Q9TQA6_RAT Loading...

Class II MHC RT1.D(N) beta chain

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession Q9TQA6, Species RAT (Rattus norvegicus, Rat), Gene RT1-Db1, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	49.3	Very low	226 Å²	226	135.8 Å²	135.8	100%	1.113	73%	0.729	S	S	*	*				0	82.1	0	-74.8	171.7	-178.3	0	0	107.1
2	V	35.1	Very low	51.1	Low	135 Å²	135	128.4 Å²	128.4	82%	0.818	70%	0.701	S	S	*	*				50.1	83.5	105.7	-171	0	0	0	0	110.7
3	W	32.9	Very low	52.5	Low	241 Å²	241	124.9 Å²	124.9	91%	0.913	69%	0.686	S	S	*	*			trans	-85.7	110.8	165	-103.6	69.8	0	0	0	108.2
4	L	44.5	Very low	53.6	Low	161 Å²	161	122.9 Å²	122.9	84%	0.843	67%	0.672	S	S	*	*			trans	-83.3	107.9	168.1	-80.8	156.1	0	0	0	108.6
5	A	42.7	Very low	54.4	Low	83 Å²	83	122.1 Å²	122.1	69%	0.686	67%	0.666	S	S	*	*			trans	-163.3	67.3	163.6	0	0	0	0	0	111.8
6	R	47.7	Very low	55.1	Low	221 Å²	221	121 Å²	121	83%	0.834	66%	0.659	S	S	*	*	S	Bend	trans	179.7	113.8	164.4	-107.1	-178.2	126.8	172.3	-0.3	103.6
7	D	53.3	Low	55.6	Low	88 Å²	88	120 Å²	120	47%	0.471	65%	0.652	S	S	.	*			cis	-159.4	97.2	33.4	-74	-60.9	0	0	0	108.1	C9 V10 A11	D7-C9 PolarHBondContact O-N 2.99Å; D7-V10 HydrophobicContact CB-CB 3.64Å; D7-V10 HydrophobicContact CB-CG2 3.42Å; D7-V10 VanDerWaalsContact CB-CG2 3.42Å; D7-V10 PolarHBondContact O-N 2.98Å; D7-A11 PolarHBondContact O-N 3.03Å
8	S	58.3	Low	56.1	Low	109 Å²	109	118.3 Å²	118.3	76%	0.762	65%	0.646	S	S	*	*	H	α-helix	trans	-59.3	-33.8	178.1	-174.7	0	0	0	0	112.1	V10 A11 A12	S8-V10 PolarHBondContact O-N 2.85Å; S8-A11 PolarHBondContact O-N 2.81Å; S8-A12 PolarHBondContact O-N 2.83Å; S8-A12 VanDerWaalsContact O-N 3.08Å
9	C	60	Low	56.6	Low	101 Å²	101	118.4 Å²	118.4	68%	0.682	65%	0.65	S	S	*	*	H	α-helix	trans	-65.4	-35.4	174.1	-74.1	0	0	0	0	113.1	D7 A12 V13	D7-C9 PolarHBondContact O-N 2.99Å; C9-A12 PolarHBondContact O-N 3.02Å; C9-V13 WeakPolarHBondContact O-CB 3.13Å; C9-V13 WeakPolarHBondContact O-CG2 3.43Å; C9-V13 PolarHBondContact O-N 3.38Å
10	V	66.6	Low	56.8	Low	75 Å²	75	118.8 Å²	118.8	46%	0.455	65%	0.651	S	S	.	*	H	α-helix	trans	-71.8	-39.5	-179.3	174.8	0	0	0	0	110.1	D7 S8 V13 I14	D7-V10 HydrophobicContact CB-CB 3.64Å; D7-V10 HydrophobicContact CB-CG2 3.42Å; D7-V10 VanDerWaalsContact CB-CG2 3.42Å; D7-V10 PolarHBondContact O-N 2.98Å; S8-V10 PolarHBondContact O-N 2.85Å; V10-V13 PolarHBondContact O-N 3.45Å; V10-I14 HydrophobicContact CG1-CD1 3.72Å; V10-I14 HydrophobicContact CG1-CG1 4.34Å; V10-I14 WeakPolarHBondContact O-CB 3.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.07Å; V10-I14 PolarHBondContact O-N 3.35Å
11	A	67	Low	57	Low	54 Å²	54	116.5 Å²	116.5	45%	0.446	64%	0.643	S	S	.	*	H	α-helix	trans	-63	-43.7	174.3	0	0	0	0	0	112	D7 S8 I14 L15	D7-A11 PolarHBondContact O-N 3.03Å; S8-A11 PolarHBondContact O-N 2.81Å; A11-I14 PolarHBondContact O-N 3.36Å; A11-L15 WeakPolarHBondContact O-CB 3.44Å; A11-L15 PolarHBondContact O-N 2.87Å
12	A	71.3	Confident	58.1	Low	47 Å²	47	110.6 Å²	110.6	39%	0.388	62%	0.622	S	S	.	*	H	α-helix	trans	-64.6	-41.3	176.5	0	0	0	0	0	112.4	S8 C9 L15 L16	S8-A12 PolarHBondContact O-N 2.83Å; S8-A12 VanDerWaalsContact O-N 3.08Å; C9-A12 PolarHBondContact O-N 3.02Å; A12-L15 PolarHBondContact O-N 3.32Å; A12-L16 WeakPolarHBondContact O-CB 3.46Å; A12-L16 PolarHBondContact O-N 3.38Å
13	V	69.8	Low	59.3	Low	83 Å²	83	110.5 Å²	110.5	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-67.1	-41.4	177.1	168.8	0	0	0	0	111.5	C9 V10 L16 L17	C9-V13 WeakPolarHBondContact O-CB 3.13Å; C9-V13 WeakPolarHBondContact O-CG2 3.43Å; C9-V13 PolarHBondContact O-N 3.38Å; V10-V13 PolarHBondContact O-N 3.45Å; V13-L16 PolarHBondContact O-N 3.12Å; V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CB 3.47Å; V13-L17 VanDerWaalsContact O-CG 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.9Å
14	I	67.9	Low	60.6	Low	96 Å²	96	103.6 Å²	103.6	49%	0.492	61%	0.609	S	S	.	*	H	α-helix	trans	-63.1	-44.9	175.2	-69.6	168.7	0	0	0	110.2	V10 A11 L17 T18	V10-I14 HydrophobicContact CG1-CD1 3.72Å; V10-I14 HydrophobicContact CG1-CG1 4.34Å; V10-I14 WeakPolarHBondContact O-CB 3.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.07Å; V10-I14 PolarHBondContact O-N 3.35Å; A11-I14 PolarHBondContact O-N 3.36Å; I14-L17 PolarHBondContact O-N 2.68Å; I14-T18 WeakPolarHBondContact O-CG2 3.03Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 3.16Å
15	L	65.6	Low	61.4	Low	112 Å²	112	100.2 Å²	100.2	59%	0.586	60%	0.604	S	S	*	*	H	α-helix	trans	-60.4	-46.9	175.6	-86.3	158.8	0	0	0	111.6	A11 A12 L17 T18 V19	A11-L15 WeakPolarHBondContact O-CB 3.44Å; A11-L15 PolarHBondContact O-N 2.87Å; A12-L15 PolarHBondContact O-N 3.32Å; L15-L17 PolarHBondContact O-N 3.13Å; L15-T18 WeakPolarHBondContact CA-OG1 2.93Å; L15-T18 PolarHBondContact O-N 2.79Å; L15-T18 PolarHBondContact O-OG1 2.63Å; L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.28Å
16	L	65.8	Low	62.2	Low	104 Å²	104	103.9 Å²	103.9	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-60.5	-42.4	175.6	-104	129.5	0	0	0	112.6	A12 V13 V19 L20	A12-L16 WeakPolarHBondContact O-CB 3.46Å; A12-L16 PolarHBondContact O-N 3.38Å; V13-L16 PolarHBondContact O-N 3.12Å; L16-V19 PolarHBondContact O-N 3.25Å; L16-L20 HydrophobicContact CD2-CD1 3.94Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.18Å
17	L	63	Low	62.8	Low	104 Å²	104	98.7 Å²	98.7	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-65.3	-38.8	177	-74	169.5	0	0	0	111.5	V13 I14 L15 S21	V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CB 3.47Å; V13-L17 VanDerWaalsContact O-CG 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 2.68Å; L15-L17 PolarHBondContact O-N 3.13Å; L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.42Å; L17-S21 PolarHBondContact O-N 2.94Å; L17-S21 PolarHBondContact O-OG 2.85Å
18	T	65.1	Low	63.4	Low	89 Å²	89	105.6 Å²	105.6	55%	0.546	62%	0.623	S	S	.	*	H	α-helix	trans	-70	-30.3	175.4	56.9	0	0	0	0	113.3	I14 L15	I14-T18 WeakPolarHBondContact O-CG2 3.03Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 3.16Å; L15-T18 WeakPolarHBondContact CA-OG1 2.93Å; L15-T18 PolarHBondContact O-N 2.79Å; L15-T18 PolarHBondContact O-OG1 2.63Å
19	V	65.1	Low	64.3	Low	120 Å²	120	104.3 Å²	104.3	73%	0.727	61%	0.607	S	S	*	*	H	α-helix	trans	-78.6	-34.1	176.9	171.9	0	0	0	0	111.8	L15 L16	L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.28Å; L16-V19 PolarHBondContact O-N 3.25Å
20	L	61.1	Low	65.3	Low	127 Å²	127	105 Å²	105	67%	0.665	61%	0.611	S	S	*	*	H	α-helix	trans	-86.1	-13.1	178.6	-72.8	166.6	0	0	0	113.6	L16 P22	L16-L20 HydrophobicContact CD2-CD1 3.94Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.18Å; L20-P22 WeakPolarHBondContact O-CD 3.29Å
21	S	59.9	Low	66.5	Low	70 Å²	70	105.5 Å²	105.5	49%	0.49	61%	0.614	S	S	.	*	S	Bend	trans	-83.1	106.9	173.5	-61.1	0	0	0	0	108.7	L17	L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.42Å; L17-S21 PolarHBondContact O-N 2.94Å; L17-S21 PolarHBondContact O-OG 2.85Å
22	P	58.6	Low	67.7	Low	102 Å²	102	107.6 Å²	107.6	66%	0.662	62%	0.623	S	S	*	*			trans	-57.5	132.1	171.9	23.2	-31.2	0	0	0	108.7	L20 V24	L20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-V24 PolarHBondContact O-N 2.84Å
23	P	59.8	Low	68.7	Low	133 Å²	133	114.4 Å²	114.4	86%	0.864	64%	0.639	S	S	*	*	S	Bend	trans	-74	20.8	-175.9	31.8	-36	0	0	0	112.8
24	V	59.7	Low	70	Confident	97 Å²	97	117.2 Å²	117.2	59%	0.588	65%	0.645	S	S	*	*			trans	-113.1	98.3	-174.8	-173	0	0	0	0	106.1	P22 L26	P22-V24 PolarHBondContact O-N 2.84Å; V24-L26 VanDerWaalsContact C-N 3.28Å; V24-L26 PolarHBondContact O-N 2.8Å
25	A	61.6	Low	71.4	Confident	90 Å²	90	117.1 Å²	117.1	74%	0.744	64%	0.644	S	S	*	*			trans	-49.7	107.9	150.2	0	0	0	0	0	105.5	V27	A25-V27 VanDerWaalsContact C-N 3.31Å; A25-V27 PolarHBondContact O-N 2.76Å
26	L	59.3	Low	72.9	Confident	160 Å²	160	116.1 Å²	116.1	84%	0.838	64%	0.637	S	S	*	*			trans	-58.7	99.7	-176	-149.7	131.6	0	0	0	106.3	V24 R28	V24-L26 VanDerWaalsContact C-N 3.28Å; V24-L26 PolarHBondContact O-N 2.8Å; L26-R28 PolarHBondContact O-N 2.86Å
27	V	60.1	Low	74.4	Confident	111 Å²	111	114.1 Å²	114.1	67%	0.673	63%	0.625	S	S	*	*			trans	-55	114.8	175.6	172.1	0	0	0	0	104.7	A25 D29	A25-V27 VanDerWaalsContact C-N 3.31Å; A25-V27 PolarHBondContact O-N 2.76Å; V27-D29 PolarHBondContact O-N 2.97Å
28	R	65.1	Low	76.1	Confident	234 Å²	234	114.7 Å²	114.7	88%	0.883	62%	0.62	S	S	*	*			trans	-47.8	118.9	172.1	-76.5	178	174	-177.3	-2.3	106.6	L26	L26-R28 PolarHBondContact O-N 2.86Å
29	D	77.9	Confident	77.6	Confident	81 Å²	81	114.5 Å²	114.5	43%	0.433	61%	0.612	S	S	.	*			trans	15.3	101.4	164.6	174.1	23.1	0	0	0	114.8	V27 T31 R33	V27-D29 PolarHBondContact O-N 2.97Å; D29-T31 PolarHBondContact O-N 3.35Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.01Å; D29-T31 VanDerWaalsContact OD1-N 3.16Å; D29-T31 PolarHBondContact OD1-OG1 3.21Å; D29-R33 IonicContact OD2-NH2 3.64Å; D29-R33 PolarHBondContact OD2-NH2 3.3Å; D29-R33 VanDerWaalsContact OD2-NH2 3.11Å
30	P	80.9	Confident	79.2	Confident	116 Å²	116	111.5 Å²	111.5	75%	0.753	60%	0.596	S	S	*	*			trans	-73.8	3.9	-174.7	33	-37.3	0	0	0	113.5	P32	P30-P32 WeakPolarHBondContact O-CD 3.43Å
31	T	92	Very high	81	Confident	85 Å²	85	107.2 Å²	107.2	52%	0.521	57%	0.573	S	S	.	*			trans	-56.9	123.3	179.4	-57	0	0	0	0	110	D29 R33	D29-T31 PolarHBondContact O-N 3.35Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.01Å; D29-T31 VanDerWaalsContact OD1-N 3.16Å; D29-T31 PolarHBondContact OD1-OG1 3.21Å; T31-R33 PolarHBondContact O-N 3.42Å
32	P	91.9	Very high	82.8	Confident	98 Å²	98	105.7 Å²	105.7	64%	0.636	56%	0.562	S	S	*	*			trans	-57.3	134	174.9	-24.2	33.8	0	0	0	110.9	P30 F34	P30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-F34 HydrophobicContact CB-CE2 3.88Å; P32-F34 HydrophobicContact CB-CZ 3.98Å
33	R	93.2	Very high	84.7	Confident	190 Å²	190	105.3 Å²	105.3	72%	0.717	55%	0.548	S	S	*	.			trans	-115.6	135.6	177.4	-60.5	-169.9	-176.2	-168.6	-2.3	109.9	D29 T31	D29-R33 IonicContact OD2-NH2 3.64Å; D29-R33 PolarHBondContact OD2-NH2 3.3Å; D29-R33 VanDerWaalsContact OD2-NH2 3.11Å; T31-R33 PolarHBondContact O-N 3.42Å
34	F	95.9	Very high	86.5	Confident	143 Å²	143	102.3 Å²	102.3	63%	0.627	52%	0.521	S	S	*	.			trans	-125.4	139	175.6	-52.6	-78.9	0	0	0	107.5	P32 Y59 N60	P32-F34 HydrophobicContact CB-CE2 3.88Å; P32-F34 HydrophobicContact CB-CZ 3.98Å; F34-Y59 HydrophobicContact CB-CE2 4.47Å; F34-Y59 HydrophobicContact CD1-CE1 4.46Å; F34-Y59 AromaticContact CD1-CZ 3.93Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.49Å; F34-N60 WeakPolarHBondContact CA-OD1 3.5Å
35	L	97.4	Very high	88.3	Confident	93 Å²	93	102.9 Å²	102.9	49%	0.487	51%	0.514	S	S	.	.			trans	-134.4	113.6	-177.4	175.8	66.3	0	0	0	109.2	Q37 N60	L35-Q37 HydrophobicContact CD1-CG 4.26Å; L35-Q37 HydrophobicContact CD2-CG 3.96Å; L35-Q37 HydrophobicContact CG-CG 3.81Å; L35-N60 PolarHBondContact N-OD1 3.22Å; L35-N60 WeakPolarHBondContact O-CA 3.28Å; L35-N60 PolarHBondContact O-N 3.36Å
36	E	97.4	Very high	89.9	Confident	92 Å²	92	105 Å²	105	43%	0.43	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.4	167.3	-176.2	65.5	-174.6	0	0	109	Y59 Y64	E36-Y59 WeakPolarHBondContact OE2-CD2 3.44Å; E36-Y64 VanDerWaalsContact OE1-CE1 3.31Å; E36-Y64 WeakPolarHBondContact OE1-CE1 3.33Å; E36-Y64 PolarHBondContact OE1-OH 2.83Å
37	Q	98.3	Very high	91.5	Very high	62 Å²	62	98.9 Å²	98.9	29%	0.29	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.9	176.1	-56.4	171.9	73.8	0	0	110.1	L35 I58 N60	L35-Q37 HydrophobicContact CD1-CG 4.26Å; L35-Q37 HydrophobicContact CD2-CG 3.96Å; L35-Q37 HydrophobicContact CG-CG 3.81Å; Q37-I58 HydrophobicContact CB-CB 4.18Å; Q37-I58 PolarHBondContact N-O 2.91Å; Q37-I58 PolarHBondContact O-N 3.34Å; Q37-N60 PolarHBondContact NE2-O 3.02Å
38	Y	97	Very high	93.2	Very high	116 Å²	116	95.8 Å²	95.8	46%	0.455	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	172.4	171.4	-92	0	0	0	108.5	V55 R56 Y57	Y38-V55 HydrophobicContact CD2-CG1 4.15Å; Y38-V55 HydrophobicContact CE2-CG1 3.2Å; Y38-V55 WeakPolarHBondContact OH-CG1 3.37Å; Y38-R56 WeakPolarHBondContact CA-O 3.48Å; Y38-Y57 HydrophobicContact CD2-CD1 4.11Å; Y38-Y57 AromaticContact CD2-CE1 3.65Å; Y38-Y57 HydrophobicContact CD2-CE1 3.65Å; Y38-Y57 HydrophobicContact CD2-CE2 4.08Å; Y38-Y57 AromaticContact CD2-CZ 3.63Å; Y38-Y57 HydrophobicContact CE2-CE1 4.16Å; Y38-Y57 AromaticContact CE2-CE2 3.99Å; Y38-Y57 HydrophobicContact CE2-CE2 3.99Å; Y38-Y57 AromaticContact CE2-CZ 3.66Å
39	K	98.3	Very high	94.7	Very high	85 Å²	85	91.8 Å²	91.8	37%	0.37	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.3	175.3	-61.2	-173.7	178.1	-175.7	0	110.3	E41 V55 R56 I58	K39-E41 HydrophobicContact CB-CG 4.06Å; K39-E41 VanDerWaalsContact CD-OE1 3.32Å; K39-E41 WeakPolarHBondContact CD-OE1 3.39Å; K39-V55 CarbonylContact O-C 3.57Å; K39-V55 WeakPolarHBondContact O-CA 3.36Å; K39-R56 HydrophobicContact CB-CB 4.36Å; K39-R56 PolarHBondContact N-O 3.48Å; K39-R56 PolarHBondContact O-N 2.87Å; K39-I58 HydrophobicContact CD-CD1 3.97Å; K39-I58 HydrophobicContact CG-CD1 4.26Å
40	S	97.6	Very high	95.6	Very high	56 Å²	56	94.7 Å²	94.7	39%	0.392	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	104.8	168.3	-176.6	0	0	0	0	107.5
41	E	98.5	Very high	96.4	Very high	37 Å²	37	89.6 Å²	89.6	17%	0.173	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.4	-171	-60.3	172.1	178.1	0	0	109	K39 Y43 L53 L54 R56	K39-E41 HydrophobicContact CB-CG 4.06Å; K39-E41 VanDerWaalsContact CD-OE1 3.32Å; K39-E41 WeakPolarHBondContact CD-OE1 3.39Å; E41-Y43 HydrophobicContact CB-CD2 4.49Å; E41-Y43 HydrophobicContact CB-CE2 3.76Å; E41-Y43 PolarHBondContact OE2-OH 2.92Å; E41-Y43 VanDerWaalsContact OE2-OH 3.09Å; E41-L53 WeakPolarHBondContact O-CA 3.41Å; E41-L54 HydrophobicContact CB-CB 4.32Å; E41-L54 PolarHBondContact N-O 2.98Å; E41-L54 PolarHBondContact O-N 3.46Å; E41-R56 WeakPolarHBondContact OE1-CD 3.45Å; E41-R56 IonicContact OE1-NH1 2.6Å; E41-R56 PolarHBondContact OE1-NH1 2.96Å; E41-R56 VanDerWaalsContact OE2-CD 3.3Å; E41-R56 WeakPolarHBondContact OE2-CD 3.27Å; E41-R56 IonicContact OE2-NH1 3.93Å
42	C	98.4	Very high	96.7	Very high	39 Å²	39	88.9 Å²	88.9	26%	0.264	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.2	176.3	-61.4	0	0	0	0	109.7	F44 C106	C42-F44 HydrophobicContact CB-CD2 4.44Å; C42-F44 HydrophobicContact CB-CE1 4.45Å; C42-F44 HydrophobicContact CB-CE2 3.52Å; C42-F44 HydrophobicContact CB-CZ 3.53Å; C42-F44 WeakPolarHBondContact O-CD2 3.37Å; C42-F44 WeakPolarHBondContact O-CE2 3.38Å; C42-C106 HydrophobicContact CB-CB 3.57Å; C42-C106 WeakPolarHBondContact CB-SG 3.42Å; C42-C106 WeakPolarHBondContact SG-CA 3.43Å; C42-C106 WeakPolarHBondContact SG-CB 3.36Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.14Å
43	Y	98.3	Very high	97.1	Very high	93 Å²	93	84.2 Å²	84.2	37%	0.365	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.3	176.4	-64.5	-92.3	0	0	0	109.7	E41 V51 R52 L54	E41-Y43 HydrophobicContact CB-CD2 4.49Å; E41-Y43 HydrophobicContact CB-CE2 3.76Å; E41-Y43 PolarHBondContact OE2-OH 2.92Å; E41-Y43 VanDerWaalsContact OE2-OH 3.09Å; Y43-V51 WeakPolarHBondContact O-CA 3.29Å; Y43-R52 PolarHBondContact N-O 2.92Å; Y43-R52 PolarHBondContact O-N 3.34Å; Y43-L54 HydrophobicContact CD2-CG 4.42Å; Y43-L54 HydrophobicContact CE2-CB 4.44Å; Y43-L54 HydrophobicContact CE2-CD1 3.77Å; Y43-L54 HydrophobicContact CE2-CG 4.02Å
44	F	97.9	Very high	97.3	Very high	71 Å²	71	75.7 Å²	75.7	31%	0.311	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.5	-175.8	-60.2	-81.8	0	0	0	110.1	C42 G47 T48 V51 C106 Y110	C42-F44 HydrophobicContact CB-CD2 4.44Å; C42-F44 HydrophobicContact CB-CE1 4.45Å; C42-F44 HydrophobicContact CB-CE2 3.52Å; C42-F44 HydrophobicContact CB-CZ 3.53Å; C42-F44 WeakPolarHBondContact O-CD2 3.37Å; C42-F44 WeakPolarHBondContact O-CE2 3.38Å; F44-G47 WeakPolarHBondContact CB-O 3.01Å; F44-T48 HydrophobicContact CD1-CG2 4.36Å; F44-V51 HydrophobicContact CD1-CG1 4.12Å; F44-V51 HydrophobicContact CD1-CG2 3.82Å; F44-V51 HydrophobicContact CE1-CG1 3.94Å; F44-V51 HydrophobicContact CE1-CG2 4.13Å; F44-C106 HydrophobicContact CE1-CB 4.1Å; F44-C106 WeakPolarHBondContact CE1-O 3.33Å; F44-C106 HydrophobicContact CZ-CB 4.01Å; F44-C106 WeakPolarHBondContact CZ-O 3.48Å; F44-Y110 HydrophobicContact CB-CD2 4.29Å; F44-Y110 HydrophobicContact CB-CE2 4.09Å; F44-Y110 AromaticContact CD1-CD2 3.43Å; F44-Y110 HydrophobicContact CD1-CD2 3.43Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.43Å; F44-Y110 HydrophobicContact CD1-CE2 4.04Å; F44-Y110 HydrophobicContact CD1-CG 4.03Å; F44-Y110 AromaticContact CD2-CD2 3.84Å; F44-Y110 HydrophobicContact CD2-CD2 3.84Å; F44-Y110 HydrophobicContact CD2-CE2 4.28Å; F44-Y110 AromaticContact CE1-CD2 3.59Å; F44-Y110 HydrophobicContact CE1-CD2 3.59Å; F44-Y110 AromaticContact CE1-CG 3.89Å; F44-Y110 HydrophobicContact CE1-CG 3.89Å; F44-Y110 AromaticContact CE2-CD2 3.96Å; F44-Y110 HydrophobicContact CE2-CD2 3.96Å; F44-Y110 AromaticContact CG-CD2 3.58Å; F44-Y110 HydrophobicContact CG-CD2 3.58Å; F44-Y110 AromaticContact CG-CE2 3.88Å; F44-Y110 HydrophobicContact CG-CE2 3.88Å; F44-Y110 AromaticContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CG 4.3Å
45	Y	97	Very high	97.4	Very high	109 Å²	109	68.9 Å²	68.9	43%	0.427	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.1	178.7	-55.4	-86.9	0	0	0	110	G47 R50	Y45-G47 PolarHBondContact N-O 2.84Å; Y45-R50 HydrophobicContact CD2-CB 4.43Å; Y45-R50 HydrophobicContact CD2-CG 4.15Å; Y45-R50 PolarHBondContact N-O 2.83Å; Y45-R50 PolarHBondContact O-N 2.9Å
