A0A077ZHG1_TRITR Loading...

Large ribosomal subunit protein uL2

AlphaFold DB , UniProt , Accession A0A077ZHG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.5	Confident	92.2	Very high	127 Å²	127	78.4 Å²	78.4	63%	0.626	45%	0.45	S	S	*	.				0	130.2	0	175.3	-174.2	-57.9	0	0	106.4	K192	M1-K192 HydrophobicContact CE-CB 4.14Å; M1-K192 HydrophobicContact CE-CD 3.49Å; M1-K192 VanDerWaalsContact CE-CD 3.49Å; M1-K192 HydrophobicContact CE-CG 3.54Å
2	T	92.6	Very high	92.2	Very high	69 Å²	69	81.2 Å²	81.2	42%	0.423	48%	0.478	S	S	.	.			trans	-112.8	151.9	175.5	56.7	0	0	0	0	110	L187 N189 R195	T2-L187 PolarHBondContact OG1-O 3.43Å; T2-N189 PolarHBondContact N-O 3.09Å; T2-N189 PolarHBondContact OG1-N 3.12Å; T2-R195 PolarHBondContact O-NH1 3.27Å
3	S	91	Very high	92.4	Very high	86 Å²	86	82.3 Å²	82.3	60%	0.601	49%	0.486	S	S	*	.			trans	-138.6	160	-179.6	51.5	0	0	0	0	110.1
4	S	91.1	Very high	92.7	Very high	24 Å²	24	79.2 Å²	79.2	17%	0.168	47%	0.47	C	S	.	.			trans	-61.1	143.4	165.6	-57.8	0	0	0	0	109.7	F6 I188	S4-F6 VanDerWaalsContact C-N 3.32Å; S4-F6 WeakPolarHBondContact O-CD2 3.37Å; S4-I188 WeakPolarHBondContact OG-CD1 3.46Å
5	D	92.6	Very high	93	Very high	122 Å²	122	76.8 Å²	76.8	65%	0.652	45%	0.452	S	S	*	.			trans	-75.1	-23.1	171.9	57.5	-1.6	0	0	0	112.5	A7	D5-A7 PolarHBondContact O-N 3.15Å; D5-A7 PolarHBondContact OD1-N 2.87Å
6	F	92.5	Very high	93.2	Very high	105 Å²	105	83.5 Å²	83.5	46%	0.461	47%	0.473	S	S	.	.			trans	61.7	23.1	-178.5	-56.6	-64.2	0	0	0	113.9	S4 E8 I9 Y68	S4-F6 VanDerWaalsContact C-N 3.32Å; S4-F6 WeakPolarHBondContact O-CD2 3.37Å; F6-E8 VanDerWaalsContact C-N 3.27Å; F6-E8 PolarHBondContact O-N 2.92Å; F6-I9 HydrophobicContact CB-CD1 3.68Å; F6-I9 HydrophobicContact CD1-CD1 3.34Å; F6-I9 HydrophobicContact CE1-CD1 4.3Å; F6-I9 HydrophobicContact CG-CD1 3.9Å; F6-I9 PolarHBondContact O-N 3.39Å; F6-Y68 HydrophobicContact CE1-CD2 4.03Å; F6-Y68 HydrophobicContact CE1-CE2 4.19Å
7	A	92.6	Very high	93.4	Very high	82 Å²	82	85.1 Å²	85.1	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.6	-176.9	0	0	0	0	0	113.4	D5 I9	D5-A7 PolarHBondContact O-N 3.15Å; D5-A7 PolarHBondContact OD1-N 2.87Å; A7-I9 VanDerWaalsContact C-N 3.27Å; A7-I9 PolarHBondContact O-N 2.61Å
8	E	91.4	Very high	93.6	Very high	94 Å²	94	81.7 Å²	81.7	44%	0.439	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.6	177.9	-64.1	179.8	168.8	0	0	113.7	F6 I66 N75	F6-E8 VanDerWaalsContact C-N 3.27Å; F6-E8 PolarHBondContact O-N 2.92Å; E8-I66 VanDerWaalsContact O-CB 3.31Å; E8-I66 WeakPolarHBondContact O-CB 3.27Å; E8-I66 VanDerWaalsContact O-CG2 3.3Å; E8-I66 WeakPolarHBondContact O-CG2 3.25Å; E8-N75 PolarHBondContact OE2-ND2 2.91Å
9	I	94.8	Very high	93.8	Very high	37 Å²	37	79.5 Å²	79.5	19%	0.19	45%	0.452	C	S	.	.			trans	-86.3	122.3	-173.7	-70.9	150.9	0	0	0	110	F6 A7 T11 I66 Y68	F6-I9 HydrophobicContact CB-CD1 3.68Å; F6-I9 HydrophobicContact CD1-CD1 3.34Å; F6-I9 HydrophobicContact CE1-CD1 4.3Å; F6-I9 HydrophobicContact CG-CD1 3.9Å; F6-I9 PolarHBondContact O-N 3.39Å; A7-I9 VanDerWaalsContact C-N 3.27Å; A7-I9 PolarHBondContact O-N 2.61Å; I9-T11 VanDerWaalsContact CG2-O 3.25Å; I9-T11 WeakPolarHBondContact CG2-O 3.37Å; I9-I66 WeakPolarHBondContact CA-O 3.35Å; I9-Y68 HydrophobicContact CD1-CD2 4.46Å; I9-Y68 HydrophobicContact CD1-CG 4.49Å
10	T	94.9	Very high	93.9	Very high	78 Å²	78	80.6 Å²	80.6	48%	0.479	45%	0.453	S	S	.	.			trans	-98.1	-18.5	-174.3	66.7	0	0	0	0	113.6	T65 I66 V97	T10-T65 VanDerWaalsContact OG1-CA 3.28Å; T10-T65 WeakPolarHBondContact OG1-CA 3.1Å; T10-T65 VanDerWaalsContact OG1-CB 3.32Å; T10-T65 WeakPolarHBondContact OG1-CB 3.32Å; T10-I66 HydrophobicContact CG2-CB 4.44Å; T10-I66 PolarHBondContact N-O 3.01Å; T10-I66 PolarHBondContact OG1-N 3.02Å; T10-I66 PolarHBondContact OG1-O 3.38Å; T10-V97 HydrophobicContact CG2-CG2 3.79Å
11	T	93.9	Very high	94	Very high	38 Å²	38	82.7 Å²	82.7	23%	0.233	47%	0.47	C	S	.	.			trans	-144.3	149.9	175.7	-173.4	0	0	0	0	112.5	I9 T13 T65 E67	I9-T11 VanDerWaalsContact CG2-O 3.25Å; I9-T11 WeakPolarHBondContact CG2-O 3.37Å; T11-T13 PolarHBondContact OG1-N 3.34Å; T11-T13 PolarHBondContact OG1-OG1 3.2Å; T11-T65 HydrophobicContact CG2-CG2 3.84Å; T11-E67 HydrophobicContact CG2-CG 3.57Å
12	S	92.9	Very high	94.4	Very high	112 Å²	112	79.7 Å²	79.7	78%	0.783	46%	0.456	S	S	*	.	S	Bend	trans	-95.7	-15.2	176.4	59.7	0	0	0	0	113
13	T	94.8	Very high	94.4	Very high	96 Å²	96	84.9 Å²	84.9	59%	0.589	47%	0.473	S	S	*	.	S	Bend	trans	-107.4	120.1	-176.3	56.2	0	0	0	0	111.1	T11	T11-T13 PolarHBondContact OG1-N 3.34Å; T11-T13 PolarHBondContact OG1-OG1 3.2Å
14	P	96.8	Very high	94.4	Very high	39 Å²	39	84.1 Å²	84.1	25%	0.253	46%	0.462	S	S	.	.			trans	-78.2	159.6	178	31.4	-35	0	0	0	113	K16 L19	P14-K16 PolarHBondContact O-N 2.87Å; P14-L19 HydrophobicContact CB-CD2 4Å; P14-L19 HydrophobicContact CG-CD1 3.96Å; P14-L19 HydrophobicContact CG-CD2 4.01Å; P14-L19 HydrophobicContact CG-CG 4.47Å
15	E	96.4	Very high	94.5	Very high	43 Å²	43	87.2 Å²	87.2	20%	0.201	48%	0.477	C	S	.	.			trans	-66.4	115.2	173.6	-178.5	67.4	-157.3	0	0	110.7	T17 L18 L78 K86 Y88	E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 WeakPolarHBondContact CG-OG1 3.36Å; E15-T17 PolarHBondContact O-N 2.91Å; E15-T17 PolarHBondContact OE1-OG1 3.36Å; E15-L18 HydrophobicContact CB-CD1 4.45Å; E15-L18 HydrophobicContact CG-CD1 4.29Å; E15-L18 HydrophobicContact CG-CG 4.29Å; E15-L18 PolarHBondContact O-N 3.27Å; E15-L18 VanDerWaalsContact O-N 3.16Å; E15-L78 HydrophobicContact CB-CD1 4.16Å; E15-L78 HydrophobicContact CB-CD2 4.32Å; E15-K86 HydrophobicContact CG-CD 4.03Å; E15-K86 IonicContact OE1-NZ 2.72Å; E15-K86 PolarHBondContact OE1-NZ 2.85Å; E15-K86 IonicContact OE2-NZ 2.61Å; E15-K86 PolarHBondContact OE2-NZ 3.37Å; E15-Y88 HydrophobicContact CB-CE2 4.37Å; E15-Y88 PolarHBondContact N-OH 3.33Å
16	K	96	Very high	94.6	Very high	184 Å²	184	82.9 Å²	82.9	80%	0.8	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.1	-172.9	-71.2	-177.4	-179.6	175.5	0	113.8	P14 L18 L19	P14-K16 PolarHBondContact O-N 2.87Å; K16-L18 PolarHBondContact O-N 3Å; K16-L19 PolarHBondContact O-N 2.88Å
17	T	96.4	Very high	94.8	Very high	110 Å²	110	78.8 Å²	78.8	68%	0.675	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22	-176.5	55.6	0	0	0	0	113.2	E15	E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 WeakPolarHBondContact CG-OG1 3.36Å; E15-T17 PolarHBondContact O-N 2.91Å; E15-T17 PolarHBondContact OE1-OG1 3.36Å
18	L	97.1	Very high	95	Very high	25 Å²	25	81.4 Å²	81.4	13%	0.131	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-101.7	12.9	-178	-62.1	177.3	0	0	0	113.1	E15 K16 V49 L78 K86 Y88	E15-L18 HydrophobicContact CB-CD1 4.45Å; E15-L18 HydrophobicContact CG-CD1 4.29Å; E15-L18 HydrophobicContact CG-CG 4.29Å; E15-L18 PolarHBondContact O-N 3.27Å; E15-L18 VanDerWaalsContact O-N 3.16Å; K16-L18 PolarHBondContact O-N 3Å; L18-V49 PolarHBondContact O-N 2.83Å; L18-L78 HydrophobicContact CD1-CD1 3.93Å; L18-K86 HydrophobicContact CD1-CB 4.34Å; L18-Y88 HydrophobicContact CB-CD2 3.79Å; L18-Y88 HydrophobicContact CB-CE2 3.71Å; L18-Y88 HydrophobicContact CD1-CD2 3.62Å; L18-Y88 HydrophobicContact CD1-CE2 3.82Å; L18-Y88 HydrophobicContact CD1-CG 4.29Å; L18-Y88 HydrophobicContact CG-CD2 4.37Å; L18-Y88 HydrophobicContact CG-CE2 4.43Å
