact O-N 3.37Å; K361-K364 PolarHBondContact O-N 2.87Å; K361-L365 PolarHBondContact O-N 3.19Å
362	Q	49.1	Very low	48.2	Very low	134 Å²	134	117.6 Å²	117.6	63%	0.626	58%	0.576	S	S	*	*	H	α-helix	trans	-64.3	-39.5	175.6	-102.9	175.2	-15.2	0	0	112.9	K358 W359 L365 K366	K358-Q362 PolarHBondContact O-N 2.89Å; W359-Q362 PolarHBondContact O-N 2.77Å; Q362-L365 PolarHBondContact O-N 2.86Å; Q362-K366 WeakPolarHBondContact O-CB 3.35Å; Q362-K366 WeakPolarHBondContact O-CG 3.37Å; Q362-K366 PolarHBondContact O-N 2.88Å
363	A	49.7	Very low	48.3	Very low	37 Å²	37	112.3 Å²	112.3	31%	0.306	56%	0.564	S	S	.	*	H	α-helix	trans	-65.3	-41.9	175.2	0	0	0	0	0	111.6	W359 K366 L367	W359-A363 WeakPolarHBondContact O-CB 3.26Å; W359-A363 PolarHBondContact O-N 2.93Å; A363-K366 PolarHBondContact O-N 2.03Å; A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 3.31Å; A363-L367 PolarHBondContact O-N 3.14Å
364	K	50.3	Low	48.4	Very low	143 Å²	143	111.2 Å²	111.2	62%	0.622	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-41.6	175.6	-164.1	176.2	-177.9	-179.4	0	112	K360 K361 L367 Q368	K360-K364 WeakPolarHBondContact O-CB 3.29Å; K360-K364 PolarHBondContact O-N 2.82Å; K361-K364 PolarHBondContact O-N 2.87Å; K364-L367 PolarHBondContact O-N 3.39Å; K364-Q368 WeakPolarHBondContact O-CB 3.29Å; K364-Q368 PolarHBondContact O-N 2.94Å
365	L	50.9	Low	48.3	Very low	121 Å²	121	115.2 Å²	115.2	63%	0.634	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-45.9	175.3	-116.4	90	0	0	0	112.1	K361 Q362 L367 Q368 C369	K361-L365 PolarHBondContact O-N 3.19Å; Q362-L365 PolarHBondContact O-N 2.86Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 2.86Å; L365-Q368 PolarHBondContact O-N 2.9Å; L365-C369 WeakPolarHBondContact O-CB 3.24Å; L365-C369 PolarHBondContact O-N 2.92Å
366	K	48.6	Very low	47.9	Very low	147 Å²	147	117.7 Å²	117.7	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-62.5	-38.6	177.3	-80.7	-174.9	174.4	-175.1	0	111.6	Q362 A363 C369 L370	Q362-K366 WeakPolarHBondContact O-CB 3.35Å; Q362-K366 WeakPolarHBondContact O-CG 3.37Å; Q362-K366 PolarHBondContact O-N 2.88Å; A363-K366 PolarHBondContact O-N 2.03Å; K366-C369 WeakPolarHBondContact O-CB 3.33Å; K366-C369 PolarHBondContact O-N 3.09Å; K366-L370 WeakPolarHBondContact O-CG 3.42Å; K366-L370 PolarHBondContact O-N 3.47Å