46	N	95.3	Very high	97.5	Very high	133 Å²	133	67.2 Å²	67.2	71%	0.711	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	65.2	-175	-166.2	27	0	0	0	111.7	T48 Q49	N46-T48 PolarHBondContact O-N 2.98Å; N46-Q49 HydrophobicContact CB-CB 4.34Å; N46-Q49 PolarHBondContact ND2-OE1 3.42Å; N46-Q49 WeakPolarHBondContact O-CB 3.37Å; N46-Q49 PolarHBondContact O-N 3.39Å
47	G	92.6	Very high	97.5	Very high	32 Å²	32	64.3 Å²	64.3	33%	0.33	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-125.3	-167.3	0	0	0	0	0	110	F44 Y45	F44-G47 WeakPolarHBondContact CB-O 3.01Å; Y45-G47 PolarHBondContact N-O 2.84Å
48	T	96.8	Very high	97.5	Very high	46 Å²	46	61.9 Å²	61.9	28%	0.282	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.8	175.7	62.9	0	0	0	0	113	F44 N46 R50 V51 R107 Y110	F44-T48 HydrophobicContact CD1-CG2 4.36Å; N46-T48 PolarHBondContact O-N 2.98Å; T48-R50 VanDerWaalsContact C-N 3.31Å; T48-R50 PolarHBondContact O-N 2.94Å; T48-V51 WeakPolarHBondContact O-CG2 3.05Å; T48-R107 VanDerWaalsContact O-CZ 3.31Å; T48-R107 PolarHBondContact O-NH1 2.81Å; T48-R107 PolarHBondContact O-NH2 2.96Å; T48-Y110 HydrophobicContact CG2-CD1 3.27Å; T48-Y110 HydrophobicContact CG2-CD2 4.25Å; T48-Y110 HydrophobicContact CG2-CE1 3.69Å; T48-Y110 HydrophobicContact CG2-CG 3.58Å
49	Q	95.6	Very high	97.6	Very high	150 Å²	150	60.3 Å²	60.3	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-46.6	-173.9	-172.1	-178.6	8.5	0	0	112.8	N46	N46-Q49 HydrophobicContact CB-CB 4.34Å; N46-Q49 PolarHBondContact ND2-OE1 3.42Å; N46-Q49 WeakPolarHBondContact O-CB 3.37Å; N46-Q49 PolarHBondContact O-N 3.39Å
50	R	97.4	Very high	97.5	Very high	142 Å²	142	59 Å²	59	54%	0.536	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	167.9	176.8	179.9	-178.7	158.8	0.4	109.1	Y45 T48 D70	Y45-R50 HydrophobicContact CD2-CB 4.43Å; Y45-R50 HydrophobicContact CD2-CG 4.15Å; Y45-R50 PolarHBondContact N-O 2.83Å; Y45-R50 PolarHBondContact O-N 2.9Å; T48-R50 VanDerWaalsContact C-N 3.31Å; T48-R50 PolarHBondContact O-N 2.94Å; R50-D70 IonicContact CZ-OD2 2.65Å; R50-D70 IonicContact NH2-OD2 2.69Å; R50-D70 PolarHBondContact NH2-OD2 2.79Å
51	V	98.4	Very high	97.5	Very high	10 Å²	10	67.9 Å²	67.9	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	176.9	-176	0	0	0	0	108.2	Y43 F44 T48 V102 C106 R107	Y43-V51 WeakPolarHBondContact O-CA 3.29Å; F44-V51 HydrophobicContact CD1-CG1 4.12Å; F44-V51 HydrophobicContact CD1-CG2 3.82Å; F44-V51 HydrophobicContact CE1-CG1 3.94Å; F44-V51 HydrophobicContact CE1-CG2 4.13Å; T48-V51 WeakPolarHBondContact O-CG2 3.05Å; V51-V102 HydrophobicContact CB-CG1 3.86Å; V51-V102 HydrophobicContact CG1-CG1 3.97Å; V51-C106 HydrophobicContact CG1-CB 3.54Å; V51-R107 HydrophobicContact CG2-CG 4.1Å
52	R	98.4	Very high	97.5	Very high	69 Å²	69	70.6 Å²	70.6	26%	0.26	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.6	173.5	-178.8	-177.8	178.8	-163	4.7	109.2	Y43 L54 D68 S69 D70	Y43-R52 PolarHBondContact N-O 2.92Å; Y43-R52 PolarHBondContact O-N 3.34Å; R52-L54 HydrophobicContact CG-CD2 4.44Å; R52-D68 IonicContact CZ-OD1 3.65Å; R52-D68 IonicContact CZ-OD2 3.16Å; R52-D68 IonicContact NE-OD1 3.67Å; R52-D68 PolarHBondContact NE-OD1 2.88Å; R52-D68 IonicContact NE-OD2 3.92Å; R52-D68 PolarHBondContact NE-OD2 2.03Å; R52-D68 IonicContact NH2-OD1 2.63Å; R52-D68 IonicContact NH2-OD2 3.65Å; R52-D68 PolarHBondContact NH2-OD2 3.18Å; R52-S69 WeakPolarHBondContact CA-OG 3.38Å; R52-D70 IonicContact NE-OD2 2.95Å
53	L	98.6	Very high	97.5	Very high	0 Å²	0	70 Å²	70	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129	173.8	171.1	67.6	0	0	0	109.3	E41 V55 S69 A101 V102	E41-L53 WeakPolarHBondContact O-CA 3.41Å; L53-V55 HydrophobicContact CD1-CG2 3.99Å; L53-V55 HydrophobicContact CD2-CG2 4.15Å; L53-V55 HydrophobicContact CG-CG2 4.04Å; L53-S69 PolarHBondContact N-OG 3.15Å; L53-S69 PolarHBondContact O-N 3.25Å; L53-A101 HydrophobicContact CD2-CB 3.41Å; L53-A101 VanDerWaalsContact CD2-CB 3.41Å; L53-V102 HydrophobicContact CB-CG2 3.9Å
54	L	98.4	Very high	97.5	Very high	12 Å²	12	66.3 Å²	66.3	6%	0.063	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124	165.5	-61.2	-174.1	0	0	0	109.6	E41 Y43 R52 R56 F67 D68	E41-L54 HydrophobicContact CB-CB 4.32Å; E41-L54 PolarHBondContact N-O 2.98Å; E41-L54 PolarHBondContact O-N 3.46Å; Y43-L54 HydrophobicContact CD2-CG 4.42Å; Y43-L54 HydrophobicContact CE2-CB 4.44Å; Y43-L54 HydrophobicContact CE2-CD1 3.77Å; Y43-L54 HydrophobicContact CE2-CG 4.02Å; R52-L54 HydrophobicContact CG-CD2 4.44Å; L54-R56 HydrophobicContact CB-CG 4.3Å; L54-F67 WeakPolarHBondContact CA-O 3.46Å; L54-D68 HydrophobicContact CD2-CB 3.63Å; L54-D68 WeakPolarHBondContact CD2-OD1 3.48Å
55	V	98.3	Very high	97.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.3	170.8	176.5	0	0	0	0	108.6	Y38 K39 L53 Y57 R66 F67 E98	Y38-V55 HydrophobicContact CD2-CG1 4.15Å; Y38-V55 HydrophobicContact CE2-CG1 3.2Å; Y38-V55 WeakPolarHBondContact OH-CG1 3.37Å; K39-V55 CarbonylContact O-C 3.57Å; K39-V55 WeakPolarHBondContact O-CA 3.36Å; L53-V55 HydrophobicContact CD1-CG2 3.99Å; L53-V55 HydrophobicContact CD2-CG2 4.15Å; L53-V55 HydrophobicContact CG-CG2 4.04Å; V55-Y57 HydrophobicContact CG1-CD2 4.5Å; V55-Y57 HydrophobicContact CG1-CE2 3.88Å; V55-R66 CarbonylContact O-C 3.59Å; V55-R66 WeakPolarHBondContact O-CA 3.13Å; V55-R66 WeakPolarHBondContact O-CG 3.49Å; V55-F67 HydrophobicContact CB-CB 4.19Å; V55-F67 PolarHBondContact N-O 2.78Å; V55-F67 PolarHBondContact O-N 2.83Å; V55-E98 WeakPolarHBondContact CG2-OE2 3.39Å
56	R	98.5	Very high	97.6	Very high	57 Å²	57	61.3 Å²	61.3	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.7	-168.3	-53.9	174.5	67.1	-161.7	2.6	110.3	Y38 K39 E41 L54 I58 E63 R66	Y38-R56 WeakPolarHBondContact CA-O 3.48Å; K39-R56 HydrophobicContact CB-CB 4.36Å; K39-R56 PolarHBondContact N-O 3.48Å; K39-R56 PolarHBondContact O-N 2.87Å; E41-R56 WeakPolarHBondContact OE1-CD 3.45Å; E41-R56 IonicContact OE1-NH1 2.6Å; E41-R56 PolarHBondContact OE1-NH1 2.96Å; E41-R56 VanDerWaalsContact OE2-CD 3.3Å; E41-R56 WeakPolarHBondContact OE2-CD 3.27Å; E41-R56 IonicContact OE2-NH1 3.93Å; L54-R56 HydrophobicContact CB-CG 4.3Å; R56-I58 HydrophobicContact CB-CD1 4.41Å; R56-I58 HydrophobicContact CB-CG1 4.46Å; R56-E63 HydrophobicContact CB-CG 4.46Å; R56-E63 WeakPolarHBondContact CG-OE1 3.48Å; R56-E63 IonicContact CZ-OE1 3.83Å; R56-E63 IonicContact CZ-OE2 3.68Å; R56-E63 IonicContact NE-OE1 2.91Å; R56-E63 PolarHBondContact NE-OE1 3.2Å; R56-E63 IonicContact NE-OE2 3.07Å; R56-E63 PolarHBondContact NE-OE2 3.1Å; R56-E63 IonicContact NH2-OE1 3.11Å; R56-E63 IonicContact NH2-OE2 2.72Å; R56-E63 PolarHBondContact NH2-OE2 2.9Å; R56-R66 HydrophobicContact CG-CG 4.09Å
57	Y	98.3	Very high	97.7	Very high	32 Å²	32	55 Å²	55	13%	0.125	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127	172.3	-69.1	-96.3	0	0	0	109.6	Y38 V55 E63 Y64 T65 F74 Y88 Y94	Y38-Y57 HydrophobicContact CD2-CD1 4.11Å; Y38-Y57 AromaticContact CD2-CE1 3.65Å; Y38-Y57 HydrophobicContact CD2-CE1 3.65Å; Y38-Y57 HydrophobicContact CD2-CE2 4.08Å; Y38-Y57 AromaticContact CD2-CZ 3.63Å; Y38-Y57 HydrophobicContact CE2-CE1 4.16Å; Y38-Y57 AromaticContact CE2-CE2 3.99Å; Y38-Y57 HydrophobicContact CE2-CE2 3.99Å; Y38-Y57 AromaticContact CE2-CZ 3.66Å; V55-Y57 HydrophobicContact CG1-CD2 4.5Å; V55-Y57 HydrophobicContact CG1-CE2 3.88Å; Y57-E63 CarbonylContact O-C 3.56Å; Y57-E63 WeakPolarHBondContact O-CA 3.43Å; Y57-Y64 VanDerWaalsContact CB-CZ 3.42Å; Y57-Y64 WeakPolarHBondContact CB-OH 3.34Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.28Å; Y57-Y64 PolarHBondContact O-N 3.14Å; Y57-T65 HydrophobicContact CD2-CG2 3.85Å; Y57-T65 HydrophobicContact CG-CG2 4.06Å; Y57-T65 PolarHBondContact N-O 3.48Å; Y57-F74 HydrophobicContact CD2-CE1 4.13Å; Y57-F74 AromaticContact CE2-CE1 3.68Å; Y57-F74 HydrophobicContact CE2-CE1 3.68Å; Y57-F74 HydrophobicContact CE2-CZ 4.24Å; Y57-Y88 HydrophobicContact CE2-CE2 4.39Å; Y57-Y94 PolarHBondContact OH-OH 3.34Å
58	I	98.6	Very high	98	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.5	-168.2	-56.1	161.7	0	0	0	109.3	Q37 K39 R56 E62 E63	Q37-I58 HydrophobicContact CB-CB 4.18Å; Q37-I58 PolarHBondContact N-O 2.91Å; Q37-I58 PolarHBondContact O-N 3.34Å; K39-I58 HydrophobicContact CD-CD1 3.97Å; K39-I58 HydrophobicContact CG-CD1 4.26Å; R56-I58 HydrophobicContact CB-CD1 4.41Å; R56-I58 HydrophobicContact CB-CG1 4.46Å; I58-E62 CarbonylContact C-O 3.53Å; I58-E62 WeakPolarHBondContact CA-O 3.24Å; I58-E63 HydrophobicContact CG1-CB 4Å; I58-E63 HydrophobicContact CG1-CG 4.3Å
59	Y	98.1	Very high	98.1	Very high	83 Å²	83	53.3 Å²	53.3	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.4	172.5	-170.9	-103.5	0	0	0	109.4	F34 E36 R61 E62 L80	F34-Y59 HydrophobicContact CB-CE2 4.47Å; F34-Y59 HydrophobicContact CD1-CE1 4.46Å; F34-Y59 AromaticContact CD1-CZ 3.93Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.49Å; E36-Y59 WeakPolarHBondContact OE2-CD2 3.44Å; Y59-R61 PolarHBondContact O-N 3.14Å; Y59-E62 PolarHBondContact N-O 3.35Å; Y59-E62 PolarHBondContact O-N 3.43Å; Y59-L80 HydrophobicContact CD1-CD2 4.42Å; Y59-L80 HydrophobicContact CG-CD2 4.41Å
60	N	96.8	Very high	98.2	Very high	59 Å²	59	50 Å²	50	32%	0.316	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-88	-166.9	-61.7	-45.5	0	0	0	112.7	F34 L35 Q37	F34-N60 WeakPolarHBondContact CA-OD1 3.5Å; L35-N60 PolarHBondContact N-OD1 3.22Å; L35-N60 WeakPolarHBondContact O-CA 3.28Å; L35-N60 PolarHBondContact O-N 3.36Å; Q37-N60 PolarHBondContact NE2-O 3.02Å
61	R	96.9	Very high	98.2	Very high	242 Å²	242	47 Å²	47	91%	0.913	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.3	2.9	176.8	-64.2	-176.8	177.1	-176.6	-1.7	112.2	Y59	Y59-R61 PolarHBondContact O-N 3.14Å
62	E	98.1	Very high	98.2	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.439	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108	-178.5	-171.6	-179.7	162.1	0	0	109	I58 Y59 Y64 T78	I58-E62 CarbonylContact C-O 3.53Å; I58-E62 WeakPolarHBondContact CA-O 3.24Å; Y59-E62 PolarHBondContact N-O 3.35Å; Y59-E62 PolarHBondContact O-N 3.43Å; E62-Y64 PolarHBondContact O-N 3.29Å; E62-T78 HydrophobicContact CG-CG2 3.77Å; E62-T78 WeakPolarHBondContact OE1-CB 3.39Å; E62-T78 VanDerWaalsContact OE1-CG2 3.24Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.44Å; E62-T78 PolarHBondContact OE1-OG1 3.33Å
63	E	98.5	Very high	98.2	Very high	25 Å²	25	46.8 Å²	46.8	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	116.4	167.2	-179.3	-177.2	-171.1	0	0	108.3	R56 Y57 I58 R66 V77 T78	R56-E63 HydrophobicContact CB-CG 4.46Å; R56-E63 WeakPolarHBondContact CG-OE1 3.48Å; R56-E63 IonicContact CZ-OE1 3.83Å; R56-E63 IonicContact CZ-OE2 3.68Å; R56-E63 IonicContact NE-OE1 2.91Å; R56-E63 PolarHBondContact NE-OE1 3.2Å; R56-E63 IonicContact NE-OE2 3.07Å; R56-E63 PolarHBondContact NE-OE2 3.1Å; R56-E63 IonicContact NH2-OE1 3.11Å; R56-E63 IonicContact NH2-OE2 2.72Å; R56-E63 PolarHBondContact NH2-OE2 2.9Å; Y57-E63 CarbonylContact O-C 3.56Å; Y57-E63 WeakPolarHBondContact O-CA 3.43Å; I58-E63 HydrophobicContact CG1-CB 4Å; I58-E63 HydrophobicContact CG1-CG 4.3Å; E63-R66 WeakPolarHBondContact OE1-CB 3.42Å; E63-R66 VanDerWaalsContact OE1-CD 3.28Å; E63-R66 WeakPolarHBondContact OE1-CD 3.43Å; E63-R66 IonicContact OE1-CZ 3.25Å; E63-R66 IonicContact OE1-NE 3.92Å; E63-R66 IonicContact OE1-NH1 3.86Å; E63-R66 PolarHBondContact OE1-NH1 2.86Å; E63-R66 IonicContact OE2-NH1 2.81Å; E63-R66 PolarHBondContact OE2-NH1 2.78Å; E63-V77 HydrophobicContact CB-CG1 4.39Å; E63-V77 HydrophobicContact CG-CB 4.28Å; E63-V77 HydrophobicContact CG-CG1 4.31Å; E63-V77 HydrophobicContact CG-CG2 4.01Å; E63-V77 VanDerWaalsContact O-CB 3.31Å; E63-V77 WeakPolarHBondContact O-CB 3.37Å; E63-V77 VanDerWaalsContact O-CG1 3.29Å; E63-V77 WeakPolarHBondContact O-CG1 3.44Å; E63-T78 WeakPolarHBondContact O-CG2 3.46Å
64	Y	98.4	Very high	98.1	Very high	16 Å²	16	46.8 Å²	46.8	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-31.7	-173.1	63.6	-96.4	0	0	0	113.1	E36 Y57 E62 V77 T78 L80 G81 D84	E36-Y64 VanDerWaalsContact OE1-CE1 3.31Å; E36-Y64 WeakPolarHBondContact OE1-CE1 3.33Å; E36-Y64 PolarHBondContact OE1-OH 2.83Å; Y57-Y64 VanDerWaalsContact CB-CZ 3.42Å; Y57-Y64 WeakPolarHBondContact CB-OH 3.34Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.28Å; Y57-Y64 PolarHBondContact O-N 3.14Å; E62-Y64 PolarHBondContact O-N 3.29Å; Y64-V77 PolarHBondContact O-N 3.42Å; Y64-T78 PolarHBondContact O-N 3.47Å; Y64-L80 HydrophobicContact CD1-CD2 4.26Å; Y64-L80 HydrophobicContact CG-CD2 4.2Å; Y64-L80 HydrophobicContact CG-CG 4.36Å; Y64-G81 WeakPolarHBondContact O-CA 3.39Å; Y64-D84 HydrophobicContact CE2-CB 4.38Å; Y64-D84 VanDerWaalsContact CE2-OD2 3.31Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.26Å
65	T	98.5	Very high	98.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.4	171.5	-170.8	0	0	0	0	111.3	Y57 F74 R75 D84 T85 Y88	Y57-T65 HydrophobicContact CD2-CG2 3.85Å; Y57-T65 HydrophobicContact CG-CG2 4.06Å; Y57-T65 PolarHBondContact N-O 3.48Å; T65-F74 HydrophobicContact CG2-CD1 4.45Å; T65-R75 WeakPolarHBondContact CA-O 3.31Å; T65-R75 PolarHBondContact OG1-O 2.99Å; T65-D84 HydrophobicContact CG2-CB 4.49Å; T65-T85 WeakPolarHBondContact CB-OG1 3.43Å; T65-T85 PolarHBondContact OG1-OG1 3.28Å; T65-Y88 HydrophobicContact CG2-CE2 4.16Å
66	R	98.6	Very high	98.1	Very high	76 Å²	76	55.3 Å²	55.3	29%	0.287	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.7	179.8	174	173.9	64.4	-136.6	5.6	111.8	V55 R56 E63 F74 R75 V77	V55-R66 CarbonylContact O-C 3.59Å; V55-R66 WeakPolarHBondContact O-CA 3.13Å; V55-R66 WeakPolarHBondContact O-CG 3.49Å; R56-R66 HydrophobicContact CG-CG 4.09Å; E63-R66 WeakPolarHBondContact OE1-CB 3.42Å; E63-R66 VanDerWaalsContact OE1-CD 3.28Å; E63-R66 WeakPolarHBondContact OE1-CD 3.43Å; E63-R66 IonicContact OE1-CZ 3.25Å; E63-R66 IonicContact OE1-NE 3.92Å; E63-R66 IonicContact OE1-NH1 3.86Å; E63-R66 PolarHBondContact OE1-NH1 2.86Å; E63-R66 IonicContact OE2-NH1 2.81Å; E63-R66 PolarHBondContact OE2-NH1 2.78Å; R66-F74 CarbonylContact O-C 3.55Å; R66-F74 VanDerWaalsContact O-CA 3.31Å; R66-F74 WeakPolarHBondContact O-CA 3.4Å; R66-R75 PolarHBondContact N-O 3.03Å; R66-R75 PolarHBondContact O-N 2.9Å; R66-V77 HydrophobicContact CB-CG2 4.02Å
67	F	98.6	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.4	159	176.2	-85.3	0	0	0	109.8	L54 V55 G72 F74 E98 R99	L54-F67 WeakPolarHBondContact CA-O 3.46Å; V55-F67 HydrophobicContact CB-CB 4.19Å; V55-F67 PolarHBondContact N-O 2.78Å; V55-F67 PolarHBondContact O-N 2.83Å; F67-G72 VanDerWaalsContact CE2-C 3.45Å; F67-F74 HydrophobicContact CB-CD1 3.73Å; F67-F74 HydrophobicContact CB-CD2 4Å; F67-F74 HydrophobicContact CB-CE1 3.49Å; F67-F74 VanDerWaalsContact CB-CE1 3.49Å; F67-F74 HydrophobicContact CB-CE2 3.82Å; F67-F74 HydrophobicContact CB-CG 3.97Å; F67-F74 HydrophobicContact CB-CZ 3.55Å; F67-F74 AromaticContact CD2-CD2 4Å; F67-F74 HydrophobicContact CD2-CD2 4Å; F67-F74 AromaticContact CD2-CE2 3.96Å; F67-F74 HydrophobicContact CD2-CE2 3.96Å; F67-F74 HydrophobicContact CG-CD2 4.49Å; F67-F74 HydrophobicContact CG-CE2 4.26Å; F67-F74 HydrophobicContact CG-CZ 4.35Å; F67-E98 HydrophobicContact CD1-CB 4Å; F67-E98 HydrophobicContact CD2-CB 3.88Å; F67-E98 HydrophobicContact CE1-CB 3.85Å; F67-E98 WeakPolarHBondContact CE1-O 3.42Å; F67-E98 HydrophobicContact CE2-CB 3.71Å; F67-E98 HydrophobicContact CG-CB 4.03Å; F67-E98 HydrophobicContact CZ-CB 3.71Å; F67-R99 HydrophobicContact CE2-CG 4.2Å; F67-R99 HydrophobicContact CZ-CB 4.48Å; F67-R99 HydrophobicContact CZ-CG 3.84Å
68	D	98.6	Very high	98.1	Very high	15 Å²	15	56 Å²	56	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.4	177.2	-175.5	-12.9	0	0	0	108.5	R52 L54 D70 V71 G72	R52-D68 IonicContact CZ-OD1 3.65Å; R52-D68 IonicContact CZ-OD2 3.16Å; R52-D68 IonicContact NE-OD1 3.67Å; R52-D68 PolarHBondContact NE-OD1 2.88Å; R52-D68 IonicContact NE-OD2 3.92Å; R52-D68 PolarHBondContact NE-OD2 2.03Å; R52-D68 IonicContact NH2-OD1 2.63Å; R52-D68 IonicContact NH2-OD2 3.65Å; R52-D68 PolarHBondContact NH2-OD2 3.18Å; L54-D68 HydrophobicContact CD2-CB 3.63Å; L54-D68 WeakPolarHBondContact CD2-OD1 3.48Å; D68-D70 PolarHBondContact O-N 2.8Å; D68-D70 PolarHBondContact OD1-N 3Å; D68-D70 VanDerWaalsContact OD1-N 3.11Å; D68-V71 HydrophobicContact CB-CB 4.27Å; D68-V71 HydrophobicContact CB-CG2 3.99Å; D68-V71 CarbonylContact O-C 3.49Å; D68-V71 WeakPolarHBondContact O-CA 3.44Å; D68-V71 PolarHBondContact O-N 2.91Å; D68-G72 PolarHBondContact O-N 3.26Å
69	S	98.3	Very high	98.1	Very high	28 Å²	28	61.3 Å²	61.3	20%	0.196	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.9	-177.7	62.1	0	0	0	0	113.5	R52 L53 V71 V102	R52-S69 WeakPolarHBondContact CA-OG 3.38Å; L53-S69 PolarHBondContact N-OG 3.15Å; L53-S69 PolarHBondContact O-N 3.25Å; S69-V71 PolarHBondContact O-N 3.02Å; S69-V102 VanDerWaalsContact CB-CG2 3.43Å
70	D	97.9	Very high	98	Very high	81 Å²	81	61.7 Å²	61.7	43%	0.433	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.8	177	-74.3	5.2	0	0	0	111.4	R50 R52 D68	R50-D70 IonicContact CZ-OD2 2.65Å; R50-D70 IonicContact NH2-OD2 2.69Å; R50-D70 PolarHBondContact NH2-OD2 2.79Å; R52-D70 IonicContact NE-OD2 2.95Å; D68-D70 PolarHBondContact O-N 2.8Å; D68-D70 PolarHBondContact OD1-N 3Å; D68-D70 VanDerWaalsContact OD1-N 3.11Å
71	V	98	Very high	98.1	Very high	79 Å²	79	58.9 Å²	58.9	48%	0.479	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-36.9	176.2	-174.3	0	0	0	0	111.4	D68 S69 E73	D68-V71 HydrophobicContact CB-CB 4.27Å; D68-V71 HydrophobicContact CB-CG2 3.99Å; D68-V71 CarbonylContact O-C 3.49Å; D68-V71 WeakPolarHBondContact O-CA 3.44Å; D68-V71 PolarHBondContact O-N 2.91Å; S69-V71 PolarHBondContact O-N 3.02Å; V71-E73 HydrophobicContact CG1-CG 3.97Å