19	L	97.2	Very high	95.3	Very high	40 Å²	40	79.7 Å²	79.7	21%	0.209	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.8	177	-63.2	175.5	0	0	0	111.6	P14 K16 Q46 R48	P14-L19 HydrophobicContact CB-CD2 4Å; P14-L19 HydrophobicContact CG-CD1 3.96Å; P14-L19 HydrophobicContact CG-CD2 4.01Å; P14-L19 HydrophobicContact CG-CG 4.47Å; K16-L19 PolarHBondContact O-N 2.88Å; L19-Q46 HydrophobicContact CD2-CB 4.37Å; L19-R48 HydrophobicContact CD2-CG 4.08Å
20	Q	96.9	Very high	95.4	Very high	100 Å²	100	85.1 Å²	85.1	47%	0.467	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148	172.1	-70	179.9	-13.8	0	0	110.9	L22 Q46 Y47 V49	Q20-L22 PolarHBondContact O-N 2.89Å; Q20-Q46 CarbonylContact O-C 3.46Å; Q20-Y47 HydrophobicContact CB-CD1 4.3Å; Q20-Y47 PolarHBondContact N-O 2.85Å; Q20-Y47 PolarHBondContact O-N 2.87Å; Q20-V49 VanDerWaalsContact CD-CG2 3.42Å; Q20-V49 HydrophobicContact CG-CG2 3.76Å
21	P	96.3	Very high	95.5	Very high	125 Å²	125	86.7 Å²	86.7	81%	0.812	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.3	174.1	27.4	-33.3	0	0	0	110.5
22	L	95.2	Very high	95.6	Very high	64 Å²	64	86.9 Å²	86.9	34%	0.335	48%	0.476	S	S	.	.			trans	-105.6	106	176.3	-174.7	65.3	0	0	0	110.5	Q20 R45 N71	Q20-L22 PolarHBondContact O-N 2.89Å; L22-R45 HydrophobicContact CD2-CB 4.47Å; L22-N71 WeakPolarHBondContact CD2-OD1 3.41Å
23	K	92.3	Very high	95.8	Very high	178 Å²	178	90.2 Å²	90.2	77%	0.774	47%	0.471	S	S	*	.			trans	-68.3	136	175	-170.4	175.5	178.7	174.7	0	110.7
24	N	90.6	Very high	95.9	Very high	71 Å²	71	90 Å²	90	38%	0.38	47%	0.466	S	S	.	.			trans	-108.1	117.6	175.6	-176.4	9.1	0	0	0	110.2	A26 G41	N24-A26 PolarHBondContact OD1-N 3.07Å; N24-A26 VanDerWaalsContact OD1-N 3.1Å; N24-G41 PolarHBondContact ND2-O 2.87Å
25	N	93.5	Very high	95.9	Very high	88 Å²	88	92.1 Å²	92.1	47%	0.471	48%	0.478	S	S	.	.			trans	-98.3	0.6	-179.1	-62.1	-20.7	0	0	0	113.4	G27 R28	N25-G27 PolarHBondContact O-N 3.29Å; N25-G27 VanDerWaalsContact O-N 3.1Å; N25-R28 WeakPolarHBondContact O-CB 3.49Å; N25-R28 PolarHBondContact O-N 2.76Å
26	A	95.2	Very high	96	Very high	32 Å²	32	93.9 Å²	93.9	26%	0.264	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	35.3	-179.4	0	0	0	0	0	114.7	N24	N24-A26 PolarHBondContact OD1-N 3.07Å; N24-A26 VanDerWaalsContact OD1-N 3.1Å
27	G	95.2	Very high	96	Very high	18 Å²	18	89.8 Å²	89.8	19%	0.186	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	13	179.3	0	0	0	0	0	115.4	N25 T35 V36	N25-G27 PolarHBondContact O-N 3.29Å; N25-G27 VanDerWaalsContact O-N 3.1Å; G27-T35 PolarHBondContact O-N 2.67Å; G27-T35 PolarHBondContact O-OG1 2.91Å; G27-V36 PolarHBondContact O-N 2.63Å
28	R	97.8	Very high	95.9	Very high	138 Å²	138	86.8 Å²	86.8	52%	0.521	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-93.7	148.9	176.1	-63.8	174.3	172.1	-179.2	-3.1	112.5	N25 G32 R33 I34	N25-R28 WeakPolarHBondContact O-CB 3.49Å; N25-R28 PolarHBondContact O-N 2.76Å; R28-G32 WeakPolarHBondContact CD-O 3.36Å; R28-R33 CarbonylContact C-O 3.56Å; R28-R33 WeakPolarHBondContact CA-O 3.41Å; R28-I34 HydrophobicContact CG-CG1 3.93Å
29	N	97.3	Very high	95.9	Very high	58 Å²	58	89.1 Å²	89.1	31%	0.31	46%	0.46	S	S	.	.			trans	-86.2	-175.4	172.1	72.8	-9.3	0	0	0	112.2	N31 G32 R33 T35	N29-N31 PolarHBondContact O-N 2.72Å; N29-N31 PolarHBondContact OD1-N 3.16Å; N29-N31 VanDerWaalsContact OD1-N 3.15Å; N29-G32 PolarHBondContact O-N 2.88Å; N29-G32 PolarHBondContact OD1-N 3.37Å; N29-R33 PolarHBondContact N-O 3.36Å; N29-R33 PolarHBondContact OD1-N 2.81Å; N29-R33 PolarHBondContact OD1-O 2.92Å; N29-T35 HydrophobicContact CB-CG2 3.84Å
30	N	97.1	Very high	95.7	Very high	150 Å²	150	87.3 Å²	87.3	80%	0.802	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.2	176.4	60	-20.3	0	0	0	114	G32	N30-G32 PolarHBondContact O-N 2.86Å
31	N	97.6	Very high	95.6	Very high	111 Å²	111	84.6 Å²	84.6	59%	0.594	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	6.6	175.6	-60.7	-7.3	0	0	0	112.9	N29 R33	N29-N31 PolarHBondContact O-N 2.72Å; N29-N31 PolarHBondContact OD1-N 3.16Å; N29-N31 VanDerWaalsContact OD1-N 3.15Å; N31-R33 PolarHBondContact O-N 3.41Å
32	G	95.5	Very high	95.5	Very high	43 Å²	43	80.5 Å²	80.5	44%	0.443	43%	0.43	S	S	.	.	S	Bend	trans	73.6	2.6	-179	0	0	0	0	0	115	R28 N29 N30	R28-G32 WeakPolarHBondContact CD-O 3.36Å; N29-G32 PolarHBondContact O-N 2.88Å; N29-G32 PolarHBondContact OD1-N 3.37Å; N30-G32 PolarHBondContact O-N 2.86Å
33	R	97.2	Very high	95.5	Very high	181 Å²	181	84.1 Å²	84.1	68%	0.683	45%	0.445	S	S	*	.			trans	-83.5	142.5	-179.9	-63.1	-174.3	-178	170.5	0.3	110.9	R28 N29 N31 T35	R28-R33 CarbonylContact C-O 3.56Å; R28-R33 WeakPolarHBondContact CA-O 3.41Å; N29-R33 PolarHBondContact N-O 3.36Å; N29-R33 PolarHBondContact OD1-N 2.81Å; N29-R33 PolarHBondContact OD1-O 2.92Å; N31-R33 PolarHBondContact O-N 3.41Å; R33-T35 PolarHBondContact O-N 2.78Å
34	I	97	Very high	95.6	Very high	93 Å²	93	84.4 Å²	84.4	48%	0.477	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-70.9	115.1	174.6	-59.2	176	0	0	0	108.5	R28 R37	R28-I34 HydrophobicContact CG-CG1 3.93Å; I34-R37 HydrophobicContact CG2-CG 4.5Å
35	T	97.1	Very high	95.8	Very high	83 Å²	83	83.6 Å²	83.6	51%	0.509	44%	0.438	S	S	.	.	S	Bend	trans	-107.8	-26.3	175.9	55.3	0	0	0	0	111.9	G27 N29 R33	G27-T35 PolarHBondContact O-N 2.67Å; G27-T35 PolarHBondContact O-OG1 2.91Å; N29-T35 HydrophobicContact CB-CG2 3.84Å; R33-T35 PolarHBondContact O-N 2.78Å
36	V	96.8	Very high	96	Very high	80 Å²	80	84.3 Å²	84.3	49%	0.485	44%	0.439	S	S	.	.	S	Bend	trans	-118.3	115.4	170.4	-175.4	0	0	0	0	108.7	G27 Q39	G27-V36 PolarHBondContact O-N 2.63Å; V36-Q39 HydrophobicContact CB-CG 4.39Å; V36-Q39 HydrophobicContact CG1-CG 3.81Å
37	R	96.1	Very high	96.1	Very high	97 Å²	97	86.4 Å²	86.4	37%	0.366	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	156	-177.8	-61.1	-178.9	-64.2	164.9	3.9	111.7	I34 Q39 P234	I34-R37 HydrophobicContact CG2-CG 4.5Å; R37-Q39 VanDerWaalsContact C-N 3.28Å; R37-Q39 PolarHBondContact O-N 2.85Å; R37-P234 VanDerWaalsContact CZ-CG 3.4Å
38	H	95.9	Very high	96.2	Very high	48 Å²	48	86.5 Å²	86.5	22%	0.222	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	27.9	169.8	-40.3	117.9	0	0	0	115.5	R202 P203 T204	H38-R202 HydrophobicContact CB-CB 4.3Å; H38-R202 WeakPolarHBondContact O-CB 3.47Å; H38-R202 PolarHBondContact O-N 3.47Å; H38-P203 PolarHBondContact CD2-O 3.04Å; H38-T204 VanDerWaalsContact CG-OG1 3.3Å; H38-T204 PolarHBondContact ND1-OG1 3.41Å
39	Q	95.9	Very high	96.2	Very high	73 Å²	73	82.2 Å²	82.2	34%	0.341	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-104.1	149.7	170.6	-57.1	-56.5	-42.7	0	0	110.8	V36 R37 R200 R202	V36-Q39 HydrophobicContact CB-CG 4.39Å; V36-Q39 HydrophobicContact CG1-CG 3.81Å; R37-Q39 VanDerWaalsContact C-N 3.28Å; R37-Q39 PolarHBondContact O-N 2.85Å; Q39-R200 PolarHBondContact OE1-O 3.34Å; Q39-R202 WeakPolarHBondContact O-CD 3.39Å
40	G	94.2	Very high	96.2	Very high	2 Å²	2	80.1 Å²	80.1	2%	0.021	41%	0.413	C	S	.	.			trans	130.4	172	171.7	0	0	0	0	0	115	R200	G40-R200 PolarHBondContact N-O 3.03Å; G40-R200 CarbonylContact O-C 3.24Å; G40-R200 WeakPolarHBondContact O-CA 3.39Å