367	L	50.8	Low	47.3	Very low	40 Å²	40	113.9 Å²	113.9	21%	0.209	54%	0.542	C	S	.	.	H	α-helix	trans	-70.7	-38.4	176.7	-157.8	75.5	0	0	0	112.4	W342 A363 K364 L365 C369 L370 L371	W342-L367 HydrophobicContact CD2-CD2 3.71Å; W342-L367 VanDerWaalsContact CE2-CD2 3.49Å; W342-L367 HydrophobicContact CE3-CD2 4.23Å; W342-L367 HydrophobicContact CG-CD2 4.07Å; W342-L367 HydrophobicContact CH2-CD2 4.36Å; W342-L367 HydrophobicContact CZ2-CD2 3.86Å; A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 3.31Å; A363-L367 PolarHBondContact O-N 3.14Å; K364-L367 PolarHBondContact O-N 3.39Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 2.86Å; L367-C369 VanDerWaalsContact C-N 3.31Å; L367-C369 PolarHBondContact O-N 2.9Å; L367-L370 PolarHBondContact O-N 3.23Å; L367-L371 WeakPolarHBondContact O-CG 3.5Å; L367-L371 PolarHBondContact O-N 2.62Å
368	Q	50.4	Low	46.2	Very low	115 Å²	115	119.5 Å²	119.5	54%	0.537	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-37.4	171.4	-96	177	-46.3	0	0	112.1	K364 L365 L371 Q372	K364-Q368 WeakPolarHBondContact O-CB 3.29Å; K364-Q368 PolarHBondContact O-N 2.94Å; L365-Q368 PolarHBondContact O-N 2.9Å; Q368-L371 PolarHBondContact O-N 3.46Å; Q368-Q372 WeakPolarHBondContact O-CB 3.26Å; Q368-Q372 VanDerWaalsContact O-CG 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.45Å; Q368-Q372 PolarHBondContact O-N 2.73Å
369	C	42.9	Very low	45.3	Very low	77 Å²	77	119 Å²	119	52%	0.52	56%	0.562	S	S	.	*	H	α-helix	trans	-65.6	-41	175.7	-150.3	0	0	0	0	111.4	L365 K366 L367 Q372 L373	L365-C369 WeakPolarHBondContact O-CB 3.24Å; L365-C369 PolarHBondContact O-N 2.92Å; K366-C369 WeakPolarHBondContact O-CB 3.33Å; K366-C369 PolarHBondContact O-N 3.09Å; L367-C369 VanDerWaalsContact C-N 3.31Å; L367-C369 PolarHBondContact O-N 2.9Å; C369-Q372 PolarHBondContact O-N 3.44Å; C369-L373 WeakPolarHBondContact O-CG 3.15Å; C369-L373 PolarHBondContact O-N 3.12Å
370	L	46.8	Very low	44.5	Very low	84 Å²	84	119.1 Å²	119.1	44%	0.44	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-39.3	174.3	-73	164.9	0	0	0	112.7	K366 L367 L373 N374	K366-L370 WeakPolarHBondContact O-CG 3.42Å; K366-L370 PolarHBondContact O-N 3.47Å; L367-L370 PolarHBondContact O-N 3.23Å; L370-L373 PolarHBondContact O-N 3.47Å; L370-N374 PolarHBondContact O-N 3.48Å; L370-N374 VanDerWaalsContact O-N 3.09Å
371	L	47.8	Very low	43.7	Very low	108 Å²	108	124.3 Å²	124.3	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-68.1	-33.7	174.7	-72.8	165.1	0	0	0	112.6	L367 Q368 N374 R375	L367-L371 WeakPolarHBondContact O-CG 3.5Å; L367-L371 PolarHBondContact O-N 2.62Å; Q368-L371 PolarHBondContact O-N 3.46Å; L371-N374 PolarHBondContact O-N 2.82Å; L371-R375 PolarHBondContact O-N 2.9Å