72	G	97.5	Very high	98.1	Very high	12 Å²	12	53.8 Å²	53.8	12%	0.124	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	14.2	176.6	0	0	0	0	0	115.4	F67 D68 R99	F67-G72 VanDerWaalsContact CE2-C 3.45Å; D68-G72 PolarHBondContact O-N 3.26Å; G72-R99 VanDerWaalsContact O-CZ 3.27Å; G72-R99 PolarHBondContact O-NE 3.43Å; G72-R99 PolarHBondContact O-NH2 2.92Å
73	E	98	Very high	98.1	Very high	61 Å²	61	59.3 Å²	59.3	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	168.4	177.1	60.1	177.4	-164.1	0	0	111.3	V71 R75	V71-E73 HydrophobicContact CG1-CG 3.97Å; E73-R75 IonicContact OE1-CZ 2.98Å; E73-R75 IonicContact OE1-NE 2.96Å; E73-R75 PolarHBondContact OE1-NE 3.29Å; E73-R75 IonicContact OE1-NH2 3.65Å; E73-R75 PolarHBondContact OE1-NH2 2.83Å
74	F	98.4	Very high	98	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.8	171.2	-73.7	-94.2	0	0	0	111.2	Y57 T65 R66 F67 T85 Y88 N89 Y94 I95 E98	Y57-F74 HydrophobicContact CD2-CE1 4.13Å; Y57-F74 AromaticContact CE2-CE1 3.68Å; Y57-F74 HydrophobicContact CE2-CE1 3.68Å; Y57-F74 HydrophobicContact CE2-CZ 4.24Å; T65-F74 HydrophobicContact CG2-CD1 4.45Å; R66-F74 CarbonylContact O-C 3.55Å; R66-F74 VanDerWaalsContact O-CA 3.31Å; R66-F74 WeakPolarHBondContact O-CA 3.4Å; F67-F74 HydrophobicContact CB-CD1 3.73Å; F67-F74 HydrophobicContact CB-CD2 4Å; F67-F74 HydrophobicContact CB-CE1 3.49Å; F67-F74 VanDerWaalsContact CB-CE1 3.49Å; F67-F74 HydrophobicContact CB-CE2 3.82Å; F67-F74 HydrophobicContact CB-CG 3.97Å; F67-F74 HydrophobicContact CB-CZ 3.55Å; F67-F74 AromaticContact CD2-CD2 4Å; F67-F74 HydrophobicContact CD2-CD2 4Å; F67-F74 AromaticContact CD2-CE2 3.96Å; F67-F74 HydrophobicContact CD2-CE2 3.96Å; F67-F74 HydrophobicContact CG-CD2 4.49Å; F67-F74 HydrophobicContact CG-CE2 4.26Å; F67-F74 HydrophobicContact CG-CZ 4.35Å; F74-T85 HydrophobicContact CB-CG2 3.95Å; F74-T85 VanDerWaalsContact O-CG2 3.27Å; F74-T85 WeakPolarHBondContact O-CG2 3.29Å; F74-Y88 HydrophobicContact CD1-CD2 4.04Å; F74-Y88 HydrophobicContact CD2-CD2 4.44Å; F74-Y88 HydrophobicContact CD2-CG 4.44Å; F74-Y88 HydrophobicContact CE1-CD2 4.15Å; F74-Y88 HydrophobicContact CE2-CG 4.45Å; F74-Y88 HydrophobicContact CG-CD2 4.2Å; F74-Y88 HydrophobicContact CZ-CD2 4.4Å; F74-N89 WeakPolarHBondContact CB-OD1 3.46Å; F74-N89 PolarHBondContact N-OD1 3.2Å; F74-N89 PolarHBondContact O-ND2 2.91Å; F74-Y94 HydrophobicContact CD2-CE1 4.49Å; F74-Y94 HydrophobicContact CE2-CD1 4.12Å; F74-Y94 AromaticContact CE2-CE1 3.44Å; F74-Y94 HydrophobicContact CE2-CE1 3.44Å; F74-Y94 VanDerWaalsContact CE2-CE1 3.44Å; F74-Y94 AromaticContact CZ-CE1 3.61Å; F74-Y94 HydrophobicContact CZ-CE1 3.61Å; F74-Y94 AromaticContact CZ-CZ 3.97Å; F74-I95 HydrophobicContact CD2-CD1 3.48Å; F74-I95 VanDerWaalsContact CD2-CD1 3.48Å; F74-I95 HydrophobicContact CE2-CD1 3.83Å; F74-E98 HydrophobicContact CE2-CG 4.04Å; F74-E98 HydrophobicContact CZ-CG 4.15Å
75	R	98.4	Very high	98	Very high	149 Å²	149	60.6 Å²	60.6	56%	0.562	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	133.2	169.3	-68.5	-64	-177.3	125	-5.6	109.8	T65 R66 E73 V77	T65-R75 WeakPolarHBondContact CA-O 3.31Å; T65-R75 PolarHBondContact OG1-O 2.99Å; R66-R75 PolarHBondContact N-O 3.03Å; R66-R75 PolarHBondContact O-N 2.9Å; E73-R75 IonicContact OE1-CZ 2.98Å; E73-R75 IonicContact OE1-NE 2.96Å; E73-R75 PolarHBondContact OE1-NE 3.29Å; E73-R75 IonicContact OE1-NH2 3.65Å; E73-R75 PolarHBondContact OE1-NH2 2.83Å; R75-V77 PolarHBondContact O-N 2.91Å
76	A	98.1	Very high	97.9	Very high	42 Å²	42	65.8 Å²	65.8	35%	0.347	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.9	170.2	0	0	0	0	0	108.5	R82 T85	A76-R82 HydrophobicContact CB-CG 4.22Å; A76-T85 WeakPolarHBondContact CA-OG1 3.46Å; A76-T85 PolarHBondContact N-OG1 2.9Å; A76-T85 VanDerWaalsContact N-OG1 3.15Å
77	V	98.3	Very high	97.9	Very high	65 Å²	65	68.6 Å²	68.6	39%	0.394	33%	0.329	S	S	.	.	S	Bend	trans	-88.9	-34.1	175.2	178.1	0	0	0	0	109.5	E63 Y64 R66 R75	E63-V77 HydrophobicContact CB-CG1 4.39Å; E63-V77 HydrophobicContact CG-CB 4.28Å; E63-V77 HydrophobicContact CG-CG1 4.31Å; E63-V77 HydrophobicContact CG-CG2 4.01Å; E63-V77 VanDerWaalsContact O-CB 3.31Å; E63-V77 WeakPolarHBondContact O-CB 3.37Å; E63-V77 VanDerWaalsContact O-CG1 3.29Å; E63-V77 WeakPolarHBondContact O-CG1 3.44Å; Y64-V77 PolarHBondContact O-N 3.42Å; R66-V77 HydrophobicContact CB-CG2 4.02Å; R75-V77 PolarHBondContact O-N 2.91Å
78	T	98.2	Very high	97.8	Very high	39 Å²	39	70.5 Å²	70.5	24%	0.239	34%	0.336	C	S	.	.	S	Bend	trans	-133.8	174.5	172.5	73.1	0	0	0	0	111.5	E62 E63 Y64 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.77Å; E62-T78 WeakPolarHBondContact OE1-CB 3.39Å; E62-T78 VanDerWaalsContact OE1-CG2 3.24Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.44Å; E62-T78 PolarHBondContact OE1-OG1 3.33Å; E63-T78 WeakPolarHBondContact O-CG2 3.46Å; Y64-T78 PolarHBondContact O-N 3.47Å; T78-L80 PolarHBondContact O-N 2.88Å; T78-G81 PolarHBondContact O-N 3.49Å
79	E	97.4	Very high	97.8	Very high	122 Å²	122	72.2 Å²	72.2	57%	0.57	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.2	-40.1	-178.7	-171.8	58.3	-157.5	0	0	113.1	G81 R82	E79-G81 PolarHBondContact O-N 2.89Å; E79-G81 VanDerWaalsContact O-N 3.15Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 VanDerWaalsContact O-N 3.17Å; E79-R82 WeakPolarHBondContact OE1-CD 3.24Å; E79-R82 IonicContact OE1-CZ 3.68Å; E79-R82 IonicContact OE1-NE 2.7Å; E79-R82 PolarHBondContact OE1-NE 3.11Å; E79-R82 IonicContact OE1-NH1 3.89Å; E79-R82 IonicContact OE1-NH2 2.93Å; E79-R82 PolarHBondContact OE1-NH2 2.98Å; E79-R82 IonicContact OE2-CZ 2.65Å; E79-R82 IonicContact OE2-NE 2.74Å; E79-R82 PolarHBondContact OE2-NE 3.11Å; E79-R82 IonicContact OE2-NH2 3.47Å; E79-R82 PolarHBondContact OE2-NH2 3.02Å
80	L	97.1	Very high	97.8	Very high	90 Å²	90	78.6 Å²	78.6	47%	0.471	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-53.6	-38.3	-178.6	-179.7	63.7	0	0	0	111.5	Y59 Y64 T78	Y59-L80 HydrophobicContact CD1-CD2 4.42Å; Y59-L80 HydrophobicContact CG-CD2 4.41Å; Y64-L80 HydrophobicContact CD1-CD2 4.26Å; Y64-L80 HydrophobicContact CG-CD2 4.2Å; Y64-L80 HydrophobicContact CG-CG 4.36Å; T78-L80 PolarHBondContact O-N 2.88Å
81	G	97.8	Very high	97.7	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-86.5	0.5	-174.7	0	0	0	0	0	116.3	Y64 T78 E79 R83 D84 T85	Y64-G81 WeakPolarHBondContact O-CA 3.39Å; T78-G81 PolarHBondContact O-N 3.49Å; E79-G81 PolarHBondContact O-N 2.89Å; E79-G81 VanDerWaalsContact O-N 3.15Å; G81-R83 PolarHBondContact O-N 3.36Å; G81-D84 PolarHBondContact O-N 3.38Å; G81-T85 VanDerWaalsContact O-CB 3.22Å; G81-T85 WeakPolarHBondContact O-CB 3.24Å; G81-T85 PolarHBondContact O-N 3.48Å; G81-T85 PolarHBondContact O-OG1 3.08Å
82	R	98	Very high	97.7	Very high	136 Å²	136	82.2 Å²	82.2	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-57.1	-49.6	-180	-73.5	-163.6	-157.3	177.5	15.5	112.1	A76 E79 D84 T85 E86	A76-R82 HydrophobicContact CB-CG 4.22Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 VanDerWaalsContact O-N 3.17Å; E79-R82 WeakPolarHBondContact OE1-CD 3.24Å; E79-R82 IonicContact OE1-CZ 3.68Å; E79-R82 IonicContact OE1-NE 2.7Å; E79-R82 PolarHBondContact OE1-NE 3.11Å; E79-R82 IonicContact OE1-NH1 3.89Å; E79-R82 IonicContact OE1-NH2 2.93Å; E79-R82 PolarHBondContact OE1-NH2 2.98Å; E79-R82 IonicContact OE2-CZ 2.65Å; E79-R82 IonicContact OE2-NE 2.74Å; E79-R82 PolarHBondContact OE2-NE 3.11Å; E79-R82 IonicContact OE2-NH2 3.47Å; E79-R82 PolarHBondContact OE2-NH2 3.02Å; R82-D84 PolarHBondContact O-N 3.48Å; R82-T85 PolarHBondContact O-N 3.41Å; R82-E86 WeakPolarHBondContact O-CG 3.33Å; R82-E86 PolarHBondContact O-N 3.08Å
83	R	97.5	Very high	97.6	Very high	210 Å²	210	89.9 Å²	89.9	79%	0.792	41%	0.408	S	S	*	.	H	α-helix	trans	-63.4	-44.6	-177.4	-69.9	-170.2	68	-175.4	-1.2	111.9	G81 E86 Y87	G81-R83 PolarHBondContact O-N 3.36Å; R83-E86 PolarHBondContact O-N 2.95Å; R83-Y87 WeakPolarHBondContact O-CB 3.45Å; R83-Y87 PolarHBondContact O-N 2.97Å
84	D	96.4	Very high	97.6	Very high	55 Å²	55	88.9 Å²	88.9	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-67.3	-41.9	179.9	-63.9	-28.5	0	0	0	111.2	Y64 T65 G81 R82 E86 Y87 Y88	Y64-D84 HydrophobicContact CE2-CB 4.38Å; Y64-D84 VanDerWaalsContact CE2-OD2 3.31Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.26Å; T65-D84 HydrophobicContact CG2-CB 4.49Å; G81-D84 PolarHBondContact O-N 3.38Å; R82-D84 PolarHBondContact O-N 3.48Å; D84-E86 PolarHBondContact O-N 3.38Å; D84-Y87 PolarHBondContact O-N 2.86Å; D84-Y88 HydrophobicContact CB-CD2 4.26Å; D84-Y88 HydrophobicContact CB-CE2 3.76Å; D84-Y88 WeakPolarHBondContact O-CB 3.37Å; D84-Y88 WeakPolarHBondContact O-CD2 3.09Å; D84-Y88 PolarHBondContact O-N 3.46Å
85	T	97.9	Very high	97.5	Very high	13 Å²	13	89.2 Å²	89.2	8%	0.08	40%	0.404	C	S	.	.	H	α-helix	trans	-57	-49.9	175.1	-60.4	0	0	0	0	111.6	T65 F74 A76 G81 R82 Y87 N89	T65-T85 WeakPolarHBondContact CB-OG1 3.43Å; T65-T85 PolarHBondContact OG1-OG1 3.28Å; F74-T85 HydrophobicContact CB-CG2 3.95Å; F74-T85 VanDerWaalsContact O-CG2 3.27Å; F74-T85 WeakPolarHBondContact O-CG2 3.29Å; A76-T85 WeakPolarHBondContact CA-OG1 3.46Å; A76-T85 PolarHBondContact N-OG1 2.9Å; A76-T85 VanDerWaalsContact N-OG1 3.15Å; G81-T85 VanDerWaalsContact O-CB 3.22Å; G81-T85 WeakPolarHBondContact O-CB 3.24Å; G81-T85 PolarHBondContact O-N 3.48Å; G81-T85 PolarHBondContact O-OG1 3.08Å; R82-T85 PolarHBondContact O-N 3.41Å; T85-Y87 VanDerWaalsContact C-N 3.31Å; T85-Y87 PolarHBondContact O-N 2.92Å; T85-N89 WeakPolarHBondContact O-CB 3.5Å; T85-N89 VanDerWaalsContact O-CG 3.31Å; T85-N89 PolarHBondContact O-N 3.09Å; T85-N89 PolarHBondContact O-ND2 3.37Å
86	E	97.4	Very high	97.4	Very high	109 Å²	109	86.3 Å²	86.3	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-40	177.2	-73.6	179.9	-159.7	0	0	112.2	R82 R83 D84 K90	R82-E86 WeakPolarHBondContact O-CG 3.33Å; R82-E86 PolarHBondContact O-N 3.08Å; R83-E86 PolarHBondContact O-N 2.95Å; D84-E86 PolarHBondContact O-N 3.38Å; E86-K90 WeakPolarHBondContact O-CD 3.39Å; E86-K90 WeakPolarHBondContact O-CG 3.27Å; E86-K90 PolarHBondContact O-N 3.19Å; E86-K90 IonicContact OE2-NZ 3.58Å
87	Y	97.6	Very high	97.4	Very high	135 Å²	135	93 Å²	93	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-50.6	178.7	174.8	-103.7	0	0	0	111.5	R83 D84 T85 N89 K90 Q91	R83-Y87 WeakPolarHBondContact O-CB 3.45Å; R83-Y87 PolarHBondContact O-N 2.97Å; D84-Y87 PolarHBondContact O-N 2.86Å; T85-Y87 VanDerWaalsContact C-N 3.31Å; T85-Y87 PolarHBondContact O-N 2.92Å; Y87-N89 PolarHBondContact O-N 3.37Å; Y87-K90 PolarHBondContact O-N 3.26Å; Y87-Q91 PolarHBondContact OH-NE2 3.43Å
88	Y	97.3	Very high	97.3	Very high	39 Å²	39	90.6 Å²	90.6	15%	0.153	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-45.2	178.6	-62.5	-36.8	0	0	0	111.7	Y57 T65 F74 D84 K90 Q91 Y94 I95	Y57-Y88 HydrophobicContact CE2-CE2 4.39Å; T65-Y88 HydrophobicContact CG2-CE2 4.16Å; F74-Y88 HydrophobicContact CD1-CD2 4.04Å; F74-Y88 HydrophobicContact CD2-CD2 4.44Å; F74-Y88 HydrophobicContact CD2-CG 4.44Å; F74-Y88 HydrophobicContact CE1-CD2 4.15Å; F74-Y88 HydrophobicContact CE2-CG 4.45Å; F74-Y88 HydrophobicContact CG-CD2 4.2Å; F74-Y88 HydrophobicContact CZ-CD2 4.4Å; D84-Y88 HydrophobicContact CB-CD2 4.26Å; D84-Y88 HydrophobicContact CB-CE2 3.76Å; D84-Y88 WeakPolarHBondContact O-CB 3.37Å; D84-Y88 WeakPolarHBondContact O-CD2 3.09Å; D84-Y88 PolarHBondContact O-N 3.46Å; Y88-K90 PolarHBondContact O-N 3.44Å; Y88-Q91 PolarHBondContact O-N 2.75Å; Y88-Y94 HydrophobicContact CD1-CD1 4.08Å; Y88-Y94 AromaticContact CD1-CE1 3.75Å; Y88-Y94 HydrophobicContact CD1-CE1 3.75Å; Y88-Y94 HydrophobicContact CE1-CE1 4.46Å; Y88-Y94 HydrophobicContact CG-CD1 4.29Å; Y88-Y94 AromaticContact CG-CE1 3.85Å; Y88-Y94 HydrophobicContact CG-CE1 3.85Å; Y88-I95 WeakPolarHBondContact O-CG1 3.3Å
89	N	98.1	Very high	97.3	Very high	52 Å²	52	93.9 Å²	93.9	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-23.4	179.9	-72.9	-17	0	0	0	113.6	F74 T85 Y87 Q91 I95	F74-N89 WeakPolarHBondContact CB-OD1 3.46Å; F74-N89 PolarHBondContact N-OD1 3.2Å; F74-N89 PolarHBondContact O-ND2 2.91Å; T85-N89 WeakPolarHBondContact O-CB 3.5Å; T85-N89 VanDerWaalsContact O-CG 3.31Å; T85-N89 PolarHBondContact O-N 3.09Å; T85-N89 PolarHBondContact O-ND2 3.37Å; Y87-N89 PolarHBondContact O-N 3.37Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; N89-I95 WeakPolarHBondContact OD1-CD1 3.43Å
90	K	97.8	Very high	97.4	Very high	161 Å²	161	90.1 Å²	90.1	70%	0.7	40%	0.395	S	S	*	.	H	α-helix	trans	-76.5	-19	174	-75.8	167.3	-173.3	165.7	0	112.9	E86 Y87 Y88 K92	E86-K90 WeakPolarHBondContact O-CD 3.39Å; E86-K90 WeakPolarHBondContact O-CG 3.27Å; E86-K90 PolarHBondContact O-N 3.19Å; E86-K90 IonicContact OE2-NZ 3.58Å; Y87-K90 PolarHBondContact O-N 3.26Å; Y88-K90 PolarHBondContact O-N 3.44Å; K90-K92 PolarHBondContact O-N 2.77Å
91	Q	97.5	Very high	97.4	Very high	71 Å²	71	86.2 Å²	86.2	33%	0.332	38%	0.376	S	S	.	.			trans	-89.1	94.6	-179.6	-65.2	-168.1	-2.2	0	0	111.1	Y87 Y88 N89 E93 Y94 I95	Y87-Q91 PolarHBondContact OH-NE2 3.43Å; Y88-Q91 PolarHBondContact O-N 2.75Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; Q91-E93 PolarHBondContact O-N 3.09Å; Q91-Y94 PolarHBondContact O-N 3.2Å; Q91-Y94 VanDerWaalsContact O-N 3.1Å; Q91-I95 PolarHBondContact O-N 3.28Å; Q91-I95 VanDerWaalsContact O-N 3.08Å
92	K	96.2	Very high	97.4	Very high	165 Å²	165	87 Å²	87	72%	0.717	38%	0.381	S	S	*	.	H	α-helix	trans	-53.6	-49.2	-176.3	-172.1	177.3	179.9	-178.8	0	113	K90 Y94 I95 E96	K90-K92 PolarHBondContact O-N 2.77Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.2Å; K92-I95 PolarHBondContact O-N 3.44Å; K92-E96 HydrophobicContact CG-CG 4.44Å; K92-E96 WeakPolarHBondContact O-CG 3.38Å; K92-E96 PolarHBondContact O-N 3.28Å
93	E	97.1	Very high	97.5	Very high	173 Å²	173	85 Å²	85	81%	0.808	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-35.5	-179.1	-65.6	-178.7	-177.7	0	0	112.7	Q91 R97	Q91-E93 PolarHBondContact O-N 3.09Å; E93-R97 WeakPolarHBondContact O-CB 3.48Å; E93-R97 PolarHBondContact O-N 3.47Å; E93-R97 VanDerWaalsContact O-N 3.12Å
94	Y	96.2	Very high	97.5	Very high	40 Å²	40	79 Å²	79	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-69.1	-49.5	179.8	-176.5	-118.4	0	0	0	111.1	Y57 F74 Y88 Q91 K92 E96 R97 E98	Y57-Y94 PolarHBondContact OH-OH 3.34Å; F74-Y94 HydrophobicContact CD2-CE1 4.49Å; F74-Y94 HydrophobicContact CE2-CD1 4.12Å; F74-Y94 AromaticContact CE2-CE1 3.44Å; F74-Y94 HydrophobicContact CE2-CE1 3.44Å; F74-Y94 VanDerWaalsContact CE2-CE1 3.44Å; F74-Y94 AromaticContact CZ-CE1 3.61Å; F74-Y94 HydrophobicContact CZ-CE1 3.61Å; F74-Y94 AromaticContact CZ-CZ 3.97Å; Y88-Y94 HydrophobicContact CD1-CD1 4.08Å; Y88-Y94 AromaticContact CD1-CE1 3.75Å; Y88-Y94 HydrophobicContact CD1-CE1 3.75Å; Y88-Y94 HydrophobicContact CE1-CE1 4.46Å; Y88-Y94 HydrophobicContact CG-CD1 4.29Å; Y88-Y94 AromaticContact CG-CE1 3.85Å; Y88-Y94 HydrophobicContact CG-CE1 3.85Å; Q91-Y94 PolarHBondContact O-N 3.2Å; Q91-Y94 VanDerWaalsContact O-N 3.1Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.2Å; Y94-E96 PolarHBondContact O-N 2.86Å; Y94-R97 WeakPolarHBondContact O-CB 3.31Å; Y94-R97 PolarHBondContact O-N 3.34Å; Y94-R97 VanDerWaalsContact O-N 3.15Å; Y94-E98 HydrophobicContact CE1-CG 4.31Å; Y94-E98 HydrophobicContact CE2-CG 4.22Å; Y94-E98 VanDerWaalsContact CE2-OE1 3.25Å; Y94-E98 WeakPolarHBondContact CE2-OE1 3.08Å; Y94-E98 VanDerWaalsContact CZ-OE1 3.26Å; Y94-E98 WeakPolarHBondContact O-CG 3.44Å; Y94-E98 PolarHBondContact O-N 3.42Å; Y94-E98 PolarHBondContact OH-OE1 3.04Å
95	I	96.6	Very high	97.5	Very high	7 Å²	7	79.9 Å²	79.9	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-41.7	178.4	-67.4	-70.6	0	0	0	112.3	F74 Y88 N89 Q91 K92 R97 E98 R99	F74-I95 HydrophobicContact CD2-CD1 3.48Å; F74-I95 VanDerWaalsContact CD2-CD1 3.48Å; F74-I95 HydrophobicContact CE2-CD1 3.83Å; Y88-I95 WeakPolarHBondContact O-CG1 3.3Å; N89-I95 WeakPolarHBondContact OD1-CD1 3.43Å; Q91-I95 PolarHBondContact O-N 3.28Å; Q91-I95 VanDerWaalsContact O-N 3.08Å; K92-I95 PolarHBondContact O-N 3.44Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.06Å; I95-E98 PolarHBondContact O-N 3.36Å; I95-R99 HydrophobicContact CG2-CG 4.42Å; I95-R99 WeakPolarHBondContact O-CG 3.32Å; I95-R99 PolarHBondContact O-N 3.37Å
96	E	97.7	Very high	97.5	Very high	88 Å²	88	79.2 Å²	79.2	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-35.1	176.6	-67.4	-54	148.3	0	0	111.8	K92 Y94 R99 A100	K92-E96 HydrophobicContact CG-CG 4.44Å; K92-E96 WeakPolarHBondContact O-CG 3.38Å; K92-E96 PolarHBondContact O-N 3.28Å; Y94-E96 PolarHBondContact O-N 2.86Å; E96-R99 PolarHBondContact O-N 3.31Å; E96-R99 IonicContact OE1-CZ 2.71Å; E96-R99 IonicContact OE1-NH1 3.46Å; E96-R99 PolarHBondContact OE1-NH1 2.98Å; E96-R99 IonicContact OE2-NH1 3.73Å; E96-A100 WeakPolarHBondContact O-CB 3.44Å; E96-A100 PolarHBondContact O-N 2.95Å
97	R	97.3	Very high	97.6	Very high	182 Å²	182	77 Å²	77	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-44.6	172.3	-177.1	-176.6	-69.7	175.3	-0.5	111.7	E93 Y94 I95 R99 A100 A101	E93-R97 WeakPolarHBondContact O-CB 3.48Å; E93-R97 PolarHBondContact O-N 3.47Å; E93-R97 VanDerWaalsContact O-N 3.12Å; Y94-R97 WeakPolarHBondContact O-CB 3.31Å; Y94-R97 PolarHBondContact O-N 3.34Å; Y94-R97 VanDerWaalsContact O-N 3.15Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.06Å; R97-R99 VanDerWaalsContact C-N 3.35Å; R97-A100 PolarHBondContact O-N 3.31Å; R97-A101 PolarHBondContact O-N 2.97Å