41	G	93.1	Very high	96.2	Very high	44 Å²	44	74.3 Å²	74.3	45%	0.454	38%	0.382	S	S	.	.			trans	67.9	-146.1	-167.7	0	0	0	0	0	111.6	N24 R200	N24-G41 PolarHBondContact ND2-O 2.87Å; G41-R200 WeakPolarHBondContact O-CG 3.35Å
42	G	93.9	Very high	96.1	Very high	39 Å²	39	71 Å²	71	40%	0.402	36%	0.362	S	S	.	.			trans	75.6	177.7	176.6	0	0	0	0	0	114.5	R197 W198	G42-R197 WeakPolarHBondContact CA-O 3.46Å; G42-R197 PolarHBondContact N-O 2.87Å; G42-W198 WeakPolarHBondContact CA-O 3.45Å
43	H	95.5	Very high	96.2	Very high	139 Å²	139	73.7 Å²	73.7	64%	0.644	36%	0.361	S	S	*	.			trans	-71.5	147.2	-174	-159.4	-85.3	0	0	0	112.1	W198 R200	H43-W198 PolarHBondContact N-O 2.8Å; H43-W198 VanDerWaalsContact N-O 3.13Å; H43-R200 PolarHBondContact O-NH2 3.35Å; H43-R200 VanDerWaalsContact O-NH2 3.12Å
44	K	95.5	Very high	96	Very high	185 Å²	185	65.3 Å²	65.3	80%	0.804	33%	0.33	S	S	*	.			trans	-63.6	137.7	170.7	-166.8	177.9	-177.2	-178.7	0	108.8
45	R	95.2	Very high	95.7	Very high	54 Å²	54	65.6 Å²	65.6	20%	0.204	33%	0.333	C	S	.	.			trans	-136.7	148.2	-179.5	-61.9	174.8	-176.3	178.9	1	108.4	L22 P70 N71	L22-R45 HydrophobicContact CD2-CB 4.47Å; R45-P70 HydrophobicContact CB-CG 4.35Å; R45-P70 HydrophobicContact CG-CB 4.04Å; R45-P70 HydrophobicContact CG-CG 4.15Å; R45-P70 PolarHBondContact NE-O 3.21Å; R45-P70 PolarHBondContact NH1-O 2.81Å; R45-N71 WeakPolarHBondContact CB-OD1 3.21Å
46	Q	96.2	Very high	95.6	Very high	103 Å²	103	64 Å²	64	48%	0.481	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.9	166.6	-71.4	171.2	-44.6	0	0	108.2	L19 Q20 N71	L19-Q46 HydrophobicContact CD2-CB 4.37Å; Q20-Q46 CarbonylContact O-C 3.46Å; Q46-N71 PolarHBondContact O-ND2 3.38Å
47	Y	97.8	Very high	95.4	Very high	75 Å²	75	63.3 Å²	63.3	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.1	173.7	-177.2	-110.2	0	0	0	109.4	Q20 V49	Q20-Y47 HydrophobicContact CB-CD1 4.3Å; Q20-Y47 PolarHBondContact N-O 2.85Å; Q20-Y47 PolarHBondContact O-N 2.87Å; Y47-V49 HydrophobicContact CD1-CG2 4.17Å; Y47-V49 HydrophobicContact CE1-CG2 4.2Å
48	R	97.6	Very high	95.2	Very high	21 Å²	21	63.9 Å²	63.9	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119	171.4	-58.3	-176.3	-179.2	-158.5	-7.5	108.5	L19 I50 E67 Y68 D69 R72 I76 Y88	L19-R48 HydrophobicContact CD2-CG 4.08Å; R48-I50 PolarHBondContact O-N 3.35Å; R48-E67 IonicContact CZ-OE2 3.85Å; R48-E67 IonicContact NH1-OE2 2.87Å; R48-E67 PolarHBondContact NH1-OE2 3.22Å; R48-E67 IonicContact NH2-OE2 3.51Å; R48-Y68 PolarHBondContact NH1-O 3.26Å; R48-Y68 PolarHBondContact NH2-O 3.38Å; R48-D69 WeakPolarHBondContact CD-OD1 3.25Å; R48-D69 IonicContact NE-OD1 2.67Å; R48-R72 PolarHBondContact O-NH2 2.85Å; R48-I76 HydrophobicContact CB-CD1 4.08Å; R48-I76 HydrophobicContact CG-CD1 4.37Å; R48-Y88 HydrophobicContact CB-CD2 4.31Å
49	V	97.3	Very high	95.2	Very high	48 Å²	48	63.1 Å²	63.1	29%	0.291	32%	0.321	S	S	.	.			trans	-71.1	108.3	-178.5	-177.6	0	0	0	0	108.9	L18 Q20 Y47	L18-V49 PolarHBondContact O-N 2.83Å; Q20-V49 VanDerWaalsContact CD-CG2 3.42Å; Q20-V49 HydrophobicContact CG-CG2 3.76Å; Y47-V49 HydrophobicContact CD1-CG2 4.17Å; Y47-V49 HydrophobicContact CE1-CG2 4.2Å
50	I	97.3	Very high	95.2	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.067	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-93.2	135.9	174.6	-56.8	174.8	0	0	0	109.3	R48 F52 R72 I76 Y88 L90	R48-I50 PolarHBondContact O-N 3.35Å; I50-F52 HydrophobicContact CB-CD2 4.2Å; I50-F52 HydrophobicContact CB-CE1 4.25Å; I50-F52 HydrophobicContact CB-CE2 3.89Å; I50-F52 HydrophobicContact CB-CZ 3.93Å; I50-F52 HydrophobicContact CD1-CE1 3.85Å; I50-F52 HydrophobicContact CD1-CE2 4.16Å; I50-F52 HydrophobicContact CD1-CZ 3.44Å; I50-F52 VanDerWaalsContact CD1-CZ 3.44Å; I50-F52 HydrophobicContact CG1-CZ 4.24Å; I50-F52 HydrophobicContact CG2-CD1 4Å; I50-F52 HydrophobicContact CG2-CD2 4.44Å; I50-F52 HydrophobicContact CG2-CE1 3.92Å; I50-F52 HydrophobicContact CG2-CE2 4.37Å; I50-F52 HydrophobicContact CG2-CG 4.27Å; I50-F52 HydrophobicContact CG2-CZ 4.13Å; I50-F52 PolarHBondContact O-N 2.75Å; I50-R72 VanDerWaalsContact CD1-NH2 3.34Å; I50-I76 HydrophobicContact CD1-CG2 4.11Å; I50-I76 HydrophobicContact CG1-CG2 4.42Å; I50-Y88 CarbonylContact C-O 3.57Å; I50-Y88 WeakPolarHBondContact CA-O 3.48Å; I50-Y88 VanDerWaalsContact CG2-O 3.27Å; I50-Y88 WeakPolarHBondContact CG2-O 3.47Å; I50-L90 HydrophobicContact CD1-CD2 3.71Å
51	D	96.9	Very high	95.3	Very high	29 Å²	29	62.4 Å²	62.4	16%	0.155	32%	0.321	C	S	.	.			trans	-73.9	93.9	159	179.7	19.2	0	0	0	111.6	K53 R54 A87 Y88	D51-K53 VanDerWaalsContact C-N 3.34Å; D51-K53 WeakPolarHBondContact OD1-CA 3.21Å; D51-K53 PolarHBondContact OD1-N 3.22Å; D51-R54 PolarHBondContact OD1-N 3.18Å; D51-R54 VanDerWaalsContact OD2-CA 3.25Å; D51-R54 WeakPolarHBondContact OD2-CA 3.12Å; D51-R54 PolarHBondContact OD2-N 2.9Å; D51-A87 HydrophobicContact CB-CB 4.15Å; D51-Y88 PolarHBondContact N-O 2.97Å
52	F	97.2	Very high	95.5	Very high	40 Å²	40	62.6 Å²	62.6	18%	0.175	31%	0.313	C	S	.	.	S	Bend	trans	-81.7	-11.9	171.1	-69.6	-64	0	0	0	113.4	I50 L90 N128 G136 G137 R141	I50-F52 HydrophobicContact CB-CD2 4.2Å; I50-F52 HydrophobicContact CB-CE1 4.25Å; I50-F52 HydrophobicContact CB-CE2 3.89Å; I50-F52 HydrophobicContact CB-CZ 3.93Å; I50-F52 HydrophobicContact CD1-CE1 3.85Å; I50-F52 HydrophobicContact CD1-CE2 4.16Å; I50-F52 HydrophobicContact CD1-CZ 3.44Å; I50-F52 VanDerWaalsContact CD1-CZ 3.44Å; I50-F52 HydrophobicContact CG1-CZ 4.24Å; I50-F52 HydrophobicContact CG2-CD1 4Å; I50-F52 HydrophobicContact CG2-CD2 4.44Å; I50-F52 HydrophobicContact CG2-CE1 3.92Å; I50-F52 HydrophobicContact CG2-CE2 4.37Å; I50-F52 HydrophobicContact CG2-CG 4.27Å; I50-F52 HydrophobicContact CG2-CZ 4.13Å; I50-F52 PolarHBondContact O-N 2.75Å; F52-L90 HydrophobicContact CE1-CD1 4.11Å; F52-L90 HydrophobicContact CE1-CD2 4.24Å; F52-L90 HydrophobicContact CE1-CG 4.14Å; F52-N128 WeakPolarHBondContact CD1-OD1 3.32Å; F52-N128 PolarHBondContact O-ND2 2.87Å; F52-G136 WeakPolarHBondContact O-CA 3.26Å; F52-G137 PolarHBondContact O-N 3.38Å; F52-R141 HydrophobicContact CE1-CG 4.48Å
53	K	95.6	Very high	95.7	Very high	100 Å²	100	60.8 Å²	60.8	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-89.1	-35.1	-174.2	-69.6	-178.6	177	-179.4	0	112	D51 N55 G134	D51-K53 VanDerWaalsContact C-N 3.34Å; D51-K53 WeakPolarHBondContact OD1-CA 3.21Å; D51-K53 PolarHBondContact OD1-N 3.22Å; K53-N55 HydrophobicContact CB-CB 4.19Å; K53-N55 PolarHBondContact O-N 2.86Å; K53-G134 WeakPolarHBondContact CE-O 3.25Å
54	R	94.1	Very high	95.7	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.019	28%	0.281	C	S	.	.			trans	50.8	47.1	-176.9	-62.4	-73.5	-71.6	159.2	-2.9	110.5	D51 Y81 S103 G112 A114 R174	D51-R54 PolarHBondContact OD1-N 3.18Å; D51-R54 VanDerWaalsContact OD2-CA 3.25Å; D51-R54 WeakPolarHBondContact OD2-CA 3.12Å; D51-R54 PolarHBondContact OD2-N 2.9Å; R54-Y81 PolarHBondContact NH1-OH 3.39Å; R54-S103 PolarHBondContact NE-OG 2.87Å; R54-S103 PolarHBondContact NH2-OG 3.4Å; R54-S103 VanDerWaalsContact O-CB 3.31Å; R54-S103 WeakPolarHBondContact O-CB 3.38Å; R54-G112 PolarHBondContact NH2-O 3.15Å; R54-A114 HydrophobicContact CB-CB 3.69Å; R54-A114 HydrophobicContact CG-CB 4.08Å; R54-R174 PolarHBondContact O-NH1 2.79Å