372	Q	44.7	Very low	42.8	Very low	109 Å²	109	123.2 Å²	123.2	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-70.4	-38.7	174.2	-76.8	-79.3	-30.6	0	0	112.1	Q368 C369 N374 R375 K376	Q368-Q372 WeakPolarHBondContact O-CB 3.26Å; Q368-Q372 VanDerWaalsContact O-CG 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.45Å; Q368-Q372 PolarHBondContact O-N 2.73Å; C369-Q372 PolarHBondContact O-N 3.44Å; Q372-N374 VanDerWaalsContact C-N 3.29Å; Q372-N374 PolarHBondContact O-N 3.17Å; Q372-R375 PolarHBondContact O-N 2.77Å; Q372-K376 PolarHBondContact O-N 3.32Å
373	L	43.9	Very low	41.9	Very low	111 Å²	111	121.1 Å²	121.1	58%	0.581	59%	0.587	S	S	*	*	H	α-helix	trans	-61.6	-39.8	172.9	-75.8	162.6	0	0	0	111.1	C369 L370 R375 K376 S377	C369-L373 WeakPolarHBondContact O-CG 3.15Å; C369-L373 PolarHBondContact O-N 3.12Å; L370-L373 PolarHBondContact O-N 3.47Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 2.82Å; L373-K376 PolarHBondContact O-N 3.22Å; L373-S377 WeakPolarHBondContact O-CB 3.28Å; L373-S377 PolarHBondContact O-OG 3.21Å
374	N	41.8	Very low	41.2	Very low	104 Å²	104	123.6 Å²	123.6	56%	0.556	61%	0.607	S	S	*	*	H	α-helix	trans	-68	-28	177.2	-145.9	17.9	0	0	0	113.2	L370 L371 Q372 S377	L370-N374 PolarHBondContact O-N 3.48Å; L370-N374 VanDerWaalsContact O-N 3.09Å; L371-N374 PolarHBondContact O-N 2.82Å; Q372-N374 VanDerWaalsContact C-N 3.29Å; Q372-N374 PolarHBondContact O-N 3.17Å; N374-S377 PolarHBondContact O-OG 2.95Å
375	R	41.7	Very low	40.5	Very low	212 Å²	212	120.9 Å²	120.9	80%	0.8	61%	0.607	S	S	*	*	H	α-helix	trans	-78.2	-22.2	176.1	-90.3	-171.9	178.8	-174	-0.5	114.3	L371 Q372 L373	L371-R375 PolarHBondContact O-N 2.9Å; Q372-R375 PolarHBondContact O-N 2.77Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 2.82Å
376	K	38.6	Very low	39.7	Very low	187 Å²	187	118.1 Å²	118.1	81%	0.813	60%	0.597	S	S	*	*	S	Bend	trans	-93.4	-2.8	179.3	-75.4	-169.3	174.5	-174.4	0	113.4	Q372 L373	Q372-K376 PolarHBondContact O-N 3.32Å; L373-K376 PolarHBondContact O-N 3.22Å
377	S	37.6	Very low	39	Very low	37 Å²	37	118.1 Å²	118.1	26%	0.259	59%	0.593	S	S	.	*			trans	-117.1	104.5	-172.3	74.3	0	0	0	0	107.8	L373 N374 W379	L373-S377 WeakPolarHBondContact O-CB 3.28Å; L373-S377 PolarHBondContact O-OG 3.21Å; N374-S377 PolarHBondContact O-OG 2.95Å; S377-W379 VanDerWaalsContact CB-CD1 3.4Å; S377-W379 PolarHBondContact O-N 3.33Å
378	N	32.4	Very low	38.3	Very low	176 Å²	176	121.3 Å²	121.3	94%	0.941	61%	0.61	S	S	*	*			trans	-66.8	38.9	175.8	-101.9	-3.9	0	0	0	113.1
379	W	33.2	Very low	37.8	Very low	179 Å²	179	123 Å²	123	68%	0.678	62%	0.623	S	S	*	*			trans	-92.1	112.2	178.2	-63.1	78.1	0	0	0	106.9	S377	S377-W379 VanDerWaalsContact CB-CD1 3.4Å; S377-W379 PolarHBondContact O-N 3.33Å