98	E	97.3	Very high	97.6	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-38.6	177.9	-65	-59.4	159.5	0	0	111.9	V55 F67 F74 Y94 I95 A100 A101	V55-E98 WeakPolarHBondContact CG2-OE2 3.39Å; F67-E98 HydrophobicContact CD1-CB 4Å; F67-E98 HydrophobicContact CD2-CB 3.88Å; F67-E98 HydrophobicContact CE1-CB 3.85Å; F67-E98 WeakPolarHBondContact CE1-O 3.42Å; F67-E98 HydrophobicContact CE2-CB 3.71Å; F67-E98 HydrophobicContact CG-CB 4.03Å; F67-E98 HydrophobicContact CZ-CB 3.71Å; F74-E98 HydrophobicContact CE2-CG 4.04Å; F74-E98 HydrophobicContact CZ-CG 4.15Å; Y94-E98 HydrophobicContact CE1-CG 4.31Å; Y94-E98 HydrophobicContact CE2-CG 4.22Å; Y94-E98 VanDerWaalsContact CE2-OE1 3.25Å; Y94-E98 WeakPolarHBondContact CE2-OE1 3.08Å; Y94-E98 VanDerWaalsContact CZ-OE1 3.26Å; Y94-E98 WeakPolarHBondContact O-CG 3.44Å; Y94-E98 PolarHBondContact O-N 3.42Å; Y94-E98 PolarHBondContact OH-OE1 3.04Å; I95-E98 PolarHBondContact O-N 3.36Å; E98-A100 PolarHBondContact O-N 3.26Å; E98-A101 WeakPolarHBondContact O-CB 3.42Å; E98-A101 PolarHBondContact O-N 2.97Å
99	R	97.9	Very high	97.6	Very high	109 Å²	109	76.9 Å²	76.9	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-43.4	172.7	-70.4	171	-178	165.1	1.4	111.8	F67 G72 I95 E96 R97 A101	F67-R99 HydrophobicContact CE2-CG 4.2Å; F67-R99 HydrophobicContact CZ-CB 4.48Å; F67-R99 HydrophobicContact CZ-CG 3.84Å; G72-R99 VanDerWaalsContact O-CZ 3.27Å; G72-R99 PolarHBondContact O-NE 3.43Å; G72-R99 PolarHBondContact O-NH2 2.92Å; I95-R99 HydrophobicContact CG2-CG 4.42Å; I95-R99 WeakPolarHBondContact O-CG 3.32Å; I95-R99 PolarHBondContact O-N 3.37Å; E96-R99 PolarHBondContact O-N 3.31Å; E96-R99 IonicContact OE1-CZ 2.71Å; E96-R99 IonicContact OE1-NH1 3.46Å; E96-R99 PolarHBondContact OE1-NH1 2.98Å; E96-R99 IonicContact OE2-NH1 3.73Å; R97-R99 VanDerWaalsContact C-N 3.35Å; R99-A101 VanDerWaalsContact C-N 3.26Å; R99-A101 PolarHBondContact O-N 3.18Å
100	A	98.2	Very high	97.6	Very high	42 Å²	42	76.3 Å²	76.3	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-14.6	178.5	0	0	0	0	0	113.7	E96 R97 E98 V102 D103 T104	E96-A100 WeakPolarHBondContact O-CB 3.44Å; E96-A100 PolarHBondContact O-N 2.95Å; R97-A100 PolarHBondContact O-N 3.31Å; E98-A100 PolarHBondContact O-N 3.26Å; A100-V102 PolarHBondContact O-N 3.03Å; A100-D103 PolarHBondContact O-N 3.49Å; A100-D103 VanDerWaalsContact O-N 3.17Å; A100-T104 HydrophobicContact CB-CG2 4.45Å; A100-T104 WeakPolarHBondContact O-CG2 3.12Å; A100-T104 PolarHBondContact O-N 3.48Å; A100-T104 PolarHBondContact O-OG1 2.93Å
101	A	98.1	Very high	97.6	Very high	8 Å²	8	74 Å²	74	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-18.8	-178	0	0	0	0	0	113.4	L53 R97 E98 R99 D103 T104 I105 C106	L53-A101 HydrophobicContact CD2-CB 3.41Å; L53-A101 VanDerWaalsContact CD2-CB 3.41Å; R97-A101 PolarHBondContact O-N 2.97Å; E98-A101 WeakPolarHBondContact O-CB 3.42Å; E98-A101 PolarHBondContact O-N 2.97Å; R99-A101 VanDerWaalsContact C-N 3.26Å; R99-A101 PolarHBondContact O-N 3.18Å; A101-D103 VanDerWaalsContact C-N 3.29Å; A101-D103 PolarHBondContact O-N 2.99Å; A101-T104 WeakPolarHBondContact CA-OG1 3.45Å; A101-I105 HydrophobicContact CB-CB 4.37Å; A101-I105 HydrophobicContact CB-CG1 4.01Å; A101-I105 WeakPolarHBondContact O-CA 3.3Å; A101-I105 VanDerWaalsContact O-CB 3.28Å; A101-I105 WeakPolarHBondContact O-CB 3.18Å; A101-I105 PolarHBondContact O-N 2.59Å; A101-C106 PolarHBondContact O-N 3.04Å
102	V	98.4	Very high	97.5	Very high	18 Å²	18	74.1 Å²	74.1	11%	0.109	35%	0.35	C	S	.	.	I	π-helix	trans	-56.3	-45.3	169.6	179.5	0	0	0	0	110.9	V51 L53 S69 A100 C106 R107	V51-V102 HydrophobicContact CB-CG1 3.86Å; V51-V102 HydrophobicContact CG1-CG1 3.97Å; L53-V102 HydrophobicContact CB-CG2 3.9Å; S69-V102 VanDerWaalsContact CB-CG2 3.43Å; A100-V102 PolarHBondContact O-N 3.03Å; V102-C106 VanDerWaalsContact O-CB 3.25Å; V102-C106 WeakPolarHBondContact O-CB 3.05Å; V102-C106 PolarHBondContact O-N 2.85Å; V102-R107 PolarHBondContact O-N 3.34Å
103	D	98.3	Very high	97.5	Very high	93 Å²	93	67.8 Å²	67.8	50%	0.497	33%	0.326	S	S	.	.	I	π-helix	trans	-89.8	-48.5	-178.3	-60.4	-39.4	0	0	0	111.3	A100 A101 I105 R107 H108	A100-D103 PolarHBondContact O-N 3.49Å; A100-D103 VanDerWaalsContact O-N 3.17Å; A101-D103 VanDerWaalsContact C-N 3.29Å; A101-D103 PolarHBondContact O-N 2.99Å; D103-I105 VanDerWaalsContact C-N 3.32Å; D103-I105 PolarHBondContact O-N 3.19Å; D103-R107 WeakPolarHBondContact OD1-CD 3.43Å; D103-R107 IonicContact OD1-CZ 3.92Å; D103-R107 IonicContact OD1-NE 3.28Å; D103-R107 PolarHBondContact OD1-NE 3.47Å; D103-H108 PolarHBondContact O-N 3.28Å
104	T	97.9	Very high	97.5	Very high	83 Å²	83	63.4 Å²	63.4	51%	0.509	31%	0.308	S	S	.	.	I	π-helix	trans	-71.8	-23.9	-172.9	59.3	0	0	0	0	113.9	A100 A101 H108	A100-T104 HydrophobicContact CB-CG2 4.45Å; A100-T104 WeakPolarHBondContact O-CG2 3.12Å; A100-T104 PolarHBondContact O-N 3.48Å; A100-T104 PolarHBondContact O-OG1 2.93Å; A101-T104 WeakPolarHBondContact CA-OG1 3.45Å; T104-H108 WeakPolarHBondContact O-CB 3.06Å
105	I	97.5	Very high	97.4	Very high	74 Å²	74	71.1 Å²	71.1	38%	0.379	34%	0.337	S	S	.	.	I	π-helix	trans	-114.1	-60.7	178.1	-56.7	-63	0	0	0	110.5	A101 D103 N109	A101-I105 HydrophobicContact CB-CB 4.37Å; A101-I105 HydrophobicContact CB-CG1 4.01Å; A101-I105 WeakPolarHBondContact O-CA 3.3Å; A101-I105 VanDerWaalsContact O-CB 3.28Å; A101-I105 WeakPolarHBondContact O-CB 3.18Å; A101-I105 PolarHBondContact O-N 2.59Å; D103-I105 VanDerWaalsContact C-N 3.32Å; D103-I105 PolarHBondContact O-N 3.19Å; I105-N109 WeakPolarHBondContact O-CB 3.35Å; I105-N109 PolarHBondContact O-N 2.81Å; I105-N109 PolarHBondContact O-ND2 3.47Å
106	C	98.3	Very high	97.3	Very high	0 Å²	0	77 Å²	77	0%	0	36%	0.363	C	S	.	.	I	π-helix	trans	-66.8	-55.3	-170.5	-60.9	0	0	0	0	112.3	C42 F44 V51 A101 V102 N109 Y110	C42-C106 HydrophobicContact CB-CB 3.57Å; C42-C106 WeakPolarHBondContact CB-SG 3.42Å; C42-C106 WeakPolarHBondContact SG-CA 3.43Å; C42-C106 WeakPolarHBondContact SG-CB 3.36Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.14Å; F44-C106 HydrophobicContact CE1-CB 4.1Å; F44-C106 WeakPolarHBondContact CE1-O 3.33Å; F44-C106 HydrophobicContact CZ-CB 4.01Å; F44-C106 WeakPolarHBondContact CZ-O 3.48Å; V51-C106 HydrophobicContact CG1-CB 3.54Å; A101-C106 PolarHBondContact O-N 3.04Å; V102-C106 VanDerWaalsContact O-CB 3.25Å; V102-C106 WeakPolarHBondContact O-CB 3.05Å; V102-C106 PolarHBondContact O-N 2.85Å; C106-N109 PolarHBondContact O-N 2.71Å; C106-Y110 WeakPolarHBondContact O-CB 3.41Å; C106-Y110 PolarHBondContact O-N 2.93Å
107	R	98.4	Very high	97.2	Very high	63 Å²	63	74.8 Å²	74.8	24%	0.238	35%	0.354	C	S	.	.	I	π-helix	trans	-63.6	-46.2	178.6	-67.4	-179.6	-170.3	-77.3	-11.8	111.8	T48 V51 V102 D103 N109 Y110 E111	T48-R107 VanDerWaalsContact O-CZ 3.31Å; T48-R107 PolarHBondContact O-NH1 2.81Å; T48-R107 PolarHBondContact O-NH2 2.96Å; V51-R107 HydrophobicContact CG2-CG 4.1Å; V102-R107 PolarHBondContact O-N 3.34Å; D103-R107 WeakPolarHBondContact OD1-CD 3.43Å; D103-R107 IonicContact OD1-CZ 3.92Å; D103-R107 IonicContact OD1-NE 3.28Å; D103-R107 PolarHBondContact OD1-NE 3.47Å; R107-N109 VanDerWaalsContact C-N 3.34Å; R107-N109 PolarHBondContact O-N 3.11Å; R107-Y110 WeakPolarHBondContact O-CB 3.38Å; R107-Y110 PolarHBondContact O-N 3.2Å; R107-Y110 VanDerWaalsContact O-N 3.11Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 2.94Å
108	H	97.6	Very high	97.1	Very high	96 Å²	96	69.5 Å²	69.5	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-54.8	-48.1	178.1	-177.9	66.4	0	0	0	112.6	D103 T104 E111 I112	D103-H108 PolarHBondContact O-N 3.28Å; T104-H108 WeakPolarHBondContact O-CB 3.06Å; H108-E111 PolarHBondContact O-N 2.61Å; H108-I112 PolarHBondContact O-N 2.73Å
109	N	98	Very high	97	Very high	75 Å²	75	72.4 Å²	72.4	40%	0.401	36%	0.361	S	S	.	.	H	α-helix	trans	-70.6	-32	178.3	-71.1	-22.6	0	0	0	112.7	I105 C106 R107 I112 S113	I105-N109 WeakPolarHBondContact O-CB 3.35Å; I105-N109 PolarHBondContact O-N 2.81Å; I105-N109 PolarHBondContact O-ND2 3.47Å; C106-N109 PolarHBondContact O-N 2.71Å; R107-N109 VanDerWaalsContact C-N 3.34Å; R107-N109 PolarHBondContact O-N 3.11Å; N109-I112 PolarHBondContact O-N 3.49Å; N109-S113 WeakPolarHBondContact O-CB 3.4Å; N109-S113 PolarHBondContact O-N 3.15Å; N109-S113 PolarHBondContact O-OG 2.65Å
110	Y	97.9	Very high	97	Very high	40 Å²	40	71.7 Å²	71.7	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.6	-170.5	-80.9	0	0	0	110.8	F44 T48 C106 R107 I112 S113 D114 V118	F44-Y110 HydrophobicContact CB-CD2 4.29Å; F44-Y110 HydrophobicContact CB-CE2 4.09Å; F44-Y110 AromaticContact CD1-CD2 3.43Å; F44-Y110 HydrophobicContact CD1-CD2 3.43Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.43Å; F44-Y110 HydrophobicContact CD1-CE2 4.04Å; F44-Y110 HydrophobicContact CD1-CG 4.03Å; F44-Y110 AromaticContact CD2-CD2 3.84Å; F44-Y110 HydrophobicContact CD2-CD2 3.84Å; F44-Y110 HydrophobicContact CD2-CE2 4.28Å; F44-Y110 AromaticContact CE1-CD2 3.59Å; F44-Y110 HydrophobicContact CE1-CD2 3.59Å; F44-Y110 AromaticContact CE1-CG 3.89Å; F44-Y110 HydrophobicContact CE1-CG 3.89Å; F44-Y110 AromaticContact CE2-CD2 3.96Å; F44-Y110 HydrophobicContact CE2-CD2 3.96Å; F44-Y110 AromaticContact CG-CD2 3.58Å; F44-Y110 HydrophobicContact CG-CD2 3.58Å; F44-Y110 AromaticContact CG-CE2 3.88Å; F44-Y110 HydrophobicContact CG-CE2 3.88Å; F44-Y110 AromaticContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CG 4.3Å; T48-Y110 HydrophobicContact CG2-CD1 3.27Å; T48-Y110 HydrophobicContact CG2-CD2 4.25Å; T48-Y110 HydrophobicContact CG2-CE1 3.69Å; T48-Y110 HydrophobicContact CG2-CG 3.58Å; C106-Y110 WeakPolarHBondContact O-CB 3.41Å; C106-Y110 PolarHBondContact O-N 2.93Å; R107-Y110 WeakPolarHBondContact O-CB 3.38Å; R107-Y110 PolarHBondContact O-N 3.2Å; R107-Y110 VanDerWaalsContact O-N 3.11Å; Y110-I112 PolarHBondContact O-N 2.97Å; Y110-S113 CarbonylContact O-C 3.45Å; Y110-S113 WeakPolarHBondContact O-CA 3.31Å; Y110-S113 PolarHBondContact O-N 3.14Å; Y110-D114 HydrophobicContact CD1-CB 4.2Å; Y110-D114 HydrophobicContact CE1-CB 4.09Å; Y110-D114 VanDerWaalsContact O-CB 3.31Å; Y110-D114 WeakPolarHBondContact O-CB 3.25Å; Y110-D114 PolarHBondContact O-N 2.86Å; Y110-V118 HydrophobicContact CE1-CG2 4.3Å; Y110-V118 HydrophobicContact CE2-CG2 3.99Å
111	E	96.7	Very high	97	Very high	111 Å²	111	73.3 Å²	73.3	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-31.6	178	-71.8	172.5	-173.9	0	0	113.3	R107 H108 R115	R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 2.94Å; H108-E111 PolarHBondContact O-N 2.61Å; E111-R115 PolarHBondContact O-NE 3.05Å
112	I	96.7	Very high	97	Very high	74 Å²	74	75.1 Å²	75.1	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-73.1	-47	173.5	-63.9	168.7	0	0	0	109.9	H108 N109 Y110 D114 R115 F116	H108-I112 PolarHBondContact O-N 2.73Å; N109-I112 PolarHBondContact O-N 3.49Å; Y110-I112 PolarHBondContact O-N 2.97Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 3.37Å; I112-R115 PolarHBondContact O-N 2.74Å; I112-F116 HydrophobicContact CG2-CE1 4.18Å; I112-F116 WeakPolarHBondContact O-CD1 3.4Å; I112-F116 WeakPolarHBondContact O-CE1 3.41Å
113	S	95.8	Very high	97	Very high	32 Å²	32	80.2 Å²	80.2	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-68.4	-27.5	-179.5	-63.6	0	0	0	0	113.1	N109 Y110 R115 F116 L117 V118	N109-S113 WeakPolarHBondContact O-CB 3.4Å; N109-S113 PolarHBondContact O-N 3.15Å; N109-S113 PolarHBondContact O-OG 2.65Å; Y110-S113 CarbonylContact O-C 3.45Å; Y110-S113 WeakPolarHBondContact O-CA 3.31Å; Y110-S113 PolarHBondContact O-N 3.14Å; S113-R115 PolarHBondContact O-N 3.37Å; S113-R115 VanDerWaalsContact O-N 3.15Å; S113-F116 PolarHBondContact O-N 2.9Å; S113-L117 WeakPolarHBondContact O-CA 3.38Å; S113-L117 WeakPolarHBondContact O-CB 3.38Å; S113-L117 PolarHBondContact O-N 3.11Å; S113-V118 PolarHBondContact O-N 3.03Å; S113-V118 VanDerWaalsContact O-N 3.14Å
114	D	96.2	Very high	97	Very high	81 Å²	81	76.5 Å²	76.5	43%	0.433	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.9	179.1	-165.7	43.4	0	0	0	112.2	Y110 I112 V118 P119	Y110-D114 HydrophobicContact CD1-CB 4.2Å; Y110-D114 HydrophobicContact CE1-CB 4.09Å; Y110-D114 VanDerWaalsContact O-CB 3.31Å; Y110-D114 WeakPolarHBondContact O-CB 3.25Å; Y110-D114 PolarHBondContact O-N 2.86Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 3.37Å; D114-V118 HydrophobicContact CB-CG2 4.44Å; D114-P119 WeakPolarHBondContact O-CD 3Å; D114-P119 WeakPolarHBondContact O-CG 3.46Å
115	R	95.7	Very high	97	Very high	203 Å²	203	78.5 Å²	78.5	77%	0.766	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.4	178.8	-58	176.8	-171.1	-175.4	-0.3	113.6	E111 I112 S113	E111-R115 PolarHBondContact O-NE 3.05Å; I112-R115 PolarHBondContact O-N 2.74Å; S113-R115 PolarHBondContact O-N 3.37Å; S113-R115 VanDerWaalsContact O-N 3.15Å
116	F	94.1	Very high	97	Very high	131 Å²	131	76.1 Å²	76.1	58%	0.575	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	-23.9	-169.9	70.9	-93	0	0	0	115.4	I112 S113	I112-F116 HydrophobicContact CG2-CE1 4.18Å; I112-F116 WeakPolarHBondContact O-CD1 3.4Å; I112-F116 WeakPolarHBondContact O-CE1 3.41Å; S113-F116 PolarHBondContact O-N 2.9Å
117	L	94.9	Very high	97	Very high	41 Å²	41	79.5 Å²	79.5	22%	0.215	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-49.7	-174.3	179.2	59	0	0	0	112.5	S113 R120 W180	S113-L117 WeakPolarHBondContact O-CA 3.38Å; S113-L117 WeakPolarHBondContact O-CB 3.38Å; S113-L117 PolarHBondContact O-N 3.11Å; L117-R120 WeakPolarHBondContact O-CB 3.34Å; L117-R120 PolarHBondContact O-N 3.19Å; L117-R120 VanDerWaalsContact O-N 3.11Å; L117-W180 HydrophobicContact CD1-CE3 3.73Å; L117-W180 HydrophobicContact CD1-CH2 3.98Å; L117-W180 HydrophobicContact CD1-CZ3 3.27Å; L117-W180 HydrophobicContact CD2-CH2 4.03Å; L117-W180 HydrophobicContact CD2-CZ3 3.98Å; L117-W180 HydrophobicContact CG-CZ3 4.27Å
118	V	95	Very high	97	Very high	70 Å²	70	77.7 Å²	77.7	42%	0.424	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-47.1	178.9	-179.7	0	0	0	0	112.1	Y110 S113 D114 R120	Y110-V118 HydrophobicContact CE1-CG2 4.3Å; Y110-V118 HydrophobicContact CE2-CG2 3.99Å; S113-V118 PolarHBondContact O-N 3.03Å; S113-V118 VanDerWaalsContact O-N 3.14Å; D114-V118 HydrophobicContact CB-CG2 4.44Å; V118-R120 PolarHBondContact O-N 2.7Å
119	P	95.6	Very high	96.8	Very high	76 Å²	76	77.9 Å²	77.9	49%	0.494	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.1	177.2	34.3	-38.7	0	0	0	113	D114 T121	D114-P119 WeakPolarHBondContact O-CD 3Å; D114-P119 WeakPolarHBondContact O-CG 3.46Å; P119-T121 PolarHBondContact O-N 3.37Å
120	R	97.1	Very high	96.6	Very high	94 Å²	94	76 Å²	76	36%	0.355	38%	0.375	S	S	.	.			trans	-62.7	124.7	-176.5	-177.4	-178.1	171.9	82.5	-1.1	109.5	L117 V118 Y150	L117-R120 WeakPolarHBondContact O-CB 3.34Å; L117-R120 PolarHBondContact O-N 3.19Å; L117-R120 VanDerWaalsContact O-N 3.11Å; V118-R120 PolarHBondContact O-N 2.7Å; R120-Y150 HydrophobicContact CB-CD1 4.03Å; R120-Y150 HydrophobicContact CB-CE1 3.9Å; R120-Y150 HydrophobicContact CG-CD1 3.77Å; R120-Y150 HydrophobicContact CG-CE1 4.04Å; R120-Y150 VanDerWaalsContact O-CD1 3.3Å; R120-Y150 WeakPolarHBondContact O-CD1 3.27Å
121	T	98.1	Very high	96.2	Very high	77 Å²	77	77.3 Å²	77.3	47%	0.472	39%	0.389	S	S	.	.			trans	-134.4	138.6	172.6	57	0	0	0	0	110.1	P119 Y150	P119-T121 PolarHBondContact O-N 3.37Å; T121-Y150 CarbonylContact C-O 3.56Å; T121-Y150 VanDerWaalsContact CA-O 3.24Å; T121-Y150 WeakPolarHBondContact CA-O 3.19Å
122	V	98.3	Very high	95.6	Very high	46 Å²	46	77.5 Å²	77.5	28%	0.279	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-132.6	128.3	175.2	-174.4	0	0	0	0	108	D148 F149 Y150 H204	V122-D148 WeakPolarHBondContact CG1-O 3.48Å; V122-F149 WeakPolarHBondContact O-CA 3.43Å; V122-Y150 PolarHBondContact N-O 3.4Å; V122-Y150 PolarHBondContact O-N 3Å; V122-H204 PolarHBondContact O-CE1 2.96Å
123	E	98.3	Very high	94.5	Very high	124 Å²	124	80.9 Å²	80.9	58%	0.579	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-69.3	138.8	-177.6	-67.3	-176.4	179	0	0	113	S206 L207	E123-S206 VanDerWaalsContact CA-OG 3.24Å; E123-S206 WeakPolarHBondContact CA-OG 3.35Å; E123-S206 WeakPolarHBondContact CG-OG 3.2Å; E123-L207 HydrophobicContact CB-CD2 4.27Å; E123-L207 HydrophobicContact CG-CD2 3.96Å
124	P	98.5	Very high	93.3	Very high	15 Å²	15	83.5 Å²	83.5	10%	0.097	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-70.7	143	175.9	27.6	-33	0	0	0	112.4	V126 V146 S147 F149 V202 H204 L207	P124-V126 HydrophobicContact CB-CG2 4.31Å; P124-V126 HydrophobicContact CG-CG2 4.46Å; P124-V146 HydrophobicContact CB-CG1 3.58Å; P124-S147 WeakPolarHBondContact CA-O 3.41Å; P124-F149 HydrophobicContact CB-CB 3.76Å; P124-F149 HydrophobicContact CB-CD1 4.18Å; P124-F149 HydrophobicContact CB-CG 4.22Å; P124-F149 HydrophobicContact CG-CB 4.5Å; P124-V202 HydrophobicContact CG-CG1 4.05Å; P124-H204 HydrophobicContact CG-CB 4.28Å; P124-L207 HydrophobicContact CG-CD1 3.93Å; P124-L207 HydrophobicContact CG-CG 4.45Å
125	K	98.3	Very high	91.9	Very high	126 Å²	126	83.1 Å²	83.1	55%	0.548	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.9	161.7	-63.1	178	-166.7	157.5	0	108.4	V146 S147 D148	K125-V146 WeakPolarHBondContact O-CA 3.48Å; K125-S147 PolarHBondContact N-O 2.85Å; K125-S147 PolarHBondContact O-N 2.82Å; K125-D148 HydrophobicContact CD-CB 4.39Å; K125-D148 WeakPolarHBondContact CD-OD2 3.49Å; K125-D148 WeakPolarHBondContact CE-OD2 3.04Å; K125-D148 IonicContact NZ-OD2 3.88Å; K125-D148 PolarHBondContact NZ-OD2 3.49Å