55	N	91.6	Very high	95.8	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	25%	0.251	S	S	.	.			trans	-91.1	-3.2	-169.9	65.6	-33.6	0	0	0	114.4	K53 D57	K53-N55 HydrophobicContact CB-CB 4.19Å; K53-N55 PolarHBondContact O-N 2.86Å; N55-D57 VanDerWaalsContact C-N 3.34Å; N55-D57 PolarHBondContact O-N 2.86Å; N55-D57 VanDerWaalsContact O-N 3.07Å
56	K	93.3	Very high	95.9	Very high	49 Å²	49	48.4 Å²	48.4	21%	0.213	24%	0.244	C	C	.	.			trans	-78.4	85.5	172.3	-71.3	-166.8	171.3	-148	0	110	V59 Y81 D83	K56-V59 HydrophobicContact CB-CB 4.36Å; K56-V59 HydrophobicContact CB-CG2 4.42Å; K56-Y81 HydrophobicContact CB-CD1 4.19Å; K56-Y81 HydrophobicContact CB-CE1 3.7Å; K56-Y81 HydrophobicContact CD-CD1 3.74Å; K56-Y81 HydrophobicContact CD-CD2 4.07Å; K56-Y81 HydrophobicContact CD-CE1 3.78Å; K56-Y81 HydrophobicContact CD-CE2 4.11Å; K56-Y81 HydrophobicContact CD-CG 3.88Å; K56-Y81 HydrophobicContact CG-CE1 4.3Å; K56-D83 IonicContact NZ-OD1 3.67Å; K56-D83 PolarHBondContact NZ-OD1 2.92Å; K56-D83 IonicContact NZ-OD2 3.43Å; K56-D83 PolarHBondContact NZ-OD2 3.18Å
57	D	93	Very high	96	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.353	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-73.4	139.6	-178.6	-68.4	-19.8	0	0	0	111.9	N55 V59 S103 R174	N55-D57 VanDerWaalsContact C-N 3.34Å; N55-D57 PolarHBondContact O-N 2.86Å; N55-D57 VanDerWaalsContact O-N 3.07Å; D57-V59 PolarHBondContact O-N 2.69Å; D57-S103 CarbonylContact C-O 3.49Å; D57-S103 VanDerWaalsContact CA-O 3.25Å; D57-S103 WeakPolarHBondContact CA-O 3.26Å; D57-R174 IonicContact OD1-CZ 3.38Å; D57-R174 IonicContact OD1-NH1 2.94Å; D57-R174 PolarHBondContact OD1-NH1 2.93Å; D57-R174 IonicContact OD1-NH2 2.85Å; D57-R174 PolarHBondContact OD1-NH2 2.9Å; D57-R174 IonicContact OD2-CZ 3.85Å; D57-R174 IonicContact OD2-NH1 2.75Å; D57-R174 IonicContact OD2-NH2 3.01Å; D57-R174 PolarHBondContact OD2-NH2 2.97Å
58	N	92.4	Very high	95.9	Very high	108 Å²	108	45 Å²	45	58%	0.578	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	12.7	176.7	-54.9	-28.9	0	0	0	114.7	S103	N58-S103 PolarHBondContact N-O 3.47Å
59	V	94.7	Very high	95.9	Very high	33 Å²	33	44 Å²	44	20%	0.2	22%	0.224	C	C	.	.			trans	-98	117.9	172.1	-171.2	0	0	0	0	108.7	K56 D57 Y81 S82	K56-V59 HydrophobicContact CB-CB 4.36Å; K56-V59 HydrophobicContact CB-CG2 4.42Å; D57-V59 PolarHBondContact O-N 2.69Å; V59-Y81 HydrophobicContact CB-CD1 4.07Å; V59-Y81 HydrophobicContact CG1-CD1 3.78Å; V59-Y81 HydrophobicContact CG1-CG 4.38Å; V59-S82 WeakPolarHBondContact CG1-OG 3.27Å
60	V	96.2	Very high	95.9	Very high	60 Å²	60	43.1 Å²	43.1	36%	0.364	22%	0.219	S	C	.	.			trans	-69.2	134.3	176.6	-175.2	0	0	0	0	109.4	Y81 S82 T100 V102	V60-Y81 CarbonylContact O-C 3.45Å; V60-Y81 WeakPolarHBondContact O-CA 3.49Å; V60-S82 PolarHBondContact O-N 3.25Å; V60-T100 HydrophobicContact CG1-CG2 3.96Å; V60-V102 HydrophobicContact CB-CG2 4.38Å; V60-V102 HydrophobicContact CG1-CG2 4.4Å; V60-V102 HydrophobicContact CG2-CG2 3.94Å
61	A	97.1	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.8	170.3	0	0	0	0	0	110.7	V79 H80 Y81 T100 I101	A61-V79 HydrophobicContact CB-CB 4.05Å; A61-V79 HydrophobicContact CB-CG2 4.37Å; A61-H80 CarbonylContact C-O 3.59Å; A61-H80 WeakPolarHBondContact CA-O 3.28Å; A61-Y81 HydrophobicContact CB-CD1 3.64Å; A61-Y81 HydrophobicContact CB-CD2 4.3Å; A61-Y81 HydrophobicContact CB-CE1 3.81Å; A61-Y81 HydrophobicContact CB-CE2 4.43Å; A61-Y81 HydrophobicContact CB-CG 3.91Å; A61-T100 CarbonylContact O-C 3.54Å; A61-T100 WeakPolarHBondContact O-CA 3.4Å; A61-I101 HydrophobicContact CB-CG1 3.99Å; A61-I101 PolarHBondContact N-O 2.83Å; A61-I101 WeakPolarHBondContact O-CG1 3.41Å; A61-I101 PolarHBondContact O-N 3.21Å
62	T	97.5	Very high	95.8	Very high	47 Å²	47	45.6 Å²	45.6	29%	0.288	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132	175	-52.6	0	0	0	0	109.5	Q64 V79 H80	T62-Q64 PolarHBondContact O-N 3.36Å; T62-V79 WeakPolarHBondContact O-CA 3.32Å; T62-H80 PolarHBondContact N-O 3.07Å; T62-H80 PolarHBondContact O-N 2.94Å
63	V	97.4	Very high	95.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.9	174.2	-179.2	0	0	0	0	108.8	A77 V79 L95 G98 M99 I101	V63-A77 HydrophobicContact CG1-CB 4.19Å; V63-V79 HydrophobicContact CG2-CG1 4.16Å; V63-L95 HydrophobicContact CG1-CD2 4.2Å; V63-L95 HydrophobicContact CG1-CG 4.44Å; V63-L95 HydrophobicContact CG2-CD1 3.89Å; V63-L95 HydrophobicContact CG2-CD2 3.78Å; V63-L95 HydrophobicContact CG2-CG 3.92Å; V63-G98 PolarHBondContact O-N 3.25Å; V63-M99 HydrophobicContact CG2-CB 4.45Å; V63-M99 WeakPolarHBondContact CG2-O 3.39Å; V63-M99 PolarHBondContact N-O 2.67Å; V63-I101 HydrophobicContact CG2-CG2 4.44Å
64	Q	96.9	Very high	95.8	Very high	78 Å²	78	40.3 Å²	40.3	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-45.6	-177.8	-68.6	-67.8	-31.1	0	0	112.2	T62 L78 H80 V97	T62-Q64 PolarHBondContact O-N 3.36Å; Q64-L78 PolarHBondContact N-O 3.37Å; Q64-H80 HydrophobicContact CG-CB 3.97Å; Q64-H80 VanDerWaalsContact CG-CG 3.41Å; Q64-H80 WeakPolarHBondContact CG-ND1 3.31Å; Q64-V97 WeakPolarHBondContact O-CG1 3.49Å
65	T	97.3	Very high	96	Very high	27 Å²	27	40.5 Å²	40.5	17%	0.166	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.4	-177.4	59	0	0	0	0	110.8	T10 T11 E67 A77 L78	T10-T65 VanDerWaalsContact OG1-CA 3.28Å; T10-T65 WeakPolarHBondContact OG1-CA 3.1Å; T10-T65 VanDerWaalsContact OG1-CB 3.32Å; T10-T65 WeakPolarHBondContact OG1-CB 3.32Å; T11-T65 HydrophobicContact CG2-CG2 3.84Å; T65-E67 PolarHBondContact OG1-OE1 3.02Å; T65-A77 CarbonylContact O-C 3.58Å; T65-A77 VanDerWaalsContact O-CA 3.27Å; T65-A77 WeakPolarHBondContact O-CA 3.34Å; T65-L78 PolarHBondContact O-N 3.12Å; T65-L78 WeakPolarHBondContact OG1-CB 3.25Å
66	I	97.2	Very high	96.3	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.3	167.9	-61.1	171.4	0	0	0	106.8	E8 I9 T10 N75 I76 A91 L95 V97	E8-I66 VanDerWaalsContact O-CB 3.31Å; E8-I66 WeakPolarHBondContact O-CB 3.27Å; E8-I66 VanDerWaalsContact O-CG2 3.3Å; E8-I66 WeakPolarHBondContact O-CG2 3.25Å; I9-I66 WeakPolarHBondContact CA-O 3.35Å; T10-I66 HydrophobicContact CG2-CB 4.44Å; T10-I66 PolarHBondContact N-O 3.01Å; T10-I66 PolarHBondContact OG1-N 3.02Å; T10-I66 PolarHBondContact OG1-O 3.38Å; I66-N75 HydrophobicContact CG2-CB 4.29Å; I66-I76 CarbonylContact C-O 3.54Å; I66-I76 WeakPolarHBondContact CA-O 3.36Å; I66-A91 HydrophobicContact CG2-CB 4.45Å; I66-L95 WeakPolarHBondContact CD1-O 3.49Å; I66-V97 HydrophobicContact CG1-CG2 4.44Å
67	E	97.4	Very high	96.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.8	-169.3	-57.1	-174	-157.3	0	0	112.7	T11 R48 T65 I76 Y88	T11-E67 HydrophobicContact CG2-CG 3.57Å; R48-E67 IonicContact CZ-OE2 3.85Å; R48-E67 IonicContact NH1-OE2 2.87Å; R48-E67 PolarHBondContact NH1-OE2 3.22Å; R48-E67 IonicContact NH2-OE2 3.51Å; T65-E67 PolarHBondContact OG1-OE1 3.02Å; E67-I76 HydrophobicContact CB-CG1 4.08Å; E67-I76 PolarHBondContact N-O 3.12Å; E67-I76 PolarHBondContact O-N 3.2Å; E67-Y88 HydrophobicContact CG-CE1 4.38Å; E67-Y88 VanDerWaalsContact OE1-CE1 3.31Å; E67-Y88 WeakPolarHBondContact OE1-CE1 3.31Å; E67-Y88 PolarHBondContact OE1-OH 2.96Å; E67-Y88 PolarHBondContact OE2-OH 2.86Å