380	F	33.6	Very low	37.7	Very low	140 Å²	140	127.3 Å²	127.3	61%	0.614	63%	0.632	S	S	*	*			trans	136.9	66	162.6	-79	-70.3	0	0	0	112.3	H382 W387	F380-H382 VanDerWaalsContact C-N 3.27Å; F380-W387 AromaticContact CE1-CE2 3.92Å; F380-W387 AromaticContact CE1-CZ2 3.46Å; F380-W387 HydrophobicContact CE1-CZ2 3.46Å; F380-W387 VanDerWaalsContact CE1-CZ2 3.46Å; F380-W387 AromaticContact CE1-NE1 3.8Å; F380-W387 HydrophobicContact CZ-CH2 4.23Å; F380-W387 AromaticContact CZ-CZ2 3.46Å; F380-W387 HydrophobicContact CZ-CZ2 3.46Å; F380-W387 VanDerWaalsContact CZ-CZ2 3.46Å
381	Q	30.7	Very low	37.4	Very low	187 Å²	187	129.5 Å²	129.5	87%	0.874	64%	0.639	S	S	*	*			trans	-90.6	63.5	146.1	-77.6	-174.2	-24.6	0	0	108.8
382	H	33	Very low	37.1	Very low	140 Å²	140	128.7 Å²	128.7	65%	0.648	64%	0.64	S	S	*	*	S	Bend	trans	-144.8	131.3	161.3	-80.2	-62.9	0	0	0	109	F380	F380-H382 VanDerWaalsContact C-N 3.27Å
383	P	30.7	Very low	37.1	Very low	90 Å²	90	131.3 Å²	131.3	58%	0.584	65%	0.652	S	S	*	*			trans	-62.9	143.5	-179.1	25.2	-31.5	0	0	0	110.7	S385 S386	P383-S385 PolarHBondContact O-N 3.49Å; P383-S386 PolarHBondContact O-N 3.13Å
384	A	35.1	Very low	36.8	Very low	88 Å²	88	131.4 Å²	131.4	73%	0.727	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-58.2	-4.1	-176.8	0	0	0	0	0	115
385	S	34.9	Very low	36.5	Very low	87 Å²	87	135 Å²	135	61%	0.608	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-81.2	-9.3	178.2	52.2	0	0	0	0	114.9	P383	P383-S385 PolarHBondContact O-N 3.49Å
386	S	35.2	Very low	36.3	Very low	62 Å²	62	135.1 Å²	135.1	43%	0.434	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-88.4	-5.5	180	82.5	0	0	0	0	114.6	P383	P383-S386 PolarHBondContact O-N 3.13Å
387	W	34.1	Very low	36.2	Very low	147 Å²	147	133.1 Å²	133.1	56%	0.557	66%	0.656	S	S	*	*	S	Bend	trans	-85.4	-17.8	-177.1	-71.4	85.6	0	0	0	113.1	F380 L389	F380-W387 AromaticContact CE1-CE2 3.92Å; F380-W387 AromaticContact CE1-CZ2 3.46Å; F380-W387 HydrophobicContact CE1-CZ2 3.46Å; F380-W387 VanDerWaalsContact CE1-CZ2 3.46Å; F380-W387 AromaticContact CE1-NE1 3.8Å; F380-W387 HydrophobicContact CZ-CH2 4.23Å; F380-W387 AromaticContact CZ-CZ2 3.46Å; F380-W387 HydrophobicContact CZ-CZ2 3.46Å; F380-W387 VanDerWaalsContact CZ-CZ2 3.46Å; W387-L389 PolarHBondContact O-N 3.46Å
388	D	35.1	Very low	36	Very low	107 Å²	107	139.2 Å²	139.2	57%	0.572	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-14.3	178.9	-89.1	-57.8	0	0	0	114.3	R395	D388-R395 IonicContact OD1-NH2 3.28Å; D388-R395 PolarHBondContact OD1-NH2 3.33Å; D388-R395 VanDerWaalsContact OD1-NH2 3.13Å
389	L	40.7	Very low	36.2	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-15.2	-174.1	-81	155.2	0	0	0	114.6	W387	W387-L389 PolarHBondContact O-N 3.46Å