126	V	98.6	Very high	90.5	Very high	23 Å²	23	75 Å²	75	14%	0.139	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.2	-176.9	-172.3	0	0	0	0	109.4	P124 S145 V202 V211 V213	P124-V126 HydrophobicContact CB-CG2 4.31Å; P124-V126 HydrophobicContact CG-CG2 4.46Å; V126-S145 WeakPolarHBondContact CA-O 3.32Å; V126-V202 HydrophobicContact CB-CG2 4.47Å; V126-V202 HydrophobicContact CG1-CG2 3.87Å; V126-V202 HydrophobicContact CG2-CB 4.05Å; V126-V202 HydrophobicContact CG2-CG1 4.35Å; V126-V202 HydrophobicContact CG2-CG2 3.7Å; V126-V211 HydrophobicContact CB-CG1 4.26Å; V126-V211 HydrophobicContact CG2-CG1 3.99Å; V126-V213 HydrophobicContact CB-CG2 3.87Å; V126-V213 HydrophobicContact CG1-CB 4.23Å; V126-V213 HydrophobicContact CG1-CG2 3.62Å
127	T	97.8	Very high	89.5	Confident	72 Å²	72	76.8 Å²	76.8	44%	0.442	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.9	175.7	57	0	0	0	0	110.4	C144 S145	T127-C144 WeakPolarHBondContact O-CA 3.42Å; T127-S145 PolarHBondContact N-O 3.11Å; T127-S145 PolarHBondContact O-N 2.75Å; T127-S145 WeakPolarHBondContact OG1-CB 3.43Å
128	V	97.3	Very high	88.7	Confident	24 Å²	24	79.7 Å²	79.7	15%	0.145	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	178.3	177.4	0	0	0	0	110	L142 V143 C144 W158 C200 V213 W215	V128-L142 HydrophobicContact CG1-CD1 3.85Å; V128-L142 HydrophobicContact CG1-CD2 4.1Å; V128-L142 HydrophobicContact CG1-CG 3.88Å; V128-V143 VanDerWaalsContact CA-O 3.29Å; V128-V143 WeakPolarHBondContact CA-O 3.36Å; V128-C144 HydrophobicContact CG2-CB 4.29Å; V128-W158 HydrophobicContact CG1-CH2 3.7Å; V128-W158 HydrophobicContact CG1-CZ3 4.35Å; V128-W158 HydrophobicContact CG2-CH2 4.16Å; V128-C200 HydrophobicContact CG2-CB 3.64Å; V128-V213 HydrophobicContact CB-CG1 3.96Å; V128-V213 HydrophobicContact CG2-CB 3.84Å; V128-V213 HydrophobicContact CG2-CG1 3.66Å; V128-W215 HydrophobicContact CB-CB 4.5Å; V128-W215 HydrophobicContact CG1-CB 3.6Å; V128-W215 HydrophobicContact CG1-CG 4.23Å
129	Y	93.6	Very high	88.2	Confident	101 Å²	101	81.4 Å²	81.4	40%	0.396	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	150.2	179.5	58	-88.8	0	0	0	112	V143	Y129-V143 HydrophobicContact CD2-CB 4.24Å; Y129-V143 HydrophobicContact CD2-CG2 4.46Å; Y129-V143 HydrophobicContact CE1-CB 4.36Å; Y129-V143 HydrophobicContact CE1-CG1 4.31Å; Y129-V143 HydrophobicContact CE2-CB 3.87Å; Y129-V143 HydrophobicContact CE2-CG1 4.22Å; Y129-V143 HydrophobicContact CE2-CG2 4.04Å; Y129-V143 PolarHBondContact N-O 3.21Å; Y129-V143 PolarHBondContact O-N 2.94Å
130	P	93.3	Very high	87.9	Confident	36 Å²	36	78.2 Å²	78.2	23%	0.234	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.7	173.2	31.4	-33.4	0	0	0	110.1	K132 L141 L142 W215	P130-K132 VanDerWaalsContact C-N 3.26Å; P130-K132 PolarHBondContact O-N 3.19Å; P130-L141 CarbonylContact C-O 3.52Å; P130-L141 WeakPolarHBondContact CA-O 3.44Å; P130-L142 HydrophobicContact CB-CD1 4.44Å; P130-W215 HydrophobicContact CG-CZ2 4.42Å
131	S	90.1	Very high	87.7	Confident	66 Å²	66	76 Å²	76	46%	0.462	39%	0.392	S	S	.	.	S	Bend	trans	-61.8	-35.7	176.4	174	0	0	0	0	112	L141	S131-L141 WeakPolarHBondContact CB-O 3.34Å; S131-L141 PolarHBondContact N-O 3.36Å
132	K	83.9	Confident	87.5	Confident	116 Å²	116	72.3 Å²	72.3	50%	0.504	37%	0.369	S	S	.	.	S	Bend	trans	-126	139.6	177.2	-57	179.6	-174.6	172.4	0	110.9	P130 Q134 N140	P130-K132 VanDerWaalsContact C-N 3.26Å; P130-K132 PolarHBondContact O-N 3.19Å; K132-Q134 HydrophobicContact CB-CG 3.99Å; K132-Q134 PolarHBondContact O-N 3.45Å; K132-N140 PolarHBondContact N-OD1 2.79Å; K132-N140 VanDerWaalsContact N-OD1 3.15Å; K132-N140 PolarHBondContact O-ND2 3.44Å
133	T	74.9	Confident	87.5	Confident	144 Å²	144	70.5 Å²	70.5	88%	0.883	36%	0.358	S	S	*	.			trans	-80.5	63.4	169.3	40	0	0	0	0	110.6
134	Q	69.1	Low	87.5	Confident	87 Å²	87	64.6 Å²	64.6	41%	0.407	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-97.3	155.1	177.5	-75.2	-173.3	15	0	0	112.4	K132	K132-Q134 HydrophobicContact CB-CG 3.99Å; K132-Q134 PolarHBondContact O-N 3.45Å
135	P	67.4	Low	87.5	Confident	74 Å²	74	64.7 Å²	64.7	48%	0.481	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-56.5	156.1	169.1	-20.7	31.4	0	0	0	112.4	T220	P135-T220 HydrophobicContact CB-CG2 4.09Å
136	L	66.8	Low	87.5	Confident	33 Å²	33	58.7 Å²	58.7	17%	0.173	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	157.4	172.5	-63.3	-179.5	0	0	0	111.9	H138 P192 A217 Q218	L136-H138 VanDerWaalsContact C-N 3.34Å; L136-P192 HydrophobicContact CD2-CB 3.8Å; L136-P192 HydrophobicContact CD2-CG 3.97Å; L136-A217 HydrophobicContact CD2-CB 4.03Å; L136-Q218 WeakPolarHBondContact CD1-O 3.24Å; L136-Q218 WeakPolarHBondContact CG-O 3.3Å
137	K	72.2	Confident	87.5	Confident	168 Å²	168	58.7 Å²	58.7	73%	0.73	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	17.3	-177.5	-48	179.5	178	-175.4	0	115.9	P192	K137-P192 PolarHBondContact N-O 3.33Å; K137-P192 VanDerWaalsContact N-O 3.13Å
138	H	78.4	Confident	87.5	Confident	101 Å²	101	57.9 Å²	57.9	47%	0.468	30%	0.3	S	S	.	.	S	Bend	trans	-116.3	150.8	168.6	-66.5	-30.4	0	0	0	110.9	L136 N140 P192	L136-H138 VanDerWaalsContact C-N 3.34Å; H138-N140 PolarHBondContact O-N 2.97Å; H138-P192 WeakPolarHBondContact O-CD 3.45Å
139	H	84.5	Confident	87.5	Confident	107 Å²	107	56.8 Å²	56.8	50%	0.495	29%	0.293	S	S	.	.			trans	-61.4	130	178.1	-174.2	-79.3	0	0	0	110.8
140	N	88.8	Confident	87.8	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.9	179.4	-152.8	-12.3	0	0	0	110.5	K132 H138 M190	K132-N140 PolarHBondContact N-OD1 2.79Å; K132-N140 VanDerWaalsContact N-OD1 3.15Å; K132-N140 PolarHBondContact O-ND2 3.44Å; H138-N140 PolarHBondContact O-N 2.97Å; N140-M190 HydrophobicContact CB-CE 4.31Å; N140-M190 PolarHBondContact N-O 3.28Å; N140-M190 PolarHBondContact O-N 2.99Å; N140-M190 VanDerWaalsContact O-O 3.12Å
141	L	92.6	Very high	88	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.246	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.6	170.2	-63.6	176.1	0	0	0	108.1	P130 S131 L188 E189	P130-L141 CarbonylContact C-O 3.52Å; P130-L141 WeakPolarHBondContact CA-O 3.44Å; S131-L141 WeakPolarHBondContact CB-O 3.34Å; S131-L141 PolarHBondContact N-O 3.36Å; L141-L188 WeakPolarHBondContact CA-O 3.42Å; L141-E189 HydrophobicContact CD2-CB 4.25Å; L141-E189 HydrophobicContact CD2-CG 3.37Å
142	L	95	Very high	88.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.1	167.9	-165.9	62.4	0	0	0	108.6	V128 P130 W158 M187 L188 M190 Y198 W215	V128-L142 HydrophobicContact CG1-CD1 3.85Å; V128-L142 HydrophobicContact CG1-CD2 4.1Å; V128-L142 HydrophobicContact CG1-CG 3.88Å; P130-L142 HydrophobicContact CB-CD1 4.44Å; L142-W158 HydrophobicContact CB-CH2 4.27Å; L142-W158 HydrophobicContact CB-CZ2 4.45Å; L142-W158 HydrophobicContact CD2-CE3 4.49Å; L142-W158 HydrophobicContact CD2-CH2 3.48Å; L142-W158 VanDerWaalsContact CD2-CH2 3.48Å; L142-W158 HydrophobicContact CD2-CZ2 4.39Å; L142-W158 HydrophobicContact CD2-CZ3 3.54Å; L142-W158 HydrophobicContact CG-CH2 3.59Å; L142-W158 HydrophobicContact CG-CZ2 4.19Å; L142-W158 HydrophobicContact CG-CZ3 4.19Å; L142-M187 CarbonylContact O-C 3.51Å; L142-M187 VanDerWaalsContact O-CA 3.28Å; L142-M187 WeakPolarHBondContact O-CA 3.32Å; L142-L188 PolarHBondContact N-O 3.02Å; L142-L188 PolarHBondContact O-N 2.81Å; L142-M190 HydrophobicContact CB-CE 3.74Å; L142-M190 HydrophobicContact CB-CG 4.41Å; L142-M190 HydrophobicContact CB-SD 4.03Å; L142-M190 HydrophobicContact CD1-CE 3.99Å; L142-M190 HydrophobicContact CD2-CE 4.49Å; L142-M190 HydrophobicContact CD2-SD 4.4Å; L142-M190 HydrophobicContact CG-CE 4.28Å; L142-Y198 VanDerWaalsContact CD2-CB 3.42Å; L142-Y198 HydrophobicContact CD2-CD1 4.26Å; L142-Y198 HydrophobicContact CD2-CD2 4.46Å; L142-Y198 HydrophobicContact CD2-CG 3.81Å; L142-W215 HydrophobicContact CD1-CB 4.25Å; L142-W215 HydrophobicContact CD1-CD2 3.64Å; L142-W215 HydrophobicContact CD1-CE3 3.98Å; L142-W215 HydrophobicContact CD1-CG 3.74Å; L142-W215 HydrophobicContact CD2-CB 4.16Å; L142-W215 HydrophobicContact CD2-CD2 4.23Å; L142-W215 HydrophobicContact CD2-CE3 3.93Å; L142-W215 HydrophobicContact CD2-CG 4.34Å
143	V	97.4	Very high	89	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	-175.2	-171.7	0	0	0	0	109	V128 Y129 L185 M187	V128-V143 VanDerWaalsContact CA-O 3.29Å; V128-V143 WeakPolarHBondContact CA-O 3.36Å; Y129-V143 HydrophobicContact CD2-CB 4.24Å; Y129-V143 HydrophobicContact CD2-CG2 4.46Å; Y129-V143 HydrophobicContact CE1-CB 4.36Å; Y129-V143 HydrophobicContact CE1-CG1 4.31Å; Y129-V143 HydrophobicContact CE2-CB 3.87Å; Y129-V143 HydrophobicContact CE2-CG1 4.22Å; Y129-V143 HydrophobicContact CE2-CG2 4.04Å; Y129-V143 PolarHBondContact N-O 3.21Å; Y129-V143 PolarHBondContact O-N 2.94Å; V143-L185 HydrophobicContact CG1-CB 4.29Å; V143-L185 HydrophobicContact CG1-CD2 4.14Å; V143-M187 HydrophobicContact CB-CG 4.47Å; V143-M187 HydrophobicContact CG1-CG 4.17Å; V143-M187 HydrophobicContact CG2-CG 4.13Å
144	C	98.3	Very high	90.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.7	161.9	-173.9	0	0	0	0	107.9	T127 V128 W158 L185 V186 C200	T127-C144 WeakPolarHBondContact O-CA 3.42Å; V128-C144 HydrophobicContact CG2-CB 4.29Å; C144-W158 HydrophobicContact CB-CH2 4.01Å; C144-W158 HydrophobicContact CB-CZ2 3.42Å; C144-W158 VanDerWaalsContact CB-CZ2 3.42Å; C144-L185 WeakPolarHBondContact O-CA 3.25Å; C144-V186 PolarHBondContact N-O 2.89Å; C144-V186 PolarHBondContact O-N 2.87Å; C144-C200 HydrophobicContact CB-CB 3.63Å; C144-C200 WeakPolarHBondContact CB-SG 3.42Å; C144-C200 WeakPolarHBondContact SG-CB 3.22Å; C144-C200 CovalentContact SG-SG 2.03Å; C144-C200 PolarHBondContact SG-SG 3.08Å
145	S	98.3	Very high	91.4	Very high	16 Å²	16	44.7 Å²	44.7	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.9	175.4	177.9	0	0	0	0	109.3	V126 T127 L185	V126-S145 WeakPolarHBondContact CA-O 3.32Å; T127-S145 PolarHBondContact N-O 3.11Å; T127-S145 PolarHBondContact O-N 2.75Å; T127-S145 WeakPolarHBondContact OG1-CB 3.43Å; S145-L185 VanDerWaalsContact CB-CD2 3.49Å; S145-L185 WeakPolarHBondContact OG-CD2 3.38Å
146	V	98.7	Very high	92.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.3	179.5	-172.6	0	0	0	0	107.1	P124 K125 F149 V156 Q183 L184 V202	P124-V146 HydrophobicContact CB-CG1 3.58Å; K125-V146 WeakPolarHBondContact O-CA 3.48Å; V146-F149 HydrophobicContact CB-CE1 4.37Å; V146-F149 HydrophobicContact CG1-CD1 3.84Å; V146-F149 HydrophobicContact CG1-CE1 3.83Å; V146-F149 WeakPolarHBondContact O-CE1 3.42Å; V146-V156 HydrophobicContact CG2-CG2 4Å; V146-Q183 CarbonylContact O-C 3.54Å; V146-Q183 VanDerWaalsContact O-CA 3.27Å; V146-Q183 WeakPolarHBondContact O-CA 3.34Å; V146-L184 HydrophobicContact CB-CG 4.38Å; V146-L184 PolarHBondContact N-O 2.91Å; V146-L184 PolarHBondContact O-N 2.93Å; V146-V202 HydrophobicContact CG1-CG1 4.04Å; V146-V202 HydrophobicContact CG2-CG2 3.77Å
147	S	98.3	Very high	94.4	Very high	24 Å²	24	43.8 Å²	43.8	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	166.8	-171.7	72.2	0	0	0	0	113.1	P124 K125 F149	P124-S147 WeakPolarHBondContact CA-O 3.41Å; K125-S147 PolarHBondContact N-O 2.85Å; K125-S147 PolarHBondContact O-N 2.82Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.07Å
148	D	97.9	Very high	95.6	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.8	29.5	172.4	-54.4	-18.7	0	0	0	115.1	V122 K125 F182	V122-D148 WeakPolarHBondContact CG1-O 3.48Å; K125-D148 HydrophobicContact CD-CB 4.39Å; K125-D148 WeakPolarHBondContact CD-OD2 3.49Å; K125-D148 WeakPolarHBondContact CE-OD2 3.04Å; K125-D148 IonicContact NZ-OD2 3.88Å; K125-D148 PolarHBondContact NZ-OD2 3.49Å; D148-F182 PolarHBondContact N-O 3.24Å; D148-F182 VanDerWaalsContact N-O 3.14Å
149	F	98.6	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	158.9	-178.3	65.8	-87.2	0	0	0	113.6	V122 P124 V146 S147 P151 V154 L174 T181 F182 L184 H204	V122-F149 WeakPolarHBondContact O-CA 3.43Å; P124-F149 HydrophobicContact CB-CB 3.76Å; P124-F149 HydrophobicContact CB-CD1 4.18Å; P124-F149 HydrophobicContact CB-CG 4.22Å; P124-F149 HydrophobicContact CG-CB 4.5Å; V146-F149 HydrophobicContact CB-CE1 4.37Å; V146-F149 HydrophobicContact CG1-CD1 3.84Å; V146-F149 HydrophobicContact CG1-CE1 3.83Å; V146-F149 WeakPolarHBondContact O-CE1 3.42Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.07Å; F149-P151 WeakPolarHBondContact CD2-O 3.39Å; F149-V154 HydrophobicContact CD2-CB 4.41Å; F149-V154 HydrophobicContact CE2-CB 3.85Å; F149-V154 HydrophobicContact CE2-CG1 3.57Å; F149-V154 HydrophobicContact CZ-CB 4.26Å; F149-V154 HydrophobicContact CZ-CG1 3.62Å; F149-L174 HydrophobicContact CE2-CD1 3.91Å; F149-L174 HydrophobicContact CZ-CD1 3.65Å; F149-T181 CarbonylContact O-C 3.58Å; F149-T181 WeakPolarHBondContact O-CA 3.24Å; F149-F182 VanDerWaalsContact CD1-O 3.3Å; F149-F182 WeakPolarHBondContact CD1-O 3.28Å; F149-F182 HydrophobicContact CD2-CB 4.27Å; F149-F182 HydrophobicContact CE1-CB 4.21Å; F149-F182 WeakPolarHBondContact CE1-O 3.43Å; F149-F182 HydrophobicContact CE2-CB 3.77Å; F149-F182 HydrophobicContact CZ-CB 3.72Å; F149-F182 PolarHBondContact N-O 2.7Å; F149-F182 PolarHBondContact O-N 3.09Å; F149-L184 HydrophobicContact CZ-CD2 4Å; F149-L184 HydrophobicContact CZ-CG 4.49Å; F149-H204 AromaticContact CD2-CD2 3.82Å; F149-H204 AromaticContact CD2-NE2 3.7Å
150	Y	98.5	Very high	97	Very high	40 Å²	40	30.9 Å²	30.9	16%	0.157	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-156.3	140.4	173.4	-174.2	-83.8	0	0	0	109.3	R120 T121 V122 W180 F182 H204	R120-Y150 HydrophobicContact CB-CD1 4.03Å; R120-Y150 HydrophobicContact CB-CE1 3.9Å; R120-Y150 HydrophobicContact CG-CD1 3.77Å; R120-Y150 HydrophobicContact CG-CE1 4.04Å; R120-Y150 VanDerWaalsContact O-CD1 3.3Å; R120-Y150 WeakPolarHBondContact O-CD1 3.27Å; T121-Y150 CarbonylContact C-O 3.56Å; T121-Y150 VanDerWaalsContact CA-O 3.24Å; T121-Y150 WeakPolarHBondContact CA-O 3.19Å; V122-Y150 PolarHBondContact N-O 3.4Å; V122-Y150 PolarHBondContact O-N 3Å; Y150-W180 WeakPolarHBondContact CB-O 3.48Å; Y150-W180 WeakPolarHBondContact CD2-O 3.31Å; Y150-W180 HydrophobicContact CE2-CE3 4.15Å; Y150-F182 HydrophobicContact CD2-CD2 4.06Å; Y150-F182 AromaticContact CD2-CE2 3.61Å; Y150-F182 HydrophobicContact CD2-CE2 3.61Å; Y150-F182 AromaticContact CE2-CE2 3.86Å; Y150-F182 HydrophobicContact CE2-CE2 3.86Å; Y150-H204 PolarHBondContact O-CE1 2.85Å; Y150-H204 PolarHBondContact O-NE2 2.82Å
151	P	98.1	Very high	97.3	Very high	35 Å²	35	35.3 Å²	35.3	23%	0.227	19%	0.189	C	C	.	.	S	Bend	cis	-73.5	-178.1	2.2	32.6	-37.8	0	0	0	113.1	F149 S153 H204 P205	F149-P151 WeakPolarHBondContact CD2-O 3.39Å; P151-S153 PolarHBondContact O-N 2.96Å; P151-H204 PolarHBondContact O-NE2 3.27Å; P151-P205 HydrophobicContact CG-CG 4.44Å
152	G	97.6	Very high	97.3	Very high	20 Å²	20	36 Å²	36	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	-71.9	-10.8	-178	0	0	0	0	0	115.3	V154 L174	G152-V154 PolarHBondContact O-N 3.37Å; G152-L174 WeakPolarHBondContact O-CD1 3.29Å
153	S	96.9	Very high	97.3	Very high	69 Å²	69	43.3 Å²	43.3	48%	0.483	24%	0.241	S	C	.	.			trans	-75.7	109.5	179.3	58.1	0	0	0	0	110.6	P151 H204 P205	P151-S153 PolarHBondContact O-N 2.96Å; S153-H204 PolarHBondContact O-CD2 3.17Å; S153-P205 VanDerWaalsContact O-CD 3.24Å; S153-P205 WeakPolarHBondContact O-CD 3.42Å
154	V	98.1	Very high	97.3	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	26%	0.257	C	S	.	.			trans	-145.3	145.5	-178.4	60.3	0	0	0	0	109.3	F149 G152 V156 L184 V202 E203 H204	F149-V154 HydrophobicContact CD2-CB 4.41Å; F149-V154 HydrophobicContact CE2-CB 3.85Å; F149-V154 HydrophobicContact CE2-CG1 3.57Å; F149-V154 HydrophobicContact CZ-CB 4.26Å; F149-V154 HydrophobicContact CZ-CG1 3.62Å; G152-V154 PolarHBondContact O-N 3.37Å; V154-V156 HydrophobicContact CG2-CG2 4.05Å; V154-L184 HydrophobicContact CG1-CD2 3.33Å; V154-V202 HydrophobicContact CG2-CG1 3.84Å; V154-E203 WeakPolarHBondContact CA-O 3.47Å; V154-E203 WeakPolarHBondContact CG2-O 3.46Å; V154-H204 HydrophobicContact CG2-CB 4.37Å
155	E	98.1	Very high	97.1	Very high	96 Å²	96	49 Å²	49	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.4	172.9	-175.1	-179.7	158.8	0	0	109.2	R157 V202 E203	E155-R157 HydrophobicContact CG-CG 4.37Å; E155-R157 WeakPolarHBondContact OE1-CD 3.18Å; E155-R157 IonicContact OE1-CZ 3.77Å; E155-R157 IonicContact OE1-NE 3.35Å; E155-R157 PolarHBondContact OE1-NE 3Å; E155-V202 WeakPolarHBondContact O-CA 3.5Å; E155-E203 HydrophobicContact CB-CB 4.24Å; E155-E203 PolarHBondContact N-O 3.45Å; E155-E203 PolarHBondContact O-N 2.98Å
156	V	98.3	Very high	96.9	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.158	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.8	-178.5	-177.4	0	0	0	0	108.9	V146 V154 L184 V186 C200 Q201 V202	V146-V156 HydrophobicContact CG2-CG2 4Å; V154-V156 HydrophobicContact CG2-CG2 4.05Å; V156-L184 HydrophobicContact CG2-CD1 4.06Å; V156-V186 HydrophobicContact CB-CG2 3.76Å; V156-V186 HydrophobicContact CG1-CB 3.95Å; V156-V186 HydrophobicContact CG1-CG2 3.64Å; V156-V186 HydrophobicContact CG2-CG2 4.35Å; V156-C200 VanDerWaalsContact CG1-SG 3.58Å; V156-Q201 WeakPolarHBondContact CA-O 3.37Å; V156-V202 HydrophobicContact CG1-CG2 4.31Å; V156-V202 HydrophobicContact CG2-CG1 4.4Å; V156-V202 HydrophobicContact CG2-CG2 4.19Å
157	R	98.1	Very high	96.6	Very high	62 Å²	62	61.6 Å²	61.6	23%	0.234	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.7	-177.1	-67.1	-172.5	-80.5	176.4	-13.3	111	E155 F159 E164 Q201 E203	E155-R157 HydrophobicContact CG-CG 4.37Å; E155-R157 WeakPolarHBondContact OE1-CD 3.18Å; E155-R157 IonicContact OE1-CZ 3.77Å; E155-R157 IonicContact OE1-NE 3.35Å; E155-R157 PolarHBondContact OE1-NE 3Å; R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 4.41Å; R157-E164 IonicContact NH1-OE2 3.78Å; R157-Q201 PolarHBondContact N-O 2.88Å; R157-Q201 PolarHBondContact O-N 3.21Å; R157-E203 IonicContact CZ-OE1 3.93Å; R157-E203 IonicContact NE-OE1 2.8Å; R157-E203 IonicContact NH2-OE1 3.15Å; R157-E203 PolarHBondContact NH2-OE1 2.92Å; R157-E203 IonicContact NH2-OE2 3.31Å