68	Y	97	Very high	96.7	Very high	104 Å²	104	30.7 Å²	30.7	41%	0.408	16%	0.16	S	C	.	.			trans	-77.1	121.5	171.9	176.1	-108.7	0	0	0	112.2	F6 I9 R48 P70	F6-Y68 HydrophobicContact CE1-CD2 4.03Å; F6-Y68 HydrophobicContact CE1-CE2 4.19Å; I9-Y68 HydrophobicContact CD1-CD2 4.46Å; I9-Y68 HydrophobicContact CD1-CG 4.49Å; R48-Y68 PolarHBondContact NH1-O 3.26Å; R48-Y68 PolarHBondContact NH2-O 3.38Å; Y68-P70 HydrophobicContact CE1-CB 3.81Å
69	D	97.2	Very high	97	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.133	C	C	.	.			trans	-102.2	121.3	167.1	177.9	58.7	0	0	0	113	R48 N71 R72 I76	R48-D69 WeakPolarHBondContact CD-OD1 3.25Å; R48-D69 IonicContact NE-OD1 2.67Å; D69-N71 PolarHBondContact O-N 3.31Å; D69-N71 PolarHBondContact OD1-ND2 2.72Å; D69-N71 WeakPolarHBondContact OD2-CA 3.26Å; D69-N71 VanDerWaalsContact OD2-CB 3.28Å; D69-N71 WeakPolarHBondContact OD2-CB 3.21Å; D69-N71 PolarHBondContact OD2-N 2.98Å; D69-R72 HydrophobicContact CB-CG 4.05Å; D69-R72 VanDerWaalsContact CB-NH1 3.34Å; D69-R72 VanDerWaalsContact O-O 3.06Å; D69-R72 IonicContact OD1-CZ 3.54Å; D69-R72 IonicContact OD1-NH1 3.15Å; D69-R72 WeakPolarHBondContact OD2-CD 3.45Å; D69-R72 WeakPolarHBondContact OD2-CG 3.45Å; D69-R72 IonicContact OD2-CZ 2.91Å; D69-R72 PolarHBondContact OD2-N 2.89Å; D69-R72 IonicContact OD2-NE 3.21Å; D69-R72 PolarHBondContact OD2-NE 2.91Å; D69-R72 IonicContact OD2-NH1 3.87Å; D69-R72 PolarHBondContact OD2-NH1 3.32Å; D69-R72 IonicContact OD2-NH2 3.71Å; D69-R72 PolarHBondContact OD2-NH2 3.3Å; D69-I76 HydrophobicContact CB-CD1 4.15Å; D69-I76 HydrophobicContact CB-CG1 4.27Å; D69-I76 HydrophobicContact CB-CG2 4.12Å
70	P	95.8	Very high	97.1	Very high	29 Å²	29	26.6 Å²	26.6	19%	0.188	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.8	178.7	31.3	-37.9	0	0	0	114.2	R45 Y68	R45-P70 HydrophobicContact CB-CG 4.35Å; R45-P70 HydrophobicContact CG-CB 4.04Å; R45-P70 HydrophobicContact CG-CG 4.15Å; R45-P70 PolarHBondContact NE-O 3.21Å; R45-P70 PolarHBondContact NH1-O 2.81Å; Y68-P70 HydrophobicContact CE1-CB 3.81Å
71	N	96.5	Very high	97.1	Very high	44 Å²	44	24.1 Å²	24.1	24%	0.235	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.1	-175	-49	-54.4	0	0	0	113.4	L22 R45 Q46 D69	L22-N71 WeakPolarHBondContact CD2-OD1 3.41Å; R45-N71 WeakPolarHBondContact CB-OD1 3.21Å; Q46-N71 PolarHBondContact O-ND2 3.38Å; D69-N71 PolarHBondContact O-N 3.31Å; D69-N71 PolarHBondContact OD1-ND2 2.72Å; D69-N71 WeakPolarHBondContact OD2-CA 3.26Å; D69-N71 VanDerWaalsContact OD2-CB 3.28Å; D69-N71 WeakPolarHBondContact OD2-CB 3.21Å; D69-N71 PolarHBondContact OD2-N 2.98Å
72	R	96.3	Very high	97.1	Very high	51 Å²	51	28.7 Å²	28.7	19%	0.192	15%	0.151	C	C	.	.	S	Bend	trans	-142.8	173.8	176.4	67.9	-153.5	56.8	117.3	-3.4	110	R48 I50 D69 A74 I76	R48-R72 PolarHBondContact O-NH2 2.85Å; I50-R72 VanDerWaalsContact CD1-NH2 3.34Å; D69-R72 HydrophobicContact CB-CG 4.05Å; D69-R72 VanDerWaalsContact CB-NH1 3.34Å; D69-R72 VanDerWaalsContact O-O 3.06Å; D69-R72 IonicContact OD1-CZ 3.54Å; D69-R72 IonicContact OD1-NH1 3.15Å; D69-R72 WeakPolarHBondContact OD2-CD 3.45Å; D69-R72 WeakPolarHBondContact OD2-CG 3.45Å; D69-R72 IonicContact OD2-CZ 2.91Å; D69-R72 PolarHBondContact OD2-N 2.89Å; D69-R72 IonicContact OD2-NE 3.21Å; D69-R72 PolarHBondContact OD2-NE 2.91Å; D69-R72 IonicContact OD2-NH1 3.87Å; D69-R72 PolarHBondContact OD2-NH1 3.32Å; D69-R72 IonicContact OD2-NH2 3.71Å; D69-R72 PolarHBondContact OD2-NH2 3.3Å; R72-A74 HydrophobicContact CG-CB 4.46Å; R72-A74 VanDerWaalsContact CG-O 3.23Å; R72-A74 WeakPolarHBondContact CG-O 3.26Å; R72-I76 VanDerWaalsContact NH1-CG2 3.27Å
73	S	96.8	Very high	96.9	Very high	29 Å²	29	30.5 Å²	30.5	20%	0.203	16%	0.16	C	C	.	.	S	Bend	trans	-84.8	-33	175.4	49.2	0	0	0	0	112.5	A143 N182 H185	S73-A143 PolarHBondContact OG-N 2.97Å; S73-N182 PolarHBondContact O-ND2 2.77Å; S73-H185 WeakPolarHBondContact CB-NE2 3.35Å
74	A	96.9	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-70.7	142.7	178.2	0	0	0	0	0	111.7	R72 L90 V180	R72-A74 HydrophobicContact CG-CB 4.46Å; R72-A74 VanDerWaalsContact CG-O 3.23Å; R72-A74 WeakPolarHBondContact CG-O 3.26Å; A74-L90 HydrophobicContact CB-CD2 4.25Å; A74-V180 HydrophobicContact CB-CG1 3.42Å; A74-V180 VanDerWaalsContact CB-CG1 3.42Å
75	N	97.2	Very high	96.6	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.048	19%	0.191	C	C	.	.			trans	-67.7	161.6	163.4	-65.7	-24	0	0	0	109.5	E8 I66 A91	E8-N75 PolarHBondContact OE2-ND2 2.91Å; I66-N75 HydrophobicContact CG2-CB 4.29Å; N75-A91 HydrophobicContact CB-CB 4.2Å; N75-A91 WeakPolarHBondContact O-CB 3.39Å; N75-A91 PolarHBondContact O-N 2.92Å
76	I	97.8	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.7	176.9	61.1	173.5	0	0	0	110.5	R48 I50 I66 E67 D69 R72 Y88 I89 L90	R48-I76 HydrophobicContact CB-CD1 4.08Å; R48-I76 HydrophobicContact CG-CD1 4.37Å; I50-I76 HydrophobicContact CD1-CG2 4.11Å; I50-I76 HydrophobicContact CG1-CG2 4.42Å; I66-I76 CarbonylContact C-O 3.54Å; I66-I76 WeakPolarHBondContact CA-O 3.36Å; E67-I76 HydrophobicContact CB-CG1 4.08Å; E67-I76 PolarHBondContact N-O 3.12Å; E67-I76 PolarHBondContact O-N 3.2Å; D69-I76 HydrophobicContact CB-CD1 4.15Å; D69-I76 HydrophobicContact CB-CG1 4.27Å; D69-I76 HydrophobicContact CB-CG2 4.12Å; R72-I76 VanDerWaalsContact NH1-CG2 3.27Å; I76-Y88 HydrophobicContact CB-CD1 4.35Å; I76-Y88 HydrophobicContact CD1-CD1 3.38Å; I76-Y88 HydrophobicContact CD1-CD2 4.11Å; I76-Y88 HydrophobicContact CD1-CE1 3.72Å; I76-Y88 HydrophobicContact CD1-CE2 4.39Å; I76-Y88 HydrophobicContact CD1-CG 3.6Å; I76-Y88 HydrophobicContact CG1-CD1 3.9Å; I76-Y88 HydrophobicContact CG1-CE1 4.23Å; I76-Y88 HydrophobicContact CG1-CG 4.5Å; I76-I89 CarbonylContact C-O 3.58Å; I76-I89 WeakPolarHBondContact CA-O 3.44Å; I76-I89 VanDerWaalsContact CB-O 3.23Å; I76-I89 WeakPolarHBondContact CB-O 3.34Å; I76-L90 HydrophobicContact CG2-CD2 4.49Å
77	A	97.7	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.8	173.8	0	0	0	0	0	109.8	V63 T65 Y88 I89 A91 L95	V63-A77 HydrophobicContact CG1-CB 4.19Å; T65-A77 CarbonylContact O-C 3.58Å; T65-A77 VanDerWaalsContact O-CA 3.27Å; T65-A77 WeakPolarHBondContact O-CA 3.34Å; A77-Y88 WeakPolarHBondContact O-CA 3.31Å; A77-I89 HydrophobicContact CB-CD1 4.41Å; A77-I89 HydrophobicContact CB-CG1 3.92Å; A77-I89 PolarHBondContact N-O 3.18Å; A77-I89 PolarHBondContact O-N 3.38Å; A77-A91 HydrophobicContact CB-CB 4.39Å; A77-L95 HydrophobicContact CB-CD2 3.75Å
78	L	98	Very high	96.6	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.8	167.7	-175.5	63.9	0	0	0	108.2	E15 L18 Q64 T65 K86 Y88	E15-L78 HydrophobicContact CB-CD1 4.16Å; E15-L78 HydrophobicContact CB-CD2 4.32Å; L18-L78 HydrophobicContact CD1-CD1 3.93Å; Q64-L78 PolarHBondContact N-O 3.37Å; T65-L78 PolarHBondContact O-N 3.12Å; T65-L78 WeakPolarHBondContact OG1-CB 3.25Å; L78-K86 HydrophobicContact CD1-CB 4.31Å; L78-Y88 HydrophobicContact CB-CD1 4.12Å; L78-Y88 HydrophobicContact CB-CE1 3.72Å; L78-Y88 HydrophobicContact CD1-CD1 4.1Å; L78-Y88 HydrophobicContact CD1-CE1 3.8Å; L78-Y88 HydrophobicContact CD1-CE2 4.49Å; L78-Y88 HydrophobicContact CG-CE1 4.31Å