390	K	40	Very low	36.2	Very low	166 Å²	166	136.8 Å²	136.8	72%	0.722	67%	0.673	S	S	*	*	S	Bend	trans	-98	-12.4	-173.4	-88.3	-176.3	175	-179.7	0	115.5
391	F	41.5	Very low	36	Very low	130 Å²	130	134.1 Å²	134.1	57%	0.57	69%	0.685	S	S	*	*			trans	-144.4	69.7	-177.4	-64.7	-78.8	0	0	0	113.4	H393 L394	F391-H393 PolarHBondContact O-N 2.8Å; F391-H393 VanDerWaalsContact O-N 3.13Å; F391-L394 HydrophobicContact CB-CD1 3.63Å; F391-L394 HydrophobicContact CB-CG 4.09Å; F391-L394 HydrophobicContact CD1-CD1 4.49Å; F391-L394 HydrophobicContact CG-CD1 4.05Å; F391-L394 PolarHBondContact O-N 3.21Å
392	P	40.3	Very low	36.1	Very low	91 Å²	91	135.6 Å²	135.6	59%	0.591	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-65.5	-14.1	179	26.9	-34.5	0	0	0	113.9
393	H	45.1	Very low	36	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-83.3	-11.3	178.8	-61.6	-62.2	0	0	0	114.6	F391 R395	F391-H393 PolarHBondContact O-N 2.8Å; F391-H393 VanDerWaalsContact O-N 3.13Å; H393-R395 VanDerWaalsContact C-N 3.31Å
394	L	37.8	Very low	36	Very low	112 Å²	112	134.1 Å²	134.1	59%	0.586	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-82.7	-9.8	178.3	-70.3	173	0	0	0	113.2	F391 R396	F391-L394 HydrophobicContact CB-CD1 3.63Å; F391-L394 HydrophobicContact CB-CG 4.09Å; F391-L394 HydrophobicContact CD1-CD1 4.49Å; F391-L394 HydrophobicContact CG-CD1 4.05Å; F391-L394 PolarHBondContact O-N 3.21Å; L394-R396 VanDerWaalsContact C-N 3.28Å; L394-R396 PolarHBondContact O-N 2.73Å
395	R	35.3	Very low	35.9	Very low	180 Å²	180	135.2 Å²	135.2	68%	0.679	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-77.3	-10.3	-178.3	-145.9	176.7	-91.3	-167.4	-6	113.6	D388 H393	D388-R395 IonicContact OD1-NH2 3.28Å; D388-R395 PolarHBondContact OD1-NH2 3.33Å; D388-R395 VanDerWaalsContact OD1-NH2 3.13Å; H393-R395 VanDerWaalsContact C-N 3.31Å
396	R	37.9	Very low	35.7	Very low	214 Å²	214	139.6 Å²	139.6	81%	0.808	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-101.1	2.6	-175.3	-124.5	-175.3	-85.5	-168.6	-5.1	115.7	L394	L394-R396 VanDerWaalsContact C-N 3.28Å; L394-R396 PolarHBondContact O-N 2.73Å
397	L	36.3	Very low	35.5	Very low	145 Å²	145	143.9 Å²	143.9	76%	0.759	72%	0.721	S	S	*	*	S	Bend	trans	-107.8	3.2	-179.4	-78.6	162.6	0	0	0	113.9
398	H	33.8	Very low	35.2	Very low	165 Å²	165	143.8 Å²	143.8	76%	0.764	74%	0.74	S	S	*	*	S	Bend	trans	-97.1	-1.8	-178.7	-151.4	-79.4	0	0	0	113.7
399	E	35.3	Very low	34.9	Very low	175 Å²	175	141.9 Å²	141.9	82%	0.818	75%	0.746	S	S	*	*	S	Bend	trans	-118.2	-3	-175.1	-76.1	-178.4	160	0	0	115
400	I	33.4	Very low	34.5	Very low	130 Å²	130	142.2 Å²	142.2	67%	0.667	75%	0.748	S	S	*	*			trans	-115.7	87.4	-176.6	-51.1	178.1	0	0	0	109.2	R402	I400-R402 PolarHBondContact O-N 2.85Å