158	W	98.1	Very high	96.2	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.8	173.6	-85.4	110.3	0	0	0	110.6	V128 L142 C144 E164 E165 V186 L188 C200	V128-W158 HydrophobicContact CG1-CH2 3.7Å; V128-W158 HydrophobicContact CG1-CZ3 4.35Å; V128-W158 HydrophobicContact CG2-CH2 4.16Å; L142-W158 HydrophobicContact CB-CH2 4.27Å; L142-W158 HydrophobicContact CB-CZ2 4.45Å; L142-W158 HydrophobicContact CD2-CE3 4.49Å; L142-W158 HydrophobicContact CD2-CH2 3.48Å; L142-W158 VanDerWaalsContact CD2-CH2 3.48Å; L142-W158 HydrophobicContact CD2-CZ2 4.39Å; L142-W158 HydrophobicContact CD2-CZ3 3.54Å; L142-W158 HydrophobicContact CG-CH2 3.59Å; L142-W158 HydrophobicContact CG-CZ2 4.19Å; L142-W158 HydrophobicContact CG-CZ3 4.19Å; C144-W158 HydrophobicContact CB-CH2 4.01Å; C144-W158 HydrophobicContact CB-CZ2 3.42Å; C144-W158 VanDerWaalsContact CB-CZ2 3.42Å; W158-E164 WeakPolarHBondContact O-CA 3.38Å; W158-E165 HydrophobicContact CB-CB 4.27Å; W158-E165 PolarHBondContact O-N 3.35Å; W158-V186 PolarHBondContact NE1-O 2.86Å; W158-L188 HydrophobicContact CB-CD2 4.4Å; W158-L188 HydrophobicContact CD2-CB 4.18Å; W158-L188 HydrophobicContact CD2-CD2 4.28Å; W158-L188 HydrophobicContact CE3-CD2 4.38Å; W158-L188 HydrophobicContact CG-CB 4.17Å; W158-L188 HydrophobicContact CG-CD2 4.32Å; W158-C200 HydrophobicContact CE3-CB 4.22Å; W158-C200 HydrophobicContact CH2-CB 3.95Å; W158-C200 HydrophobicContact CZ2-CB 4.31Å; W158-C200 HydrophobicContact CZ3-CB 3.9Å
159	F	97.3	Very high	96	Very high	31 Å²	31	62.1 Å²	62.1	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.8	172	-62.8	-101.1	0	0	0	110	R157 E163 E164 Y198 T199 Q201	R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 4.41Å; F159-E163 CarbonylContact C-O 3.44Å; F159-E163 WeakPolarHBondContact CA-O 3.48Å; F159-E164 HydrophobicContact CD1-CB 4.01Å; F159-E164 HydrophobicContact CE1-CB 3.75Å; F159-E164 HydrophobicContact CE1-CG 4.21Å; F159-E164 HydrophobicContact CZ-CB 4.33Å; F159-E164 HydrophobicContact CZ-CG 4.29Å; F159-Y198 CarbonylContact O-C 3.46Å; F159-Y198 VanDerWaalsContact O-CA 3.3Å; F159-Y198 WeakPolarHBondContact O-CA 3.35Å; F159-T199 PolarHBondContact N-O 3.15Å; F159-T199 PolarHBondContact O-N 3.01Å; F159-Q201 HydrophobicContact CD2-CB 4.18Å; F159-Q201 HydrophobicContact CE2-CB 3.73Å; F159-Q201 HydrophobicContact CE2-CG 4.49Å
160	R	94.8	Very high	95.9	Very high	73 Å²	73	65.3 Å²	65.3	28%	0.275	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.9	171.2	-177.2	-175	-174.8	175.6	1.1	108.6	G162 E163 E165 E196 Y198	R160-G162 PolarHBondContact O-N 2.92Å; R160-E163 PolarHBondContact N-O 3.38Å; R160-E163 PolarHBondContact O-N 3.48Å; R160-E165 HydrophobicContact CB-CG 3.54Å; R160-E165 WeakPolarHBondContact CB-OE1 3.32Å; R160-E165 WeakPolarHBondContact CD-OE1 3.28Å; R160-E165 IonicContact NH1-OE1 3.4Å; R160-E196 IonicContact CZ-OE1 2.85Å; R160-E196 VanDerWaalsContact CZ-OE1 3.31Å; R160-E196 IonicContact NE-OE1 2.68Å; R160-E196 PolarHBondContact NE-OE1 2.84Å; R160-E196 VanDerWaalsContact NE-OE1 3.16Å; R160-E196 IonicContact NH2-OE1 3.8Å; R160-E196 PolarHBondContact NH2-OE1 3.05Å; R160-E196 IonicContact NH2-OE2 3.66Å; R160-Y198 HydrophobicContact CB-CD1 4.24Å; R160-Y198 HydrophobicContact CB-CE1 4.22Å; R160-Y198 HydrophobicContact CG-CD1 4.17Å; R160-Y198 HydrophobicContact CG-CE1 3.78Å; R160-Y198 PolarHBondContact NE-OH 3.23Å
161	N	93.8	Very high	95.7	Very high	101 Å²	101	66.7 Å²	66.7	54%	0.54	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	28.7	-176.7	-56.2	-34.1	0	0	0	113.9	V197	N161-V197 PolarHBondContact N-O 3.26Å; N161-V197 PolarHBondContact OD1-N 3.39Å
162	G	92.9	Very high	95.6	Very high	61 Å²	61	68.1 Å²	68.1	63%	0.629	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-9.6	180	0	0	0	0	0	115.3	R160	R160-G162 PolarHBondContact O-N 2.92Å
163	E	95.9	Very high	95.6	Very high	154 Å²	154	68.8 Å²	68.8	72%	0.72	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.7	175.6	-64.1	-175.7	172.3	0	0	110.6	F159 R160 E165	F159-E163 CarbonylContact C-O 3.44Å; F159-E163 WeakPolarHBondContact CA-O 3.48Å; R160-E163 PolarHBondContact N-O 3.38Å; R160-E163 PolarHBondContact O-N 3.48Å; E163-E165 PolarHBondContact O-N 3Å
164	E	96.8	Very high	95.6	Very high	80 Å²	80	69.4 Å²	69.4	37%	0.374	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.5	-179	-170.3	-179.5	147	0	0	110.6	R157 W158 F159 K166	R157-E164 IonicContact NH1-OE2 3.78Å; W158-E164 WeakPolarHBondContact O-CA 3.38Å; F159-E164 HydrophobicContact CD1-CB 4.01Å; F159-E164 HydrophobicContact CE1-CB 3.75Å; F159-E164 HydrophobicContact CE1-CG 4.21Å; F159-E164 HydrophobicContact CZ-CB 4.33Å; F159-E164 HydrophobicContact CZ-CG 4.29Å; E164-K166 WeakPolarHBondContact OE1-CE 3.47Å; E164-K166 IonicContact OE1-NZ 3.18Å
165	E	94.9	Very high	95.6	Very high	47 Å²	47	70.8 Å²	70.8	22%	0.22	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.8	178.4	-72.6	-72.9	-169.1	0	0	110.3	W158 R160 E163 L169 L188	W158-E165 HydrophobicContact CB-CB 4.27Å; W158-E165 PolarHBondContact O-N 3.35Å; R160-E165 HydrophobicContact CB-CG 3.54Å; R160-E165 WeakPolarHBondContact CB-OE1 3.32Å; R160-E165 WeakPolarHBondContact CD-OE1 3.28Å; R160-E165 IonicContact NH1-OE1 3.4Å; E163-E165 PolarHBondContact O-N 3Å; E165-L169 VanDerWaalsContact O-CD1 3.29Å; E165-L169 WeakPolarHBondContact O-CD1 3.43Å; E165-L188 HydrophobicContact CB-CD1 4.29Å
166	K	93.1	Very high	95.6	Very high	148 Å²	148	70.6 Å²	70.6	64%	0.643	40%	0.395	S	S	*	.			trans	-119.1	-23.7	178.9	-65.3	-175.3	179.4	-180	0	113	E164	E164-K166 WeakPolarHBondContact OE1-CE 3.47Å; E164-K166 IonicContact OE1-NZ 3.18Å
167	D	92.9	Very high	95.6	Very high	133 Å²	133	71.9 Å²	71.9	71%	0.711	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	143.6	-179.2	-64.6	-28.3	0	0	0	110.8	L169	D167-L169 PolarHBondContact O-N 2.8Å
168	G	89.1	Confident	95.5	Very high	31 Å²	31	72.8 Å²	72.8	32%	0.32	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	16.4	178.4	0	0	0	0	0	114.8	E189	G168-E189 PolarHBondContact O-N 2.68Å
169	L	94.8	Very high	95.5	Very high	60 Å²	60	77.1 Å²	77.1	31%	0.314	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.1	173	-89.1	78.5	0	0	0	111.6	E165 D167 V186 M187 L188	E165-L169 VanDerWaalsContact O-CD1 3.29Å; E165-L169 WeakPolarHBondContact O-CD1 3.43Å; D167-L169 PolarHBondContact O-N 2.8Å; L169-V186 HydrophobicContact CD2-CG1 3.91Å; L169-V186 HydrophobicContact CG-CG1 4.38Å; L169-M187 CarbonylContact C-O 3.57Å; L169-M187 WeakPolarHBondContact CA-O 3.43Å; L169-L188 HydrophobicContact CD1-CD1 3.66Å; L169-L188 HydrophobicContact CG-CD1 4.49Å
170	V	95.1	Very high	95.4	Very high	67 Å²	67	83 Å²	83	41%	0.406	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.4	173.1	-176	0	0	0	0	109	M187	V170-M187 HydrophobicContact CB-CB 4.43Å; V170-M187 HydrophobicContact CB-CE 4.1Å; V170-M187 HydrophobicContact CG1-CE 3.78Å; V170-M187 PolarHBondContact N-O 3.39Å; V170-M187 PolarHBondContact O-N 2.8Å
171	S	96.2	Very high	95.6	Very high	69 Å²	69	80.2 Å²	80.2	48%	0.483	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.6	175.9	-176.5	0	0	0	0	111.5	G173 L185	S171-G173 PolarHBondContact O-N 3.23Å; S171-G173 PolarHBondContact OG-N 3Å; S171-G173 VanDerWaalsContact OG-N 3.11Å; S171-L185 VanDerWaalsContact CA-O 3.31Å; S171-L185 WeakPolarHBondContact CA-O 3.5Å; S171-L185 PolarHBondContact OG-O 2.8Å
172	T	95.8	Very high	95.8	Very high	64 Å²	64	77.5 Å²	77.5	39%	0.393	45%	0.448	S	S	.	.			trans	-72.7	-13.1	168.9	55.7	0	0	0	0	113.2	L185 M187	T172-L185 HydrophobicContact CG2-CB 3.82Å; T172-L185 HydrophobicContact CG2-CD1 4.08Å; T172-L185 HydrophobicContact CG2-CG 4.09Å; T172-L185 PolarHBondContact N-O 2.88Å; T172-L185 VanDerWaalsContact N-O 3.11Å; T172-L185 PolarHBondContact OG1-N 2.81Å; T172-M187 HydrophobicContact CG2-CE 4.35Å
173	G	96.3	Very high	96.1	Very high	35 Å²	35	78 Å²	78	36%	0.361	43%	0.434	S	S	.	.			trans	71.5	176.8	-160.8	0	0	0	0	0	112.1	S171 L184	S171-G173 PolarHBondContact O-N 3.23Å; S171-G173 PolarHBondContact OG-N 3Å; S171-G173 VanDerWaalsContact OG-N 3.11Å; G173-L184 VanDerWaalsContact O-CB 3.31Å; G173-L184 WeakPolarHBondContact O-CB 3.46Å
174	L	97.8	Very high	96.2	Very high	82 Å²	82	71.3 Å²	71.3	43%	0.429	40%	0.403	S	S	.	.			trans	-74.6	125.6	-179.5	-171.6	73	0	0	0	110.9	F149 G152 F182 L184	F149-L174 HydrophobicContact CE2-CD1 3.91Å; F149-L174 HydrophobicContact CZ-CD1 3.65Å; G152-L174 WeakPolarHBondContact O-CD1 3.29Å; L174-F182 HydrophobicContact CD1-CB 3.62Å; L174-F182 HydrophobicContact CD1-CD1 3.9Å; L174-F182 HydrophobicContact CD1-CG 3.9Å; L174-F182 HydrophobicContact CD2-CD1 3.64Å; L174-F182 HydrophobicContact CD2-CE1 3.78Å; L174-F182 HydrophobicContact CD2-CG 4.24Å; L174-F182 HydrophobicContact CD2-CZ 4.5Å; L174-F182 HydrophobicContact CG-CB 4.26Å; L174-F182 HydrophobicContact CG-CD1 3.59Å; L174-F182 HydrophobicContact CG-CE1 4.22Å; L174-F182 HydrophobicContact CG-CG 4.13Å; L174-L184 HydrophobicContact CD1-CD2 4.37Å
175	I	98.1	Very high	96.2	Very high	65 Å²	65	69.6 Å²	69.6	33%	0.333	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.1	-179.6	-56.9	169.2	0	0	0	109.2	F182 Q183	I175-F182 WeakPolarHBondContact O-CA 3.36Å; I175-Q183 HydrophobicContact CB-CG 3.87Å; I175-Q183 WeakPolarHBondContact CB-O 3.17Å; I175-Q183 HydrophobicContact CD1-CG 4.46Å; I175-Q183 HydrophobicContact CG2-CG 4.22Å; I175-Q183 PolarHBondContact N-O 3.49Å; I175-Q183 PolarHBondContact O-N 2.87Å
176	P	97.9	Very high	96.4	Very high	93 Å²	93	67.9 Å²	67.9	60%	0.604	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.6	172.7	29.4	-31.3	0	0	0	111.2	F182	P176-F182 HydrophobicContact CB-CD1 4.12Å; P176-F182 HydrophobicContact CB-CE1 3.93Å
177	N	97.7	Very high	96.6	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.283	37%	0.367	S	S	.	.			trans	-83.7	-16.8	-178.3	-67.5	-25.8	0	0	0	113.9	D179 T181 Q183	N177-D179 VanDerWaalsContact CB-OD1 3.24Å; N177-D179 WeakPolarHBondContact CB-OD1 3.31Å; N177-T181 WeakPolarHBondContact CB-O 3.37Å; N177-T181 PolarHBondContact N-O 2.92Å; N177-T181 PolarHBondContact ND2-OG1 2.03Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.38Å; N177-Q183 PolarHBondContact OD1-NE2 3.26Å
178	G	96.7	Very high	96.8	Very high	80 Å²	80	56.4 Å²	56.4	83%	0.825	33%	0.334	S	S	*	.	S	Bend	trans	86.8	0.8	-176.3	0	0	0	0	0	114.7
179	D	97.1	Very high	97	Very high	92 Å²	92	59.6 Å²	59.6	49%	0.492	34%	0.341	S	S	.	.	S	Bend	trans	-118.2	23.9	-179.2	68	-7.9	0	0	0	113.1	N177 T181	N177-D179 VanDerWaalsContact CB-OD1 3.24Å; N177-D179 WeakPolarHBondContact CB-OD1 3.31Å; D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 2.98Å; D179-T181 WeakPolarHBondContact OD1-CB 3.07Å; D179-T181 PolarHBondContact OD1-N 3.46Å; D179-T181 VanDerWaalsContact OD1-N 3.07Å; D179-T181 PolarHBondContact OD1-OG1 3.01Å
180	W	96.2	Very high	96.8	Very high	154 Å²	154	57.2 Å²	57.2	58%	0.583	33%	0.328	S	S	*	.	S	Bend	trans	65.3	26.7	-173	-55.6	81.4	0	0	0	114.6	L117 Y150	L117-W180 HydrophobicContact CD1-CE3 3.73Å; L117-W180 HydrophobicContact CD1-CH2 3.98Å; L117-W180 HydrophobicContact CD1-CZ3 3.27Å; L117-W180 HydrophobicContact CD2-CH2 4.03Å; L117-W180 HydrophobicContact CD2-CZ3 3.98Å; L117-W180 HydrophobicContact CG-CZ3 4.27Å; Y150-W180 WeakPolarHBondContact CB-O 3.48Å; Y150-W180 WeakPolarHBondContact CD2-O 3.31Å; Y150-W180 HydrophobicContact CE2-CE3 4.15Å
181	T	98.2	Very high	96.5	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.098	33%	0.328	C	S	.	.			trans	-126	163.4	166.4	71	0	0	0	0	111.5	F149 N177 D179	F149-T181 CarbonylContact O-C 3.58Å; F149-T181 WeakPolarHBondContact O-CA 3.24Å; N177-T181 WeakPolarHBondContact CB-O 3.37Å; N177-T181 PolarHBondContact N-O 2.92Å; N177-T181 PolarHBondContact ND2-OG1 2.03Å; D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 2.98Å; D179-T181 WeakPolarHBondContact OD1-CB 3.07Å; D179-T181 PolarHBondContact OD1-N 3.46Å; D179-T181 VanDerWaalsContact OD1-N 3.07Å; D179-T181 PolarHBondContact OD1-OG1 3.01Å
182	F	98.6	Very high	95.9	Very high	43 Å²	43	54.2 Å²	54.2	19%	0.189	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160.9	175.8	-62.5	-86.6	0	0	0	110.9	D148 F149 Y150 L174 I175 P176	D148-F182 PolarHBondContact N-O 3.24Å; D148-F182 VanDerWaalsContact N-O 3.14Å; F149-F182 VanDerWaalsContact CD1-O 3.3Å; F149-F182 WeakPolarHBondContact CD1-O 3.28Å; F149-F182 HydrophobicContact CD2-CB 4.27Å; F149-F182 HydrophobicContact CE1-CB 4.21Å; F149-F182 WeakPolarHBondContact CE1-O 3.43Å; F149-F182 HydrophobicContact CE2-CB 3.77Å; F149-F182 HydrophobicContact CZ-CB 3.72Å; F149-F182 PolarHBondContact N-O 2.7Å; F149-F182 PolarHBondContact O-N 3.09Å; Y150-F182 HydrophobicContact CD2-CD2 4.06Å; Y150-F182 AromaticContact CD2-CE2 3.61Å; Y150-F182 HydrophobicContact CD2-CE2 3.61Å; Y150-F182 AromaticContact CE2-CE2 3.86Å; Y150-F182 HydrophobicContact CE2-CE2 3.86Å; L174-F182 HydrophobicContact CD1-CB 3.62Å; L174-F182 HydrophobicContact CD1-CD1 3.9Å; L174-F182 HydrophobicContact CD1-CG 3.9Å; L174-F182 HydrophobicContact CD2-CD1 3.64Å; L174-F182 HydrophobicContact CD2-CE1 3.78Å; L174-F182 HydrophobicContact CD2-CG 4.24Å; L174-F182 HydrophobicContact CD2-CZ 4.5Å; L174-F182 HydrophobicContact CG-CB 4.26Å; L174-F182 HydrophobicContact CG-CD1 3.59Å; L174-F182 HydrophobicContact CG-CE1 4.22Å; L174-F182 HydrophobicContact CG-CG 4.13Å; I175-F182 WeakPolarHBondContact O-CA 3.36Å; P176-F182 HydrophobicContact CB-CD1 4.12Å; P176-F182 HydrophobicContact CB-CE1 3.93Å
183	Q	98.4	Very high	95.3	Very high	72 Å²	72	56.6 Å²	56.6	34%	0.336	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.7	168.5	65.3	-178	-45.8	0	0	110.8	V146 I175 N177	V146-Q183 CarbonylContact O-C 3.54Å; V146-Q183 VanDerWaalsContact O-CA 3.27Å; V146-Q183 WeakPolarHBondContact O-CA 3.34Å; I175-Q183 HydrophobicContact CB-CG 3.87Å; I175-Q183 WeakPolarHBondContact CB-O 3.17Å; I175-Q183 HydrophobicContact CD1-CG 4.46Å; I175-Q183 HydrophobicContact CG2-CG 4.22Å; I175-Q183 PolarHBondContact N-O 3.49Å; I175-Q183 PolarHBondContact O-N 2.87Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.38Å; N177-Q183 PolarHBondContact OD1-NE2 3.26Å
184	L	98.4	Very high	94.6	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.3	168.5	68.7	91.4	0	0	0	110.4	V146 F149 V154 V156 G173 L174 V186	V146-L184 HydrophobicContact CB-CG 4.38Å; V146-L184 PolarHBondContact N-O 2.91Å; V146-L184 PolarHBondContact O-N 2.93Å; F149-L184 HydrophobicContact CZ-CD2 4Å; F149-L184 HydrophobicContact CZ-CG 4.49Å; V154-L184 HydrophobicContact CG1-CD2 3.33Å; V156-L184 HydrophobicContact CG2-CD1 4.06Å; G173-L184 VanDerWaalsContact O-CB 3.31Å; G173-L184 WeakPolarHBondContact O-CB 3.46Å; L174-L184 HydrophobicContact CD1-CD2 4.37Å; L184-V186 HydrophobicContact CD1-CG2 3.42Å; L184-V186 VanDerWaalsContact CD1-CG2 3.42Å
185	L	98.1	Very high	94	Very high	45 Å²	45	56.9 Å²	56.9	24%	0.236	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.1	170.8	-51.3	177	0	0	0	109	V143 C144 S145 S171 T172	V143-L185 HydrophobicContact CG1-CB 4.29Å; V143-L185 HydrophobicContact CG1-CD2 4.14Å; C144-L185 WeakPolarHBondContact O-CA 3.25Å; S145-L185 VanDerWaalsContact CB-CD2 3.49Å; S145-L185 WeakPolarHBondContact OG-CD2 3.38Å; S171-L185 VanDerWaalsContact CA-O 3.31Å; S171-L185 WeakPolarHBondContact CA-O 3.5Å; S171-L185 PolarHBondContact OG-O 2.8Å; T172-L185 HydrophobicContact CG2-CB 3.82Å; T172-L185 HydrophobicContact CG2-CD1 4.08Å; T172-L185 HydrophobicContact CG2-CG 4.09Å; T172-L185 PolarHBondContact N-O 2.88Å; T172-L185 VanDerWaalsContact N-O 3.11Å; T172-L185 PolarHBondContact OG1-N 2.81Å
186	V	98.1	Very high	93.6	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116	165.9	-172.6	0	0	0	0	108.6	C144 V156 W158 L169 L184	C144-V186 PolarHBondContact N-O 2.89Å; C144-V186 PolarHBondContact O-N 2.87Å; V156-V186 HydrophobicContact CB-CG2 3.76Å; V156-V186 HydrophobicContact CG1-CB 3.95Å; V156-V186 HydrophobicContact CG1-CG2 3.64Å; V156-V186 HydrophobicContact CG2-CG2 4.35Å; W158-V186 PolarHBondContact NE1-O 2.86Å; L169-V186 HydrophobicContact CD2-CG1 3.91Å; L169-V186 HydrophobicContact CG-CG1 4.38Å; L184-V186 HydrophobicContact CD1-CG2 3.42Å; L184-V186 VanDerWaalsContact CD1-CG2 3.42Å
187	M	97.1	Very high	93.4	Very high	35 Å²	35	51.9 Å²	51.9	17%	0.172	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	-174.1	-59.9	168.1	-78.9	0	0	109.3	L142 V143 L169 V170 T172	L142-M187 CarbonylContact O-C 3.51Å; L142-M187 VanDerWaalsContact O-CA 3.28Å; L142-M187 WeakPolarHBondContact O-CA 3.32Å; V143-M187 HydrophobicContact CB-CG 4.47Å; V143-M187 HydrophobicContact CG1-CG 4.17Å; V143-M187 HydrophobicContact CG2-CG 4.13Å; L169-M187 CarbonylContact C-O 3.57Å; L169-M187 WeakPolarHBondContact CA-O 3.43Å; V170-M187 HydrophobicContact CB-CB 4.43Å; V170-M187 HydrophobicContact CB-CE 4.1Å; V170-M187 HydrophobicContact CG1-CE 3.78Å; V170-M187 PolarHBondContact N-O 3.39Å; V170-M187 PolarHBondContact O-N 2.8Å; T172-M187 HydrophobicContact CG2-CE 4.35Å
188	L	96.6	Very high	93.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	174.8	176.2	66.3	0	0	0	109.5	L141 L142 W158 E165 L169 M190 Y198	L141-L188 WeakPolarHBondContact CA-O 3.42Å; L142-L188 PolarHBondContact N-O 3.02Å; L142-L188 PolarHBondContact O-N 2.81Å; W158-L188 HydrophobicContact CB-CD2 4.4Å; W158-L188 HydrophobicContact CD2-CB 4.18Å; W158-L188 HydrophobicContact CD2-CD2 4.28Å; W158-L188 HydrophobicContact CE3-CD2 4.38Å; W158-L188 HydrophobicContact CG-CB 4.17Å; W158-L188 HydrophobicContact CG-CD2 4.32Å; E165-L188 HydrophobicContact CB-CD1 4.29Å; L169-L188 HydrophobicContact CD1-CD1 3.66Å; L169-L188 HydrophobicContact CG-CD1 4.49Å; L188-M190 PolarHBondContact O-N 3.15Å; L188-Y198 HydrophobicContact CD2-CD1 3.68Å; L188-Y198 HydrophobicContact CD2-CE1 3.93Å