79	V	97.4	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.9	179	-61.3	0	0	0	0	110	A61 T62 V63 Y81 K86 A87 I89 I101	A61-V79 HydrophobicContact CB-CB 4.05Å; A61-V79 HydrophobicContact CB-CG2 4.37Å; T62-V79 WeakPolarHBondContact O-CA 3.32Å; V63-V79 HydrophobicContact CG2-CG1 4.16Å; V79-Y81 HydrophobicContact CG2-CE2 3.93Å; V79-K86 WeakPolarHBondContact O-CA 3.17Å; V79-A87 HydrophobicContact CG2-CB 4.16Å; V79-A87 VanDerWaalsContact CG2-O 3.25Å; V79-A87 WeakPolarHBondContact CG2-O 3.32Å; V79-A87 PolarHBondContact N-O 2.94Å; V79-A87 PolarHBondContact O-N 2.91Å; V79-I89 HydrophobicContact CG1-CD1 3.83Å; V79-I89 HydrophobicContact CG1-CG1 3.91Å; V79-I89 HydrophobicContact CG2-CG2 4.09Å; V79-I101 HydrophobicContact CB-CD1 4.38Å; V79-I101 HydrophobicContact CG1-CD1 3.61Å
80	H	97.3	Very high	96.7	Very high	54 Å²	54	30.4 Å²	30.4	25%	0.25	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.6	173.2	-73.6	-170.5	0	0	0	108.2	A61 T62 Q64 K86	A61-H80 CarbonylContact C-O 3.59Å; A61-H80 WeakPolarHBondContact CA-O 3.28Å; T62-H80 PolarHBondContact N-O 3.07Å; T62-H80 PolarHBondContact O-N 2.94Å; Q64-H80 HydrophobicContact CG-CB 3.97Å; Q64-H80 VanDerWaalsContact CG-CG 3.41Å; Q64-H80 WeakPolarHBondContact CG-ND1 3.31Å; H80-K86 WeakPolarHBondContact NE2-CD 3.45Å; H80-K86 WeakPolarHBondContact NE2-CE 3.38Å
81	Y	96.9	Very high	96.7	Very high	8 Å²	8	29.2 Å²	29.2	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.9	171.9	-71.2	-89.7	0	0	0	110.1	R54 K56 V59 V60 A61 V79 D83 G84 V85 A87	R54-Y81 PolarHBondContact NH1-OH 3.39Å; K56-Y81 HydrophobicContact CB-CD1 4.19Å; K56-Y81 HydrophobicContact CB-CE1 3.7Å; K56-Y81 HydrophobicContact CD-CD1 3.74Å; K56-Y81 HydrophobicContact CD-CD2 4.07Å; K56-Y81 HydrophobicContact CD-CE1 3.78Å; K56-Y81 HydrophobicContact CD-CE2 4.11Å; K56-Y81 HydrophobicContact CD-CG 3.88Å; K56-Y81 HydrophobicContact CG-CE1 4.3Å; V59-Y81 HydrophobicContact CB-CD1 4.07Å; V59-Y81 HydrophobicContact CG1-CD1 3.78Å; V59-Y81 HydrophobicContact CG1-CG 4.38Å; V60-Y81 CarbonylContact O-C 3.45Å; V60-Y81 WeakPolarHBondContact O-CA 3.49Å; A61-Y81 HydrophobicContact CB-CD1 3.64Å; A61-Y81 HydrophobicContact CB-CD2 4.3Å; A61-Y81 HydrophobicContact CB-CE1 3.81Å; A61-Y81 HydrophobicContact CB-CE2 4.43Å; A61-Y81 HydrophobicContact CB-CG 3.91Å; V79-Y81 HydrophobicContact CG2-CE2 3.93Å; Y81-D83 WeakPolarHBondContact CB-OD1 3.43Å; Y81-D83 PolarHBondContact O-N 3.39Å; Y81-D83 VanDerWaalsContact O-N 3.15Å; Y81-G84 PolarHBondContact O-N 2.81Å; Y81-V85 WeakPolarHBondContact CB-O 3.37Å; Y81-V85 WeakPolarHBondContact CD2-O 3.38Å; Y81-V85 PolarHBondContact N-O 2.9Å; Y81-A87 HydrophobicContact CE2-CB 3.86Å
82	S	95.5	Very high	96.8	Very high	96 Å²	96	27.4 Å²	27.4	67%	0.671	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.7	177	56.1	0	0	0	0	113.5	V59 V60 G84	V59-S82 WeakPolarHBondContact CG1-OG 3.27Å; V60-S82 PolarHBondContact O-N 3.25Å; S82-G84 PolarHBondContact O-N 3.15Å
83	D	94.1	Very high	96.7	Very high	86 Å²	86	29.6 Å²	29.6	46%	0.46	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5.7	172.9	67.1	7.7	0	0	0	114.2	K56 Y81 V85	K56-D83 IonicContact NZ-OD1 3.67Å; K56-D83 PolarHBondContact NZ-OD1 2.92Å; K56-D83 IonicContact NZ-OD2 3.43Å; K56-D83 PolarHBondContact NZ-OD2 3.18Å; Y81-D83 WeakPolarHBondContact CB-OD1 3.43Å; Y81-D83 PolarHBondContact O-N 3.39Å; Y81-D83 VanDerWaalsContact O-N 3.15Å; D83-V85 VanDerWaalsContact C-N 3.3Å; D83-V85 PolarHBondContact O-N 3.3Å; D83-V85 WeakPolarHBondContact OD1-CB 3.4Å; D83-V85 WeakPolarHBondContact OD1-CG2 3.23Å; D83-V85 PolarHBondContact OD1-N 3.37Å; D83-V85 VanDerWaalsContact OD1-N 3.12Å
84	G	93.5	Very high	96.6	Very high	61 Å²	61	30.6 Å²	30.6	63%	0.629	19%	0.191	S	C	*	.	S	Bend	trans	84.9	-5.8	177.7	0	0	0	0	0	114.7	Y81 S82	Y81-G84 PolarHBondContact O-N 2.81Å; S82-G84 PolarHBondContact O-N 3.15Å
85	V	95.3	Very high	96.5	Very high	66 Å²	66	31 Å²	31	40%	0.4	19%	0.193	S	C	.	.			trans	-74.8	139.4	176.7	178	0	0	0	0	110.4	Y81 D83	Y81-V85 WeakPolarHBondContact CB-O 3.37Å; Y81-V85 WeakPolarHBondContact CD2-O 3.38Å; Y81-V85 PolarHBondContact N-O 2.9Å; D83-V85 VanDerWaalsContact C-N 3.3Å; D83-V85 PolarHBondContact O-N 3.3Å; D83-V85 WeakPolarHBondContact OD1-CB 3.4Å; D83-V85 WeakPolarHBondContact OD1-CG2 3.23Å; D83-V85 PolarHBondContact OD1-N 3.37Å; D83-V85 VanDerWaalsContact OD1-N 3.12Å
86	K	96.7	Very high	96.4	Very high	71 Å²	71	37 Å²	37	31%	0.309	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.1	173.2	-53.1	-175.5	-179.9	177.6	0	110.2	E15 L18 L78 V79 H80	E15-K86 HydrophobicContact CG-CD 4.03Å; E15-K86 IonicContact OE1-NZ 2.72Å; E15-K86 PolarHBondContact OE1-NZ 2.85Å; E15-K86 IonicContact OE2-NZ 2.61Å; E15-K86 PolarHBondContact OE2-NZ 3.37Å; L18-K86 HydrophobicContact CD1-CB 4.34Å; L78-K86 HydrophobicContact CD1-CB 4.31Å; V79-K86 WeakPolarHBondContact O-CA 3.17Å; H80-K86 WeakPolarHBondContact NE2-CD 3.45Å; H80-K86 WeakPolarHBondContact NE2-CE 3.38Å
87	A	97.5	Very high	96.3	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.7	171.2	0	0	0	0	0	111.1	D51 V79 Y81	D51-A87 HydrophobicContact CB-CB 4.15Å; V79-A87 HydrophobicContact CG2-CB 4.16Å; V79-A87 VanDerWaalsContact CG2-O 3.25Å; V79-A87 WeakPolarHBondContact CG2-O 3.32Å; V79-A87 PolarHBondContact N-O 2.94Å; V79-A87 PolarHBondContact O-N 2.91Å; Y81-A87 HydrophobicContact CE2-CB 3.86Å
88	Y	98.1	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.7	164.7	-76	-63.5	0	0	0	110.6	E15 L18 R48 I50 D51 E67 I76 A77 L78	E15-Y88 HydrophobicContact CB-CE2 4.37Å; E15-Y88 PolarHBondContact N-OH 3.33Å; L18-Y88 HydrophobicContact CB-CD2 3.79Å; L18-Y88 HydrophobicContact CB-CE2 3.71Å; L18-Y88 HydrophobicContact CD1-CD2 3.62Å; L18-Y88 HydrophobicContact CD1-CE2 3.82Å; L18-Y88 HydrophobicContact CD1-CG 4.29Å; L18-Y88 HydrophobicContact CG-CD2 4.37Å; L18-Y88 HydrophobicContact CG-CE2 4.43Å; R48-Y88 HydrophobicContact CB-CD2 4.31Å; I50-Y88 CarbonylContact C-O 3.57Å; I50-Y88 WeakPolarHBondContact CA-O 3.48Å; I50-Y88 VanDerWaalsContact CG2-O 3.27Å; I50-Y88 WeakPolarHBondContact CG2-O 3.47Å; D51-Y88 PolarHBondContact N-O 2.97Å; E67-Y88 HydrophobicContact CG-CE1 4.38Å; E67-Y88 VanDerWaalsContact OE1-CE1 3.31Å; E67-Y88 WeakPolarHBondContact OE1-CE1 3.31Å; E67-Y88 PolarHBondContact OE1-OH 2.96Å; E67-Y88 PolarHBondContact OE2-OH 2.86Å; I76-Y88 HydrophobicContact CB-CD1 4.35Å; I76-Y88 HydrophobicContact CD1-CD1 3.38Å; I76-Y88 HydrophobicContact CD1-CD2 4.11Å; I76-Y88 HydrophobicContact CD1-CE1 3.72Å; I76-Y88 HydrophobicContact CD1-CE2 4.39Å; I76-Y88 HydrophobicContact CD1-CG 3.6Å; I76-Y88 HydrophobicContact CG1-CD1 3.9Å; I76-Y88 HydrophobicContact CG1-CE1 4.23Å; I76-Y88 HydrophobicContact CG1-CG 4.5Å; A77-Y88 WeakPolarHBondContact O-CA 3.31Å; L78-Y88 HydrophobicContact CB-CD1 4.12Å; L78-Y88 HydrophobicContact CB-CE1 3.72Å; L78-Y88 HydrophobicContact CD1-CD1 4.1Å; L78-Y88 HydrophobicContact CD1-CE1 3.8Å; L78-Y88 HydrophobicContact CD1-CE2 4.49Å; L78-Y88 HydrophobicContact CG-CE1 4.31Å