401	G	30.3	Very low	34	Very low	84 Å²	84	140.2 Å²	140.2	87%	0.866	76%	0.755	S	S	*	*			trans	-68.6	72.3	174.3	0	0	0	0	0	112.9
402	R	32.7	Very low	33.3	Very low	217 Å²	217	145.3 Å²	145.3	82%	0.819	77%	0.77	S	S	*	*			trans	-136.9	143.6	167.8	-74	-163	-179	-163.8	2.4	112.6	I400 A404	I400-R402 PolarHBondContact O-N 2.85Å; R402-A404 PolarHBondContact O-N 2.7Å
403	P	29.5	Very low	32.6	Very low	121 Å²	121	146.9 Å²	146.9	79%	0.786	78%	0.782	S	S	*	*			trans	-77.4	109.5	-169.8	31.1	-31.1	0	0	0	109.7	S405	P403-S405 PolarHBondContact O-N 3.28Å
404	A	32.4	Very low	31.8	Very low	79 Å²	79	147.5 Å²	147.5	65%	0.653	79%	0.79	S	S	*	*			trans	-94.8	80	178.1	0	0	0	0	0	110.7	R402 F406	R402-A404 PolarHBondContact O-N 2.7Å; A404-F406 PolarHBondContact O-N 3.43Å
405	S	32	Very low	31.4	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	82%	0.823	S	S	*	*			trans	-65.9	62.4	142.9	53	0	0	0	0	108.8	P403	P403-S405 PolarHBondContact O-N 3.28Å
406	F	30.4	Very low	31.3	Very low	179 Å²	179	152.6 Å²	152.6	79%	0.785	83%	0.831	S	S	*	*			trans	-166	95.3	-178.5	-102.4	-85.8	0	0	0	104.7	A404	A404-F406 PolarHBondContact O-N 3.43Å
407	L	31.2	Very low	30.9	Very low	153 Å²	153	149.4 Å²	149.4	80%	0.801	83%	0.832	S	S	*	*			trans	166.9	43.1	159	-87.6	163.9	0	0	0	109.4
408	C	28.7	Very low	30.6	Very low	144 Å²	144	149.6 Å²	149.6	97%	0.973	84%	0.836	S	S	*	*			trans	-91	94.6	161.3	-156.5	0	0	0	0	105.3
409	G	29.4	Very low	30.4	Very low	67 Å²	67	148.7 Å²	148.7	69%	0.691	84%	0.84	S	S	*	*			trans	-178.7	-7.7	-175.9	0	0	0	0	0	119.1
410	L	30.4	Very low	30.1	Very low	160 Å²	160	147.1 Å²	147.1	84%	0.838	84%	0.842	S	S	*	*			trans	-126.1	17	-172.2	-75.4	164.2	0	0	0	115.1	R412	L410-R412 PolarHBondContact O-N 3.42Å
411	S	30.3	Very low	29.9	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	85%	0.853	S	S	*	*			trans	-95.9	56.4	170.1	175.5	0	0	0	0	111.2
412	R	26	Very low	29.9	Very low	237 Å²	237	152.8 Å²	152.8	89%	0.894	85%	0.852	S	S	*	*			trans	-150.3	83	165.8	-91.8	-169.7	177.7	-165.3	-1	108.3	L410	L410-R412 PolarHBondContact O-N 3.42Å
413	C	26.6	Very low	29.6	Very low	123 Å²	123	147.8 Å²	147.8	83%	0.831	86%	0.855	S	S	*	*			trans	-164.8	129.3	154.5	-97.8	0	0	0	0	107.6
414	L	27.7	Very low	29.7	Very low	179 Å²	179	150.1 Å²	150.1	94%	0.937	86%	0.861	S	S	*	*			trans	90.9	76.9	170.6	-54.5	158.1	0	0	0	116.4
415	L	31	Very low	29.4	Very low	246 Å²	246	156.5 Å²	156.5	100%	1.288	88%	0.879	S	S	*	*			trans	-90.2	0	137.4	-111.3	166.1	0	0	0	107.8

Retrieved 415 of 415 residues in 464.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).