189	E	94.2	Very high	93.3	Very high	98 Å²	98	46.4 Å²	46.4	46%	0.458	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.8	167.3	-75	179.5	-176.5	0	0	110.3	L141 G168	L141-E189 HydrophobicContact CD2-CB 4.25Å; L141-E189 HydrophobicContact CD2-CG 3.37Å; G168-E189 PolarHBondContact O-N 2.68Å
190	M	89.6	Confident	93.4	Very high	10 Å²	10	42 Å²	42	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.7	-177.7	63	157.2	-172.4	0	0	113.2	N140 L142 L188 P192 Y198 W215	N140-M190 HydrophobicContact CB-CE 4.31Å; N140-M190 PolarHBondContact N-O 3.28Å; N140-M190 PolarHBondContact O-N 2.99Å; N140-M190 VanDerWaalsContact O-O 3.12Å; L142-M190 HydrophobicContact CB-CE 3.74Å; L142-M190 HydrophobicContact CB-CG 4.41Å; L142-M190 HydrophobicContact CB-SD 4.03Å; L142-M190 HydrophobicContact CD1-CE 3.99Å; L142-M190 HydrophobicContact CD2-CE 4.49Å; L142-M190 HydrophobicContact CD2-SD 4.4Å; L142-M190 HydrophobicContact CG-CE 4.28Å; L188-M190 PolarHBondContact O-N 3.15Å; M190-P192 HydrophobicContact CE-CB 4.25Å; M190-P192 HydrophobicContact CE-CG 4.25Å; M190-P192 HydrophobicContact SD-CB 4.07Å; M190-P192 HydrophobicContact SD-CG 4.49Å; M190-Y198 HydrophobicContact CB-CE1 4.22Å; M190-Y198 HydrophobicContact SD-CD1 4.47Å; M190-Y198 HydrophobicContact SD-CD2 4.37Å; M190-Y198 HydrophobicContact SD-CE1 4.05Å; M190-Y198 HydrophobicContact SD-CE2 3.97Å; M190-W215 HydrophobicContact CE-CE3 4.41Å; M190-W215 HydrophobicContact CE-CH2 3.77Å; M190-W215 HydrophobicContact CE-CZ2 4.44Å; M190-W215 HydrophobicContact CE-CZ3 3.75Å; M190-W215 HydrophobicContact SD-CZ3 4.03Å
191	V	89.5	Confident	93.5	Very high	69 Å²	69	35.1 Å²	35.1	42%	0.418	21%	0.209	S	C	.	.			trans	-119.6	92.5	165.8	-177.8	0	0	0	0	106.9	Q193	V191-Q193 PolarHBondContact O-N 3.18Å
192	P	83.8	Confident	93.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.032	20%	0.204	C	C	.	.			trans	-66.8	128.5	-167.1	26.5	-34	0	0	0	111	L136 K137 H138 M190 W215 A217	L136-P192 HydrophobicContact CD2-CB 3.8Å; L136-P192 HydrophobicContact CD2-CG 3.97Å; K137-P192 PolarHBondContact N-O 3.33Å; K137-P192 VanDerWaalsContact N-O 3.13Å; H138-P192 WeakPolarHBondContact O-CD 3.45Å; M190-P192 HydrophobicContact CE-CB 4.25Å; M190-P192 HydrophobicContact CE-CG 4.25Å; M190-P192 HydrophobicContact SD-CB 4.07Å; M190-P192 HydrophobicContact SD-CG 4.49Å; P192-W215 HydrophobicContact CB-CH2 4.04Å; P192-W215 HydrophobicContact CB-CZ3 4.22Å; P192-A217 HydrophobicContact CB-CB 4.19Å
193	Q	83.2	Confident	93.5	Very high	114 Å²	114	35.1 Å²	35.1	53%	0.533	21%	0.208	S	C	.	.			trans	-104.6	152.7	172.9	-51.1	-168.7	11.3	0	0	110.5	V191 G195 E196 A217	V191-Q193 PolarHBondContact O-N 3.18Å; Q193-G195 PolarHBondContact O-N 2.69Å; Q193-E196 HydrophobicContact CB-CG 4.06Å; Q193-E196 PolarHBondContact N-OE2 3.28Å; Q193-E196 PolarHBondContact O-N 2.95Å; Q193-A217 WeakPolarHBondContact O-CB 3.2Å
194	G	82.5	Confident	93.6	Very high	57 Å²	57	32.3 Å²	32.3	59%	0.588	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	128.9	-177.7	0	0	0	0	0	111.7
195	G	83.3	Confident	93.5	Very high	65 Å²	65	35.6 Å²	35.6	67%	0.67	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	95	-7.4	178.1	0	0	0	0	0	115	Q193	Q193-G195 PolarHBondContact O-N 2.69Å
196	E	90.3	Very high	93.5	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	21%	0.212	C	C	.	.			trans	-71.7	142.4	175.3	-62.7	-176.3	139.9	0	0	112.1	R160 Q193 Y198 A217	R160-E196 IonicContact CZ-OE1 2.85Å; R160-E196 VanDerWaalsContact CZ-OE1 3.31Å; R160-E196 IonicContact NE-OE1 2.68Å; R160-E196 PolarHBondContact NE-OE1 2.84Å; R160-E196 VanDerWaalsContact NE-OE1 3.16Å; R160-E196 IonicContact NH2-OE1 3.8Å; R160-E196 PolarHBondContact NH2-OE1 3.05Å; R160-E196 IonicContact NH2-OE2 3.66Å; Q193-E196 HydrophobicContact CB-CG 4.06Å; Q193-E196 PolarHBondContact N-OE2 3.28Å; Q193-E196 PolarHBondContact O-N 2.95Å; E196-Y198 HydrophobicContact CB-CD2 4.34Å; E196-Y198 HydrophobicContact CB-CE2 3.64Å; E196-Y198 PolarHBondContact OE2-OH 3.42Å; E196-A217 HydrophobicContact CB-CB 4.41Å; E196-A217 PolarHBondContact O-N 3.29Å
197	V	93.9	Very high	93.5	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.218	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.1	175.4	-174.6	0	0	0	0	108.7	N161 E214 K216	N161-V197 PolarHBondContact N-O 3.26Å; N161-V197 PolarHBondContact OD1-N 3.39Å; V197-E214 HydrophobicContact CG1-CB 4.28Å; V197-E214 HydrophobicContact CG1-CG 4.2Å; V197-K216 HydrophobicContact CG1-CG 4.2Å; V197-K216 HydrophobicContact CG2-CD 4.26Å; V197-K216 HydrophobicContact CG2-CG 4.06Å
198	Y	95.5	Very high	93.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.6	175.4	-64	-98	0	0	0	108.6	L142 F159 R160 L188 M190 E196 E214 W215	L142-Y198 VanDerWaalsContact CD2-CB 3.42Å; L142-Y198 HydrophobicContact CD2-CD1 4.26Å; L142-Y198 HydrophobicContact CD2-CD2 4.46Å; L142-Y198 HydrophobicContact CD2-CG 3.81Å; F159-Y198 CarbonylContact O-C 3.46Å; F159-Y198 VanDerWaalsContact O-CA 3.3Å; F159-Y198 WeakPolarHBondContact O-CA 3.35Å; R160-Y198 HydrophobicContact CB-CD1 4.24Å; R160-Y198 HydrophobicContact CB-CE1 4.22Å; R160-Y198 HydrophobicContact CG-CD1 4.17Å; R160-Y198 HydrophobicContact CG-CE1 3.78Å; R160-Y198 PolarHBondContact NE-OH 3.23Å; L188-Y198 HydrophobicContact CD2-CD1 3.68Å; L188-Y198 HydrophobicContact CD2-CE1 3.93Å; M190-Y198 HydrophobicContact CB-CE1 4.22Å; M190-Y198 HydrophobicContact SD-CD1 4.47Å; M190-Y198 HydrophobicContact SD-CD2 4.37Å; M190-Y198 HydrophobicContact SD-CE1 4.05Å; M190-Y198 HydrophobicContact SD-CE2 3.97Å; E196-Y198 HydrophobicContact CB-CD2 4.34Å; E196-Y198 HydrophobicContact CB-CE2 3.64Å; E196-Y198 PolarHBondContact OE2-OH 3.42Å; Y198-E214 CarbonylContact O-C 3.51Å; Y198-E214 WeakPolarHBondContact O-CA 3.4Å; Y198-W215 AromaticContact CD2-CE3 3.69Å; Y198-W215 HydrophobicContact CD2-CE3 3.69Å; Y198-W215 AromaticContact CD2-CZ3 3.82Å; Y198-W215 HydrophobicContact CD2-CZ3 3.82Å; Y198-W215 HydrophobicContact CE2-CE3 4.39Å; Y198-W215 HydrophobicContact CE2-CZ3 4.06Å; Y198-W215 HydrophobicContact CG-CE3 4.35Å; Y198-W215 PolarHBondContact N-O 3.04Å; Y198-W215 PolarHBondContact O-N 3.44Å
199	T	97.9	Very high	93.5	Very high	17 Å²	17	44.1 Å²	44.1	10%	0.104	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.2	-178.9	-51.3	0	0	0	0	109.9	F159 R212 V213 E214	F159-T199 PolarHBondContact N-O 3.15Å; F159-T199 PolarHBondContact O-N 3.01Å; T199-R212 HydrophobicContact CG2-CB 3.85Å; T199-R212 HydrophobicContact CG2-CG 4.23Å; T199-V213 WeakPolarHBondContact CA-O 3.45Å; T199-E214 HydrophobicContact CG2-CG 4.38Å
200	C	98.3	Very high	93.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.7	165.6	-177.9	0	0	0	0	108.7	V128 C144 V156 W158 R212 V213	V128-C200 HydrophobicContact CG2-CB 3.64Å; C144-C200 HydrophobicContact CB-CB 3.63Å; C144-C200 WeakPolarHBondContact CB-SG 3.42Å; C144-C200 WeakPolarHBondContact SG-CB 3.22Å; C144-C200 CovalentContact SG-SG 2.03Å; C144-C200 PolarHBondContact SG-SG 3.08Å; V156-C200 VanDerWaalsContact CG1-SG 3.58Å; W158-C200 HydrophobicContact CE3-CB 4.22Å; W158-C200 HydrophobicContact CH2-CB 3.95Å; W158-C200 HydrophobicContact CZ2-CB 4.31Å; W158-C200 HydrophobicContact CZ3-CB 3.9Å; C200-R212 WeakPolarHBondContact O-CA 3.46Å; C200-V213 PolarHBondContact N-O 3.12Å; C200-V213 PolarHBondContact O-N 3.17Å
201	Q	98.6	Very high	94.1	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.1	173.1	-176.7	174.5	-59.3	0	0	109.5	V156 R157 F159 E203 P210 V211 R212	V156-Q201 WeakPolarHBondContact CA-O 3.37Å; R157-Q201 PolarHBondContact N-O 2.88Å; R157-Q201 PolarHBondContact O-N 3.21Å; F159-Q201 HydrophobicContact CD2-CB 4.18Å; F159-Q201 HydrophobicContact CE2-CB 3.73Å; F159-Q201 HydrophobicContact CE2-CG 4.49Å; Q201-E203 PolarHBondContact NE2-OE1 2.67Å; Q201-P210 HydrophobicContact CG-CB 3.8Å; Q201-V211 CarbonylContact C-O 3.5Å; Q201-V211 VanDerWaalsContact CA-O 3.27Å; Q201-V211 WeakPolarHBondContact CA-O 3.42Å; Q201-R212 HydrophobicContact CB-CG 4.22Å; Q201-R212 HydrophobicContact CG-CG 4.07Å; Q201-R212 VanDerWaalsContact OE1-CZ 3.27Å
202	V	98.7	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.7	179.3	-178.9	0	0	0	0	109.8	P124 V126 V146 V154 E155 V156 P210 V211	P124-V202 HydrophobicContact CG-CG1 4.05Å; V126-V202 HydrophobicContact CB-CG2 4.47Å; V126-V202 HydrophobicContact CG1-CG2 3.87Å; V126-V202 HydrophobicContact CG2-CB 4.05Å; V126-V202 HydrophobicContact CG2-CG1 4.35Å; V126-V202 HydrophobicContact CG2-CG2 3.7Å; V146-V202 HydrophobicContact CG1-CG1 4.04Å; V146-V202 HydrophobicContact CG2-CG2 3.77Å; V154-V202 HydrophobicContact CG2-CG1 3.84Å; E155-V202 WeakPolarHBondContact O-CA 3.5Å; V156-V202 HydrophobicContact CG1-CG2 4.31Å; V156-V202 HydrophobicContact CG2-CG1 4.4Å; V156-V202 HydrophobicContact CG2-CG2 4.19Å; V202-P210 WeakPolarHBondContact O-CA 3.34Å; V202-V211 PolarHBondContact N-O 2.96Å; V202-V211 PolarHBondContact O-N 3.44Å
203	E	98.6	Very high	95.1	Very high	59 Å²	59	49.5 Å²	49.5	28%	0.276	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.9	173.8	-73	176.5	-142.8	0	0	109.7	V154 E155 R157 Q201 P210	V154-E203 WeakPolarHBondContact CA-O 3.47Å; V154-E203 WeakPolarHBondContact CG2-O 3.46Å; E155-E203 HydrophobicContact CB-CB 4.24Å; E155-E203 PolarHBondContact N-O 3.45Å; E155-E203 PolarHBondContact O-N 2.98Å; R157-E203 IonicContact CZ-OE1 3.93Å; R157-E203 IonicContact NE-OE1 2.8Å; R157-E203 IonicContact NH2-OE1 3.15Å; R157-E203 PolarHBondContact NH2-OE1 2.92Å; R157-E203 IonicContact NH2-OE2 3.31Å; Q201-E203 PolarHBondContact NE2-OE1 2.67Å; E203-P210 HydrophobicContact CG-CB 3.69Å; E203-P210 HydrophobicContact CG-CG 3.73Å
204	H	98.6	Very high	95.8	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.056	30%	0.299	C	S	.	.			trans	-154.5	142.5	-174.8	-179.8	-103.2	0	0	0	109.2	V122 P124 F149 Y150 P151 S153 V154 S206 L207	V122-H204 PolarHBondContact O-CE1 2.96Å; P124-H204 HydrophobicContact CG-CB 4.28Å; F149-H204 AromaticContact CD2-CD2 3.82Å; F149-H204 AromaticContact CD2-NE2 3.7Å; Y150-H204 PolarHBondContact O-CE1 2.85Å; Y150-H204 PolarHBondContact O-NE2 2.82Å; P151-H204 PolarHBondContact O-NE2 3.27Å; S153-H204 PolarHBondContact O-CD2 3.17Å; V154-H204 HydrophobicContact CG2-CB 4.37Å; H204-S206 PolarHBondContact CE1-OG 3.44Å; H204-S206 VanDerWaalsContact ND1-CB 3.26Å; H204-S206 WeakPolarHBondContact ND1-CB 3.34Å; H204-S206 PolarHBondContact ND1-N 2.9Å; H204-S206 PolarHBondContact ND1-OG 3.46Å; H204-S206 PolarHBondContact O-N 2.74Å; H204-L207 HydrophobicContact CB-CD1 4.02Å; H204-L207 HydrophobicContact CB-CG 4.31Å; H204-L207 WeakPolarHBondContact O-CB 3.41Å; H204-L207 PolarHBondContact O-N 2.99Å
205	P	97.6	Very high	96.4	Very high	82 Å²	82	49.1 Å²	49.1	53%	0.532	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.2	-176.5	-28.8	36.3	0	0	0	115.8	P151 S153 L207	P151-P205 HydrophobicContact CG-CG 4.44Å; S153-P205 VanDerWaalsContact O-CD 3.24Å; S153-P205 WeakPolarHBondContact O-CD 3.42Å; P205-L207 VanDerWaalsContact C-N 3.28Å
206	S	97.8	Very high	96.8	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.119	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.6	175.8	77.6	0	0	0	0	113.7	E123 H204	E123-S206 VanDerWaalsContact CA-OG 3.24Å; E123-S206 WeakPolarHBondContact CA-OG 3.35Å; E123-S206 WeakPolarHBondContact CG-OG 3.2Å; H204-S206 PolarHBondContact CE1-OG 3.44Å; H204-S206 VanDerWaalsContact ND1-CB 3.26Å; H204-S206 WeakPolarHBondContact ND1-CB 3.34Å; H204-S206 PolarHBondContact ND1-N 2.9Å; H204-S206 PolarHBondContact ND1-OG 3.46Å; H204-S206 PolarHBondContact O-N 2.74Å
207	L	97.9	Very high	96.5	Very high	29 Å²	29	51.3 Å²	51.3	15%	0.152	27%	0.272	C	S	.	.			trans	-97.5	134.6	-172.8	-63.9	171.2	0	0	0	109.6	E123 P124 H204 P205 S209 V211	E123-L207 HydrophobicContact CB-CD2 4.27Å; E123-L207 HydrophobicContact CG-CD2 3.96Å; P124-L207 HydrophobicContact CG-CD1 3.93Å; P124-L207 HydrophobicContact CG-CG 4.45Å; H204-L207 HydrophobicContact CB-CD1 4.02Å; H204-L207 HydrophobicContact CB-CG 4.31Å; H204-L207 WeakPolarHBondContact O-CB 3.41Å; H204-L207 PolarHBondContact O-N 2.99Å; P205-L207 VanDerWaalsContact C-N 3.28Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-V211 HydrophobicContact CD1-CB 4.27Å; L207-V211 HydrophobicContact CD1-CG2 3.71Å; L207-V211 HydrophobicContact CD2-CG2 3.83Å; L207-V211 HydrophobicContact CG-CG2 4.4Å
208	T	96.8	Very high	95.5	Very high	152 Å²	152	54.7 Å²	54.7	93%	0.933	29%	0.286	S	S	*	.	S	Bend	trans	-74.4	-22.5	174.3	53.3	0	0	0	0	112.9
209	S	97.2	Very high	93.9	Very high	76 Å²	76	57 Å²	57	53%	0.531	30%	0.301	S	S	.	.	S	Bend	trans	-150.1	154.6	175.4	65.4	0	0	0	0	110.6	L207 V211	L207-S209 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 2.88Å
210	P	97.6	Very high	91.9	Very high	49 Å²	49	59.6 Å²	59.6	32%	0.318	32%	0.318	S	S	.	.			trans	-58.6	133.5	-179.9	-20.6	30.2	0	0	0	112.4	Q201 V202 E203	Q201-P210 HydrophobicContact CG-CB 3.8Å; V202-P210 WeakPolarHBondContact O-CA 3.34Å; E203-P210 HydrophobicContact CG-CB 3.69Å; E203-P210 HydrophobicContact CG-CG 3.73Å
211	V	98	Very high	89.9	Confident	46 Å²	46	62.3 Å²	62.3	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.1	173.8	167.9	0	0	0	0	109	V126 Q201 V202 L207 S209 V213	V126-V211 HydrophobicContact CB-CG1 4.26Å; V126-V211 HydrophobicContact CG2-CG1 3.99Å; Q201-V211 CarbonylContact C-O 3.5Å; Q201-V211 VanDerWaalsContact CA-O 3.27Å; Q201-V211 WeakPolarHBondContact CA-O 3.42Å; V202-V211 PolarHBondContact N-O 2.96Å; V202-V211 PolarHBondContact O-N 3.44Å; L207-V211 HydrophobicContact CD1-CB 4.27Å; L207-V211 HydrophobicContact CD1-CG2 3.71Å; L207-V211 HydrophobicContact CD2-CG2 3.83Å; L207-V211 HydrophobicContact CG-CG2 4.4Å; S209-V211 PolarHBondContact O-N 2.88Å; V211-V213 HydrophobicContact CG1-CG2 4.16Å
212	R	98	Very high	87.8	Confident	163 Å²	163	63.8 Å²	63.8	62%	0.615	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.2	177.3	-68.2	-177.5	178.2	124.1	2.2	110.6	T199 C200 Q201	T199-R212 HydrophobicContact CG2-CB 3.85Å; T199-R212 HydrophobicContact CG2-CG 4.23Å; C200-R212 WeakPolarHBondContact O-CA 3.46Å; Q201-R212 HydrophobicContact CB-CG 4.22Å; Q201-R212 HydrophobicContact CG-CG 4.07Å; Q201-R212 VanDerWaalsContact OE1-CZ 3.27Å
213	V	98	Very high	85.8	Confident	37 Å²	37	69.3 Å²	69.3	22%	0.224	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.3	176.5	-177.5	0	0	0	0	109.1	V126 V128 T199 C200 V211	V126-V213 HydrophobicContact CB-CG2 3.87Å; V126-V213 HydrophobicContact CG1-CB 4.23Å; V126-V213 HydrophobicContact CG1-CG2 3.62Å; V128-V213 HydrophobicContact CB-CG1 3.96Å; V128-V213 HydrophobicContact CG2-CB 3.84Å; V128-V213 HydrophobicContact CG2-CG1 3.66Å; T199-V213 WeakPolarHBondContact CA-O 3.45Å; C200-V213 PolarHBondContact N-O 3.12Å; C200-V213 PolarHBondContact O-N 3.17Å; V211-V213 HydrophobicContact CG1-CG2 4.16Å
214	E	96.6	Very high	83.8	Confident	115 Å²	115	71.1 Å²	71.1	54%	0.537	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.9	179.7	-66.6	-175	-178.4	0	0	112.2	V197 Y198 T199 K216	V197-E214 HydrophobicContact CG1-CB 4.28Å; V197-E214 HydrophobicContact CG1-CG 4.2Å; Y198-E214 CarbonylContact O-C 3.51Å; Y198-E214 WeakPolarHBondContact O-CA 3.4Å; T199-E214 HydrophobicContact CG2-CG 4.38Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.02Å; E214-K216 PolarHBondContact OE2-NZ 3.29Å
215	W	94.5	Very high	81.9	Confident	49 Å²	49	77.5 Å²	77.5	19%	0.186	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127	164.6	-178.3	90.4	0	0	0	109.7	V128 P130 L142 M190 P192 Y198 A217	V128-W215 HydrophobicContact CB-CB 4.5Å; V128-W215 HydrophobicContact CG1-CB 3.6Å; V128-W215 HydrophobicContact CG1-CG 4.23Å; P130-W215 HydrophobicContact CG-CZ2 4.42Å; L142-W215 HydrophobicContact CD1-CB 4.25Å; L142-W215 HydrophobicContact CD1-CD2 3.64Å; L142-W215 HydrophobicContact CD1-CE3 3.98Å; L142-W215 HydrophobicContact CD1-CG 3.74Å; L142-W215 HydrophobicContact CD2-CB 4.16Å; L142-W215 HydrophobicContact CD2-CD2 4.23Å; L142-W215 HydrophobicContact CD2-CE3 3.93Å; L142-W215 HydrophobicContact CD2-CG 4.34Å; M190-W215 HydrophobicContact CE-CE3 4.41Å; M190-W215 HydrophobicContact CE-CH2 3.77Å; M190-W215 HydrophobicContact CE-CZ2 4.44Å; M190-W215 HydrophobicContact CE-CZ3 3.75Å; M190-W215 HydrophobicContact SD-CZ3 4.03Å; P192-W215 HydrophobicContact CB-CH2 4.04Å; P192-W215 HydrophobicContact CB-CZ3 4.22Å; Y198-W215 AromaticContact CD2-CE3 3.69Å; Y198-W215 HydrophobicContact CD2-CE3 3.69Å; Y198-W215 AromaticContact CD2-CZ3 3.82Å; Y198-W215 HydrophobicContact CD2-CZ3 3.82Å; Y198-W215 HydrophobicContact CE2-CE3 4.39Å; Y198-W215 HydrophobicContact CE2-CZ3 4.06Å; Y198-W215 HydrophobicContact CG-CE3 4.35Å; Y198-W215 PolarHBondContact N-O 3.04Å; Y198-W215 PolarHBondContact O-N 3.44Å; W215-A217 HydrophobicContact CH2-CB 4.06Å; W215-A217 HydrophobicContact CZ3-CB 3.86Å
216	K	91.6	Very high	80	Confident	121 Å²	121	80.2 Å²	80.2	53%	0.526	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.3	-178.2	-59	-170.8	177.6	174.7	0	110	V197 E214 Q218	V197-K216 HydrophobicContact CG1-CG 4.2Å; V197-K216 HydrophobicContact CG2-CD 4.26Å; V197-K216 HydrophobicContact CG2-CG 4.06Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.02Å; E214-K216 PolarHBondContact OE2-NZ 3.29Å; K216-Q218 PolarHBondContact O-N 3.2Å