89	I	97.5	Very high	96.1	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	164.7	168.2	62.8	165.3	0	0	0	109.9	I76 A77 V79 L95 I101	I76-I89 CarbonylContact C-O 3.58Å; I76-I89 WeakPolarHBondContact CA-O 3.44Å; I76-I89 VanDerWaalsContact CB-O 3.23Å; I76-I89 WeakPolarHBondContact CB-O 3.34Å; A77-I89 HydrophobicContact CB-CD1 4.41Å; A77-I89 HydrophobicContact CB-CG1 3.92Å; A77-I89 PolarHBondContact N-O 3.18Å; A77-I89 PolarHBondContact O-N 3.38Å; V79-I89 HydrophobicContact CG1-CD1 3.83Å; V79-I89 HydrophobicContact CG1-CG1 3.91Å; V79-I89 HydrophobicContact CG2-CG2 4.09Å; I89-L95 HydrophobicContact CD1-CD2 4.35Å; I89-I101 HydrophobicContact CD1-CD1 3.36Å
90	L	97.4	Very high	96	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.2	165.5	-63	179.3	0	0	0	108.6	I50 F52 A74 I76 P92 N128 R141	I50-L90 HydrophobicContact CD1-CD2 3.71Å; F52-L90 HydrophobicContact CE1-CD1 4.11Å; F52-L90 HydrophobicContact CE1-CD2 4.24Å; F52-L90 HydrophobicContact CE1-CG 4.14Å; A74-L90 HydrophobicContact CB-CD2 4.25Å; I76-L90 HydrophobicContact CG2-CD2 4.49Å; L90-P92 WeakPolarHBondContact O-CD 3.36Å; L90-N128 HydrophobicContact CD1-CB 4.38Å; L90-R141 HydrophobicContact CD1-CB 3.84Å; L90-R141 HydrophobicContact CD1-CG 3.94Å
91	A	97.1	Very high	96	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	29%	0.294	C	S	.	.			trans	-78	113	175.7	0	0	0	0	0	109.4	I66 N75 A77 G181	I66-A91 HydrophobicContact CG2-CB 4.45Å; N75-A91 HydrophobicContact CB-CB 4.2Å; N75-A91 WeakPolarHBondContact O-CB 3.39Å; N75-A91 PolarHBondContact O-N 2.92Å; A77-A91 HydrophobicContact CB-CB 4.39Å; A91-G181 PolarHBondContact O-N 3.16Å
92	P	97.1	Very high	96	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.032	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-70.5	159.1	169	-8.6	26.9	0	0	0	110.3	L90 G94 L95 I111 S179	L90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-G94 PolarHBondContact O-N 2.95Å; P92-L95 HydrophobicContact CG-CD2 4.49Å; P92-L95 WeakPolarHBondContact O-CB 3.32Å; P92-L95 PolarHBondContact O-N 3.13Å; P92-I111 HydrophobicContact CB-CG2 3.75Å; P92-I111 HydrophobicContact CG-CG2 4.31Å; P92-S179 CarbonylContact C-O 3.49Å; P92-S179 WeakPolarHBondContact CA-O 3.43Å; P92-S179 WeakPolarHBondContact CB-O 3.36Å
93	K	95.5	Very high	96	Very high	98 Å²	98	43.9 Å²	43.9	43%	0.426	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	134.7	171.5	-179.6	178.8	-174.3	169.6	0	110.6	L95 S179 E183	K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 3.03Å; K93-S179 WeakPolarHBondContact CB-OG 3.16Å; K93-S179 PolarHBondContact N-O 3.02Å; K93-E183 WeakPolarHBondContact CD-OE1 3.36Å; K93-E183 IonicContact NZ-OE1 3.47Å; K93-E183 PolarHBondContact NZ-OE1 3.05Å; K93-E183 IonicContact NZ-OE2 3.01Å; K93-E183 PolarHBondContact NZ-OE2 3.47Å
94	G	94.2	Very high	96	Very high	49 Å²	49	39.8 Å²	39.8	51%	0.505	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	12.8	177.6	0	0	0	0	0	114.2	P92	P92-G94 PolarHBondContact O-N 2.95Å
95	L	94.6	Very high	96	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.047	23%	0.234	C	C	.	.			trans	-78.6	123.9	168.9	-169.9	74.9	0	0	0	108.9	V63 I66 A77 I89 P92 K93 M99 I101	V63-L95 HydrophobicContact CG1-CD2 4.2Å; V63-L95 HydrophobicContact CG1-CG 4.44Å; V63-L95 HydrophobicContact CG2-CD1 3.89Å; V63-L95 HydrophobicContact CG2-CD2 3.78Å; V63-L95 HydrophobicContact CG2-CG 3.92Å; I66-L95 WeakPolarHBondContact CD1-O 3.49Å; A77-L95 HydrophobicContact CB-CD2 3.75Å; I89-L95 HydrophobicContact CD1-CD2 4.35Å; P92-L95 HydrophobicContact CG-CD2 4.49Å; P92-L95 WeakPolarHBondContact O-CB 3.32Å; P92-L95 PolarHBondContact O-N 3.13Å; K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 3.03Å; L95-M99 HydrophobicContact CD1-CB 4.47Å; L95-M99 HydrophobicContact CD1-SD 4.28Å; L95-I101 HydrophobicContact CD1-CG2 3.95Å
96	E	94.5	Very high	95.9	Very high	135 Å²	135	42.1 Å²	42.1	63%	0.631	25%	0.25	S	C	*	.			trans	-109	156	179.6	-63.1	179.1	177.7	0	0	111.3	M99	E96-M99 HydrophobicContact CB-CG 3.97Å; E96-M99 HydrophobicContact CB-SD 3.87Å; E96-M99 HydrophobicContact CG-SD 4.35Å; E96-M99 PolarHBondContact N-SD 3.44Å; E96-M99 WeakPolarHBondContact O-CB 3.43Å; E96-M99 WeakPolarHBondContact O-CG 3.47Å; E96-M99 PolarHBondContact O-N 2.77Å
97	V	95.9	Very high	95.7	Very high	74 Å²	74	39.3 Å²	39.3	45%	0.448	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	136.7	172.1	172.6	0	0	0	0	109.6	T10 Q64 I66 M99	T10-V97 HydrophobicContact CG2-CG2 3.79Å; Q64-V97 WeakPolarHBondContact O-CG1 3.49Å; I66-V97 HydrophobicContact CG1-CG2 4.44Å; V97-M99 VanDerWaalsContact C-N 3.34Å
98	G	95.9	Very high	95.5	Very high	48 Å²	48	43.1 Å²	43.1	50%	0.495	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-15.6	-175.4	0	0	0	0	0	114.1	V63	V63-G98 PolarHBondContact O-N 3.25Å
99	M	96.2	Very high	95.3	Very high	68 Å²	68	46.8 Å²	46.8	34%	0.335	28%	0.277	S	S	.	.			trans	-64.1	143.3	175.3	-68.5	-175.4	75.8	0	0	111.6	V63 L95 E96 V97	V63-M99 HydrophobicContact CG2-CB 4.45Å; V63-M99 WeakPolarHBondContact CG2-O 3.39Å; V63-M99 PolarHBondContact N-O 2.67Å; L95-M99 HydrophobicContact CD1-CB 4.47Å; L95-M99 HydrophobicContact CD1-SD 4.28Å; E96-M99 HydrophobicContact CB-CG 3.97Å; E96-M99 HydrophobicContact CB-SD 3.87Å; E96-M99 HydrophobicContact CG-SD 4.35Å; E96-M99 PolarHBondContact N-SD 3.44Å; E96-M99 WeakPolarHBondContact O-CB 3.43Å; E96-M99 WeakPolarHBondContact O-CG 3.47Å; E96-M99 PolarHBondContact O-N 2.77Å; V97-M99 VanDerWaalsContact C-N 3.34Å
100	T	96	Very high	95.2	Very high	88 Å²	88	52.3 Å²	52.3	54%	0.54	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.5	172.8	56.1	0	0	0	0	110.6	V60 A61	V60-T100 HydrophobicContact CG1-CG2 3.96Å; A61-T100 CarbonylContact O-C 3.54Å; A61-T100 WeakPolarHBondContact O-CA 3.4Å
101	I	96.5	Very high	95.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.2	174.3	61.6	178.2	0	0	0	109.8	A61 V63 V79 I89 L95 N113	A61-I101 HydrophobicContact CB-CG1 3.99Å; A61-I101 PolarHBondContact N-O 2.83Å; A61-I101 WeakPolarHBondContact O-CG1 3.41Å; A61-I101 PolarHBondContact O-N 3.21Å; V63-I101 HydrophobicContact CG2-CG2 4.44Å; V79-I101 HydrophobicContact CB-CD1 4.38Å; V79-I101 HydrophobicContact CG1-CD1 3.61Å; I89-I101 HydrophobicContact CD1-CD1 3.36Å; L95-I101 HydrophobicContact CD1-CG2 3.95Å; I101-N113 WeakPolarHBondContact CA-OD1 3.46Å
102	V	96.6	Very high	95	Very high	31 Å²	31	55.1 Å²	55.1	19%	0.188	32%	0.315	C	S	.	.			trans	-132.4	147.7	-179.1	-174	0	0	0	0	109	V60 A107 N113 A114	V60-V102 HydrophobicContact CB-CG2 4.38Å; V60-V102 HydrophobicContact CG1-CG2 4.4Å; V60-V102 HydrophobicContact CG2-CG2 3.94Å; V102-A107 HydrophobicContact CB-CB 4.42Å; V102-A107 HydrophobicContact CG1-CB 4.41Å; V102-N113 PolarHBondContact N-OD1 3.38Å; V102-N113 WeakPolarHBondContact O-CA 3.49Å; V102-N113 WeakPolarHBondContact O-CB 3.39Å; V102-N113 PolarHBondContact O-OD1 3.21Å; V102-A114 PolarHBondContact O-N 3.03Å; V102-A114 VanDerWaalsContact O-N 3.15Å