217	A	84.9	Confident	78.1	Confident	7 Å²	7	85.8 Å²	85.8	6%	0.058	45%	0.445	C	S	.	.			trans	-66.7	101.1	174.5	0	0	0	0	0	110	L136 P192 Q193 E196 W215	L136-A217 HydrophobicContact CD2-CB 4.03Å; P192-A217 HydrophobicContact CB-CB 4.19Å; Q193-A217 WeakPolarHBondContact O-CB 3.2Å; E196-A217 HydrophobicContact CB-CB 4.41Å; E196-A217 PolarHBondContact O-N 3.29Å; W215-A217 HydrophobicContact CH2-CB 4.06Å; W215-A217 HydrophobicContact CZ3-CB 3.86Å
218	Q	73.9	Confident	76.5	Confident	107 Å²	107	88.8 Å²	88.8	50%	0.5	47%	0.468	S	S	.	.			trans	-75.8	134.3	179	-67.7	-177.2	10.6	0	0	110.4	L136 K216	L136-Q218 WeakPolarHBondContact CD1-O 3.24Å; L136-Q218 WeakPolarHBondContact CG-O 3.3Å; K216-Q218 PolarHBondContact O-N 3.2Å
219	S	60	Low	74.9	Confident	49 Å²	49	83.3 Å²	83.3	34%	0.343	44%	0.442	S	S	.	.			trans	-68.8	143.2	174.9	94.5	0	0	0	0	111	S221 A222 Q223	S219-S221 PolarHBondContact O-N 2.88Å; S219-S221 VanDerWaalsContact O-N 3.12Å; S219-S221 WeakPolarHBondContact OG-CB 3.45Å; S219-S221 PolarHBondContact OG-N 2.9Å; S219-A222 WeakPolarHBondContact O-CB 3.12Å; S219-A222 PolarHBondContact O-N 2.69Å; S219-A222 PolarHBondContact OG-N 3.15Å; S219-Q223 PolarHBondContact O-N 2.88Å
220	T	57.5	Low	73.7	Confident	73 Å²	73	84.1 Å²	84.1	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-53.7	-30.7	172.4	47.5	0	0	0	0	112	P135 N224	P135-T220 HydrophobicContact CB-CG2 4.09Å; T220-N224 WeakPolarHBondContact O-CB 3.48Å; T220-N224 PolarHBondContact O-N 2.6Å; T220-N224 PolarHBondContact O-ND2 3.3Å
221	S	54.9	Low	72.4	Confident	56 Å²	56	83.4 Å²	83.4	39%	0.392	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173	-173.9	0	0	0	0	112.5	S219 K225	S219-S221 PolarHBondContact O-N 2.88Å; S219-S221 VanDerWaalsContact O-N 3.12Å; S219-S221 WeakPolarHBondContact OG-CB 3.45Å; S219-S221 PolarHBondContact OG-N 2.9Å; S221-K225 VanDerWaalsContact O-CB 3.28Å; S221-K225 WeakPolarHBondContact O-CB 3.35Å; S221-K225 WeakPolarHBondContact O-CG 3.31Å; S221-K225 PolarHBondContact O-N 2.91Å; S221-K225 WeakPolarHBondContact OG-CE 3.31Å
222	A	54.8	Low	71.5	Confident	41 Å²	41	83.4 Å²	83.4	34%	0.339	45%	0.454	S	S	.	.	H	α-helix	trans	-68.1	-37.6	178.2	0	0	0	0	0	112.3	S219 K226	S219-A222 WeakPolarHBondContact O-CB 3.12Å; S219-A222 PolarHBondContact O-N 2.69Å; S219-A222 PolarHBondContact OG-N 3.15Å; A222-K226 PolarHBondContact O-N 3.2Å
223	Q	57	Low	70.7	Confident	116 Å²	116	80.9 Å²	80.9	54%	0.542	45%	0.452	S	S	.	.	H	α-helix	trans	-70	-42.3	176.5	-165.7	165.4	-20.3	0	0	111.8	S219 K225 K226 M227	S219-Q223 PolarHBondContact O-N 2.88Å; Q223-K225 VanDerWaalsContact C-N 3.35Å; Q223-K225 PolarHBondContact O-N 2.67Å; Q223-K226 PolarHBondContact O-N 2.91Å; Q223-M227 PolarHBondContact O-N 2.85Å
224	N	57.5	Low	70.1	Confident	96 Å²	96	83 Å²	83	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-34	174.9	-71.5	-9.6	0	0	0	112.6	T220 M227 S228	T220-N224 WeakPolarHBondContact O-CB 3.48Å; T220-N224 PolarHBondContact O-N 2.6Å; T220-N224 PolarHBondContact O-ND2 3.3Å; N224-M227 PolarHBondContact O-N 3.07Å; N224-S228 WeakPolarHBondContact O-CB 3.34Å; N224-S228 PolarHBondContact O-N 2.72Å
225	K	58.3	Low	69.6	Low	146 Å²	146	82.2 Å²	82.2	64%	0.635	46%	0.463	S	S	*	.	H	α-helix	trans	-65.6	-38.7	174.8	-79.8	173.1	-177.9	-177.4	0	112.6	S221 Q223 G229	S221-K225 VanDerWaalsContact O-CB 3.28Å; S221-K225 WeakPolarHBondContact O-CB 3.35Å; S221-K225 WeakPolarHBondContact O-CG 3.31Å; S221-K225 PolarHBondContact O-N 2.91Å; S221-K225 WeakPolarHBondContact OG-CE 3.31Å; Q223-K225 VanDerWaalsContact C-N 3.35Å; Q223-K225 PolarHBondContact O-N 2.67Å; K225-G229 PolarHBondContact O-N 3.3Å
226	K	58.2	Low	69.2	Low	139 Å²	139	81.4 Å²	81.4	60%	0.604	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-41.9	173.6	-72.2	-178.2	-179.1	178.2	0	111.6	A222 Q223 G229 V230	A222-K226 PolarHBondContact O-N 3.2Å; Q223-K226 PolarHBondContact O-N 2.91Å; K226-G229 PolarHBondContact O-N 2.88Å; K226-V230 WeakPolarHBondContact O-CG2 3.47Å; K226-V230 PolarHBondContact O-N 3.46Å; K226-V230 VanDerWaalsContact O-N 3.14Å
227	M	57.4	Low	69.2	Low	135 Å²	135	81.1 Å²	81.1	67%	0.665	47%	0.474	S	S	*	.	H	α-helix	trans	-68.4	-38.8	-179.9	-126.9	167.1	42.3	0	0	112.9	Q223 N224 G231	Q223-M227 PolarHBondContact O-N 2.85Å; N224-M227 PolarHBondContact O-N 3.07Å; M227-G231 PolarHBondContact O-N 3.43Å
228	S	63.2	Low	69.5	Low	91 Å²	91	86.2 Å²	86.2	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-69.1	-37.7	174.4	179.9	0	0	0	0	112.5	N224 G231 G232	N224-S228 WeakPolarHBondContact O-CB 3.34Å; N224-S228 PolarHBondContact O-N 2.72Å; S228-G231 PolarHBondContact O-N 2.96Å; S228-G232 PolarHBondContact O-N 3.48Å
229	G	65	Low	70.2	Confident	37 Å²	37	88.4 Å²	88.4	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-42.5	176.3	0	0	0	0	0	113.3	K225 K226 G232 I233	K225-G229 PolarHBondContact O-N 3.3Å; K226-G229 PolarHBondContact O-N 2.88Å; G229-G232 PolarHBondContact O-N 3.08Å; G229-I233 WeakPolarHBondContact O-CG1 3.36Å; G229-I233 PolarHBondContact O-N 3.48Å; G229-I233 VanDerWaalsContact O-N 3.14Å
230	V	71.3	Confident	71.6	Confident	94 Å²	94	91.3 Å²	91.3	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-41	175.4	174.6	0	0	0	0	111.2	K226 G232 I233 V234	K226-V230 WeakPolarHBondContact O-CG2 3.47Å; K226-V230 PolarHBondContact O-N 3.46Å; K226-V230 VanDerWaalsContact O-N 3.14Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 PolarHBondContact O-N 3.48Å; V230-I233 PolarHBondContact O-N 3.35Å; V230-V234 WeakPolarHBondContact O-CG2 3.37Å; V230-V234 PolarHBondContact O-N 3.39Å; V230-V234 VanDerWaalsContact O-N 3.1Å
231	G	69.8	Low	73.2	Confident	34 Å²	34	89.8 Å²	89.8	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-41.4	175.1	0	0	0	0	0	113.2	M227 S228 L235	M227-G231 PolarHBondContact O-N 3.43Å; S228-G231 PolarHBondContact O-N 2.96Å; G231-L235 WeakPolarHBondContact O-CB 3.25Å; G231-L235 PolarHBondContact O-N 3.32Å; G231-L235 VanDerWaalsContact O-N 3.08Å
232	G	78.9	Confident	74.9	Confident	45 Å²	45	89.7 Å²	89.7	46%	0.464	52%	0.52	S	S	.	.	H	α-helix	trans	-65.8	-38.9	177.1	0	0	0	0	0	113.8	S228 G229 V230 G236	S228-G232 PolarHBondContact O-N 3.48Å; G229-G232 PolarHBondContact O-N 3.08Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 PolarHBondContact O-N 3.48Å; G232-G236 PolarHBondContact O-N 3.04Å
233	I	82.4	Confident	76.5	Confident	111 Å²	111	89.7 Å²	89.7	57%	0.569	52%	0.524	S	S	*	.	H	α-helix	trans	-67.2	-43.2	177.8	-67.2	166.5	0	0	0	110.9	G229 V230 G236 L237	G229-I233 WeakPolarHBondContact O-CG1 3.36Å; G229-I233 PolarHBondContact O-N 3.48Å; G229-I233 VanDerWaalsContact O-N 3.14Å; V230-I233 PolarHBondContact O-N 3.35Å; I233-G236 PolarHBondContact O-N 3.25Å; I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.45Å; I233-L237 WeakPolarHBondContact O-CG 3.23Å; I233-L237 PolarHBondContact O-N 3.02Å
234	V	84.4	Confident	78	Confident	80 Å²	80	88.4 Å²	88.4	49%	0.485	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-45.1	178.1	174.1	0	0	0	0	110.8	V230 L237 L238	V230-V234 WeakPolarHBondContact O-CG2 3.37Å; V230-V234 PolarHBondContact O-N 3.39Å; V230-V234 VanDerWaalsContact O-N 3.1Å; V234-L237 PolarHBondContact O-N 3.2Å; V234-L238 HydrophobicContact CG1-CD1 4.3Å; V234-L238 WeakPolarHBondContact O-CG 3.49Å; V234-L238 PolarHBondContact O-N 3.1Å; V234-L238 VanDerWaalsContact O-N 3.08Å
235	L	85.8	Confident	79.3	Confident	100 Å²	100	90.3 Å²	90.3	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-44.3	174.5	-81.6	159.3	0	0	0	111.7	G231 L237 L238 F239	G231-L235 WeakPolarHBondContact O-CB 3.25Å; G231-L235 PolarHBondContact O-N 3.32Å; G231-L235 VanDerWaalsContact O-N 3.08Å; L235-L237 PolarHBondContact O-N 3.25Å; L235-L238 PolarHBondContact O-N 3.44Å; L235-F239 HydrophobicContact CD2-CE2 4.35Å; L235-F239 WeakPolarHBondContact O-CD2 3.24Å; L235-F239 PolarHBondContact O-N 3.32Å; L235-F239 VanDerWaalsContact O-N 3.09Å
236	G	86.6	Confident	80.6	Confident	32 Å²	32	87.8 Å²	87.8	33%	0.33	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.6	0	0	0	0	0	113.4	G232 I233 F239 L240	G232-G236 PolarHBondContact O-N 3.04Å; I233-G236 PolarHBondContact O-N 3.25Å; G236-F239 PolarHBondContact O-N 3.18Å; G236-L240 WeakPolarHBondContact O-CB 3.4Å; G236-L240 PolarHBondContact O-N 3.44Å
237	L	92.1	Very high	82	Confident	114 Å²	114	87.7 Å²	87.7	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-65.8	-36.8	176.8	-72.5	172.8	0	0	0	112.4	I233 V234 L235 L240 G241	I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.45Å; I233-L237 WeakPolarHBondContact O-CG 3.23Å; I233-L237 PolarHBondContact O-N 3.02Å; V234-L237 PolarHBondContact O-N 3.2Å; L235-L237 PolarHBondContact O-N 3.25Å; L237-L240 PolarHBondContact O-N 3.49Å; L237-G241 PolarHBondContact O-N 3.03Å
238	L	89.8	Confident	83.1	Confident	115 Å²	115	86.8 Å²	86.8	60%	0.602	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-45.6	174.7	-74.8	168.7	0	0	0	111.7	V234 L235 G241 A242	V234-L238 HydrophobicContact CG1-CD1 4.3Å; V234-L238 WeakPolarHBondContact O-CG 3.49Å; V234-L238 PolarHBondContact O-N 3.1Å; V234-L238 VanDerWaalsContact O-N 3.08Å; L235-L238 PolarHBondContact O-N 3.44Å; L238-G241 PolarHBondContact O-N 3.41Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.81Å
239	F	89.7	Confident	83.9	Confident	153 Å²	153	91 Å²	91	67%	0.671	51%	0.512	S	S	*	.	H	α-helix	trans	-67	-39.3	177.1	-76.1	-65.3	0	0	0	112.7	L235 G236 A242 G243	L235-F239 HydrophobicContact CD2-CE2 4.35Å; L235-F239 WeakPolarHBondContact O-CD2 3.24Å; L235-F239 PolarHBondContact O-N 3.32Å; L235-F239 VanDerWaalsContact O-N 3.09Å; G236-F239 PolarHBondContact O-N 3.18Å; F239-A242 PolarHBondContact O-N 2.98Å; F239-G243 PolarHBondContact O-N 3.5Å
240	L	90.3	Very high	84.3	Confident	110 Å²	110	94.7 Å²	94.7	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-46.7	173.4	-92.4	157	0	0	0	111.7	G236 L237 G243 L244	G236-L240 WeakPolarHBondContact O-CB 3.4Å; G236-L240 PolarHBondContact O-N 3.44Å; L237-L240 PolarHBondContact O-N 3.49Å; L240-G243 PolarHBondContact O-N 3.46Å; L240-L244 WeakPolarHBondContact O-CB 3.15Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 PolarHBondContact O-N 2.95Å
241	G	89.9	Confident	84.1	Confident	40 Å²	40	94.6 Å²	94.6	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.9	0	0	0	0	0	112.6	L237 L238 L244 F245	L237-G241 PolarHBondContact O-N 3.03Å; L238-G241 PolarHBondContact O-N 3.41Å; G241-L244 PolarHBondContact O-N 2.97Å; G241-F245 WeakPolarHBondContact O-CB 3.19Å; G241-F245 PolarHBondContact O-N 2.76Å
242	A	90.2	Very high	83.5	Confident	54 Å²	54	101.8 Å²	101.8	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-42.6	175.9	0	0	0	0	0	112.2	L238 F239 F245 V246	L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.81Å; F239-A242 PolarHBondContact O-N 2.98Å; A242-F245 PolarHBondContact O-N 2.89Å; A242-V246 WeakPolarHBondContact O-CG2 2.99Å; A242-V246 PolarHBondContact O-N 2.84Å
243	G	88.1	Confident	82.4	Confident	42 Å²	42	102.6 Å²	102.6	43%	0.433	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-46.6	176.7	0	0	0	0	0	112.6	F239 L240 F245 V246 Y247	F239-G243 PolarHBondContact O-N 3.5Å; L240-G243 PolarHBondContact O-N 3.46Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.64Å; G243-V246 PolarHBondContact O-N 2.81Å; G243-Y247 VanDerWaalsContact O-CB 3.29Å; G243-Y247 WeakPolarHBondContact O-CB 3.15Å; G243-Y247 PolarHBondContact O-N 2.6Å
244	L	89.1	Confident	80.8	Confident	89 Å²	89	105.3 Å²	105.3	47%	0.466	56%	0.557	S	S	.	*	H	α-helix	trans	-60.4	-42.8	173.9	-87.3	149.4	0	0	0	111.5	L240 G241 Y247 F248	L240-L244 WeakPolarHBondContact O-CB 3.15Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 PolarHBondContact O-N 2.95Å; G241-L244 PolarHBondContact O-N 2.97Å; L244-Y247 PolarHBondContact O-N 3.3Å; L244-F248 HydrophobicContact CB-CD2 4.48Å; L244-F248 HydrophobicContact CB-CE2 4.47Å; L244-F248 HydrophobicContact CD2-CD2 4.3Å; L244-F248 HydrophobicContact CD2-CE2 3.56Å; L244-F248 HydrophobicContact CD2-CZ 4.28Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 WeakPolarHBondContact O-CD2 3.3Å; L244-F248 PolarHBondContact O-N 2.77Å
245	F	85.6	Confident	79.1	Confident	135 Å²	135	106.9 Å²	106.9	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-62.3	-44.5	177.8	-178.2	-98.2	0	0	0	112.7	G241 A242 G243 R249	G241-F245 WeakPolarHBondContact O-CB 3.19Å; G241-F245 PolarHBondContact O-N 2.76Å; A242-F245 PolarHBondContact O-N 2.89Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.64Å; F245-R249 HydrophobicContact CE1-CG 4.39Å; F245-R249 HydrophobicContact CZ-CG 4.45Å; F245-R249 PolarHBondContact O-N 3.45Å
246	V	85.6	Confident	77.4	Confident	94 Å²	94	104.9 Å²	104.9	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-65.1	-44.6	175.8	172.5	0	0	0	0	110.8	A242 G243 F248 R249 N250	A242-V246 WeakPolarHBondContact O-CG2 2.99Å; A242-V246 PolarHBondContact O-N 2.84Å; G243-V246 PolarHBondContact O-N 2.81Å; V246-F248 PolarHBondContact O-N 3.25Å; V246-R249 PolarHBondContact O-N 2.85Å; V246-N250 PolarHBondContact O-N 2.98Å
247	Y	87.6	Confident	75.4	Confident	136 Å²	136	111.5 Å²	111.5	53%	0.533	60%	0.602	S	S	.	*	H	α-helix	trans	-57.9	-48.4	177.9	178.1	-98.5	0	0	0	112.2	G243 L244 R249 N250 Q251	G243-Y247 VanDerWaalsContact O-CB 3.29Å; G243-Y247 WeakPolarHBondContact O-CB 3.15Å; G243-Y247 PolarHBondContact O-N 2.6Å; L244-Y247 PolarHBondContact O-N 3.3Å; Y247-R249 PolarHBondContact O-N 2.88Å; Y247-N250 PolarHBondContact O-N 3.39Å; Y247-Q251 HydrophobicContact CE1-CG 4.34Å; Y247-Q251 PolarHBondContact O-N 2.89Å; Y247-Q251 PolarHBondContact OH-NE2 2.95Å
248	F	80.5	Confident	73.1	Confident	117 Å²	117	115 Å²	115	51%	0.513	62%	0.615	S	S	.	*	H	α-helix	trans	-68.6	-32.4	177.9	-76.4	-59.9	0	0	0	113.4	L244 V246 N250 K252	L244-F248 HydrophobicContact CB-CD2 4.48Å; L244-F248 HydrophobicContact CB-CE2 4.47Å; L244-F248 HydrophobicContact CD2-CD2 4.3Å; L244-F248 HydrophobicContact CD2-CE2 3.56Å; L244-F248 HydrophobicContact CD2-CZ 4.28Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 WeakPolarHBondContact O-CD2 3.3Å; L244-F248 PolarHBondContact O-N 2.77Å; V246-F248 PolarHBondContact O-N 3.25Å; F248-N250 VanDerWaalsContact C-N 3.32Å; F248-K252 PolarHBondContact O-N 2.93Å
249	R	79.6	Confident	71	Confident	179 Å²	179	114.8 Å²	114.8	68%	0.675	62%	0.621	S	S	*	*	H	α-helix	trans	-64.5	-37.4	170.3	-91	-171.4	72.5	152.5	0.2	112	F245 V246 Y247 K252	F245-R249 HydrophobicContact CE1-CG 4.39Å; F245-R249 HydrophobicContact CZ-CG 4.45Å; F245-R249 PolarHBondContact O-N 3.45Å; V246-R249 PolarHBondContact O-N 2.85Å; Y247-R249 PolarHBondContact O-N 2.88Å; R249-K252 PolarHBondContact O-N 3.38Å
250	N	73.3	Confident	68.7	Low	114 Å²	114	114.4 Å²	114.4	61%	0.61	63%	0.632	S	S	*	*	H	α-helix	trans	-74.3	-35.9	-178	-145.5	23.2	0	0	0	112.2	V246 Y247 F248 K252 G253	V246-N250 PolarHBondContact O-N 2.98Å; Y247-N250 PolarHBondContact O-N 3.39Å; F248-N250 VanDerWaalsContact C-N 3.32Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.11Å; N250-G253 PolarHBondContact O-N 3.16Å
251	Q	67.6	Low	66.3	Low	92 Å²	92	112.7 Å²	112.7	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-63.8	-34	172.8	-78	-164.8	-22.8	0	0	113.1	Y247 G253 Q254	Y247-Q251 HydrophobicContact CE1-CG 4.34Å; Y247-Q251 PolarHBondContact O-N 2.89Å; Y247-Q251 PolarHBondContact OH-NE2 2.95Å; Q251-G253 PolarHBondContact O-N 2.92Å; Q251-Q254 PolarHBondContact O-N 3.06Å
252	K	57.5	Low	64.1	Low	185 Å²	185	118.8 Å²	118.8	80%	0.804	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-16	172.8	-75.5	-175.7	177.3	-177.4	0	113.5	F248 R249 N250	F248-K252 PolarHBondContact O-N 2.93Å; R249-K252 PolarHBondContact O-N 3.38Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.11Å
253	G	54.3	Low	61.7	Low	63 Å²	63	123.8 Å²	123.8	65%	0.649	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-15.7	175.8	0	0	0	0	0	115.1	N250 Q251	N250-G253 PolarHBondContact O-N 3.16Å; Q251-G253 PolarHBondContact O-N 2.92Å
254	Q	49.9	Very low	59.4	Low	168 Å²	168	132.9 Å²	132.9	79%	0.785	72%	0.72	S	S	*	*	S	Bend	trans	-100.5	3.3	-177.7	-80.2	-174.4	-25.6	0	0	114.8	Q251 G256	Q251-Q254 PolarHBondContact O-N 3.06Å; Q254-G256 PolarHBondContact O-N 2.59Å
255	S	47.8	Very low	57.9	Low	112 Å²	112	135.1 Å²	135.1	78%	0.783	73%	0.733	S	S	*	*	S	Bend	trans	-94.8	30.4	-178.3	-56.3	0	0	0	0	114.4
256	G	51.2	Low	56.4	Low	58 Å²	58	135.1 Å²	135.1	60%	0.598	74%	0.74	S	S	*	*			trans	-156.9	86.7	179	0	0	0	0	0	113.8	Q254	Q254-G256 PolarHBondContact O-N 2.59Å
257	L	43.3	Very low	54.8	Low	172 Å²	172	137.4 Å²	137.4	90%	0.901	75%	0.749	S	S	*	*			trans	179.2	110.2	133.7	-112.6	121	0	0	0	109
258	Q	44	Very low	52.9	Low	186 Å²	186	137.5 Å²	137.5	87%	0.869	76%	0.762	S	S	*	*			trans	-112.5	116.2	164.9	-159.2	-175.3	9.4	0	0	107
259	P	45.2	Very low	51.2	Low	112 Å²	112	138.8 Å²	138.8	73%	0.727	78%	0.778	S	S	*	*			trans	-90.5	119.2	166.5	15.5	0.4	0	0	0	109.3	G261	P259-G261 PolarHBondContact O-N 3.05Å
260	T	43.1	Very low	49.3	Very low	145 Å²	145	136.1 Å²	136.1	89%	0.89	78%	0.784	S	S	*	*			trans	-73.1	110	165.7	-6.7	0	0	0	0	108.7
261	G	38.8	Very low	47.5	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	80%	0.797	S	S	*	*			trans	-107.8	121.9	166.1	0	0	0	0	0	110.2	P259	P259-G261 PolarHBondContact O-N 3.05Å
262	L	43.3	Very low	46	Very low	167 Å²	167	141.2 Å²	141.2	87%	0.874	83%	0.825	S	S	*	*			trans	-58.7	145.4	166.7	-94.3	128.1	0	0	0	112
263	L	39.7	Very low	45	Very low	159 Å²	159	137.5 Å²	137.5	83%	0.832	83%	0.827	S	S	*	*				171.8	99.6	123.3	-89	169.3	0	0	0	111
264	N	39.9	Very low	44.2	Very low	234 Å²	234	144.3 Å²	144.3	100%	1.251	84%	0.843	S	S	*	*				172.3	0	123.2	-95.1	-1.8	0	0	0	110.1

Retrieved 264 of 264 residues in 160.7 ms (Link to these results)

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