103	S	95.4	Very high	95	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-112.9	143.9	168.2	-49.1	0	0	0	0	108.4	R54 D57 N58 A114	R54-S103 PolarHBondContact NE-OG 2.87Å; R54-S103 PolarHBondContact NH2-OG 3.4Å; R54-S103 VanDerWaalsContact O-CB 3.31Å; R54-S103 WeakPolarHBondContact O-CB 3.38Å; D57-S103 CarbonylContact C-O 3.49Å; D57-S103 VanDerWaalsContact CA-O 3.25Å; D57-S103 WeakPolarHBondContact CA-O 3.26Å; N58-S103 PolarHBondContact N-O 3.47Å; S103-A114 CarbonylContact C-O 3.43Å; S103-A114 VanDerWaalsContact CA-O 3.26Å; S103-A114 WeakPolarHBondContact CA-O 3.43Å
104	G	94.6	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	156.4	168.5	179.4	0	0	0	0	0	112.9	D106 A114 L115	G104-D106 VanDerWaalsContact C-N 3.3Å; G104-A114 PolarHBondContact N-O 2.91Å; G104-L115 WeakPolarHBondContact O-CG 3.46Å
105	A	93.6	Very high	95.2	Very high	42 Å²	42	48.4 Å²	48.4	35%	0.347	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-35.7	173.9	0	0	0	0	0	111.6	N119	A105-N119 WeakPolarHBondContact CA-ND2 3.35Å; A105-N119 WeakPolarHBondContact CB-ND2 3.47Å; A105-N119 PolarHBondContact O-ND2 2.99Å
106	D	92.4	Very high	95.3	Very high	135 Å²	135	48.7 Å²	48.7	72%	0.722	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	10.6	-174.5	-50	-52.7	0	0	0	113.1	G104	G104-D106 VanDerWaalsContact C-N 3.3Å
107	A	93.1	Very high	95.4	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	24%	0.244	C	C	.	.			trans	-68	142.7	-178.9	0	0	0	0	0	111	V102 N113 L115	V102-A107 HydrophobicContact CB-CB 4.42Å; V102-A107 HydrophobicContact CG1-CB 4.41Å; A107-N113 HydrophobicContact CB-CB 4.36Å; A107-L115 HydrophobicContact CB-CD1 4.29Å; A107-L115 HydrophobicContact CB-CD2 4.39Å; A107-L115 HydrophobicContact CB-CG 4.07Å; A107-L115 VanDerWaalsContact O-CD2 3.26Å; A107-L115 WeakPolarHBondContact O-CD2 3.23Å
108	D	93.5	Very high	95.4	Very high	93 Å²	93	43 Å²	43	50%	0.497	24%	0.243	S	C	.	.			trans	-59.9	151.7	175.7	-70.3	-23	0	0	0	111.9	K110 N113	D108-K110 HydrophobicContact CB-CD 3.88Å; D108-K110 HydrophobicContact CB-CG 3.98Å; D108-K110 PolarHBondContact O-N 3.46Å; D108-K110 WeakPolarHBondContact OD2-CE 3.3Å; D108-K110 IonicContact OD2-NZ 2.87Å; D108-K110 PolarHBondContact OD2-NZ 3.5Å; D108-N113 WeakPolarHBondContact O-CB 3.31Å; D108-N113 PolarHBondContact O-ND2 2.99Å
109	I	94.6	Very high	95.4	Very high	76 Å²	76	43.8 Å²	43.8	39%	0.39	24%	0.235	S	C	.	.	S	Bend	trans	-76.3	70.6	173.1	-51.1	-58.4	0	0	0	110.2	L115 P121 T124 I177	I109-L115 HydrophobicContact CD1-CD1 4.36Å; I109-L115 HydrophobicContact CD1-CD2 3.91Å; I109-P121 VanDerWaalsContact CD1-CD 3.49Å; I109-P121 HydrophobicContact CD1-CG 4.28Å; I109-P121 HydrophobicContact CG1-CG 3.99Å; I109-T124 HydrophobicContact CG2-CG2 4.29Å; I109-I177 VanDerWaalsContact CA-CD1 3.46Å; I109-I177 HydrophobicContact CB-CD1 4.03Å; I109-I177 HydrophobicContact CD1-CD1 3.84Å; I109-I177 HydrophobicContact CG2-CD1 3.69Å
110	K	95.6	Very high	95.4	Very high	123 Å²	123	40.6 Å²	40.6	54%	0.535	22%	0.219	S	C	.	.			trans	-121.3	154.5	178.8	-70.1	171.6	179.5	156.3	0	110.6	D108 G112 N113 I177	D108-K110 HydrophobicContact CB-CD 3.88Å; D108-K110 HydrophobicContact CB-CG 3.98Å; D108-K110 PolarHBondContact O-N 3.46Å; D108-K110 WeakPolarHBondContact OD2-CE 3.3Å; D108-K110 IonicContact OD2-NZ 2.87Å; D108-K110 PolarHBondContact OD2-NZ 3.5Å; K110-G112 PolarHBondContact O-N 3.05Å; K110-N113 WeakPolarHBondContact O-CB 3.46Å; K110-N113 PolarHBondContact O-N 2.75Å; K110-I177 WeakPolarHBondContact O-CB 3.2Å
111	I	95.8	Very high	95.5	Very high	71 Å²	71	39.1 Å²	39.1	36%	0.364	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132.8	179.5	-61.9	171.6	0	0	0	109.9	P92 N113	P92-I111 HydrophobicContact CB-CG2 3.75Å; P92-I111 HydrophobicContact CG-CG2 4.31Å; I111-N113 VanDerWaalsContact C-N 3.28Å; I111-N113 PolarHBondContact O-N 2.95Å
112	G	94.5	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-12.8	179.3	0	0	0	0	0	115.4	R54 K110 T176 I177	R54-G112 PolarHBondContact NH2-O 3.15Å; K110-G112 PolarHBondContact O-N 3.05Å; G112-T176 WeakPolarHBondContact O-CG2 3.45Å; G112-I177 PolarHBondContact N-O 2.85Å
113	N	97	Very high	95.5	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.244	C	C	.	.			trans	-72.7	143.8	171.4	-72.4	-3.5	0	0	0	110.9	I101 V102 A107 D108 K110 I111 L115 T176 I177	I101-N113 WeakPolarHBondContact CA-OD1 3.46Å; V102-N113 PolarHBondContact N-OD1 3.38Å; V102-N113 WeakPolarHBondContact O-CA 3.49Å; V102-N113 WeakPolarHBondContact O-CB 3.39Å; V102-N113 PolarHBondContact O-OD1 3.21Å; A107-N113 HydrophobicContact CB-CB 4.36Å; D108-N113 WeakPolarHBondContact O-CB 3.31Å; D108-N113 PolarHBondContact O-ND2 2.99Å; K110-N113 WeakPolarHBondContact O-CB 3.46Å; K110-N113 PolarHBondContact O-N 2.75Å; I111-N113 VanDerWaalsContact C-N 3.28Å; I111-N113 PolarHBondContact O-N 2.95Å; N113-L115 HydrophobicContact CB-CD1 4.19Å; N113-T176 WeakPolarHBondContact O-CA 3.45Å; N113-T176 WeakPolarHBondContact O-CG2 3.45Å; N113-I177 PolarHBondContact O-N 3.12Å
114	A	97.1	Very high	95.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.3	-178.7	0	0	0	0	0	111.1	R54 V102 S103 G104 A175	R54-A114 HydrophobicContact CB-CB 3.69Å; R54-A114 HydrophobicContact CG-CB 4.08Å; V102-A114 PolarHBondContact O-N 3.03Å; V102-A114 VanDerWaalsContact O-N 3.15Å; S103-A114 CarbonylContact C-O 3.43Å; S103-A114 VanDerWaalsContact CA-O 3.26Å; S103-A114 WeakPolarHBondContact CA-O 3.43Å; G104-A114 PolarHBondContact N-O 2.91Å; A114-A175 WeakPolarHBondContact CA-O 3.48Å
115	L	96.4	Very high	95.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.9	-176.3	-61.1	90.6	0	0	0	111.1	G104 A107 I109 N113 N119 I120 R174 A175 I177	G104-L115 WeakPolarHBondContact O-CG 3.46Å; A107-L115 HydrophobicContact CB-CD1 4.29Å; A107-L115 HydrophobicContact CB-CD2 4.39Å; A107-L115 HydrophobicContact CB-CG 4.07Å; A107-L115 VanDerWaalsContact O-CD2 3.26Å; A107-L115 WeakPolarHBondContact O-CD2 3.23Å; I109-L115 HydrophobicContact CD1-CD1 4.36Å; I109-L115 HydrophobicContact CD1-CD2 3.91Å; N113-L115 HydrophobicContact CB-CD1 4.19Å; L115-N119 HydrophobicContact CD2-CB 4.13Å; L115-I120 HydrophobicContact CB-CD1 4.28Å; L115-I120 HydrophobicContact CB-CG1 3.93Å; L115-R174 WeakPolarHBondContact O-CA 3.2Å; L115-A175 PolarHBondContact N-O 2.84Å; L115-A175 PolarHBondContact O-N 2.68Å; L115-I177 HydrophobicContact CD1-CD1 3.51Å; L115-I177 HydrophobicContact CD1-CG1 4.2Å
116	P	96.8	Very high	95.9	Very high	15 Å²	15	45.6 Å²	45.6	10%	0.097	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.1	159.3	-23.4	35.9	0	0	0	111.8	E118 N119	P116-E118 HydrophobicContact CB-CG 3.73Å; P116-E118 PolarHBondContact O-N 3.39Å; P116-E118 VanDerWaalsContact O-N 3.16Å; P116-N119 PolarHBondContact O-N 3.01Å
117	L	96.6	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.1	179.5	-76.6	173.7	0	0	0	113.2	N119 I120 I126 I129 V149 V157 V159 I169 A171 C173 A175	L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-N 3.07Å; L117-I120 HydrophobicContact CD2-CD1 4.34Å; L117-I120 PolarHBondContact O-N 2.87Å; L117-I126 HydrophobicContact CD2-CD1 3.57Å; L117-I129 HydrophobicContact CD1-CG2 4.18Å; L117-V149 HydrophobicContact CD2-CG2 4.48Å; L117-V157 HydrophobicContact CB-CB 4.18Å; L117-V157 HydrophobicContact CB-CG1 4.38Å; L117-V157 HydrophobicContact CB-CG2 3.93Å; L117-V157 HydrophobicContact CD1-CB 4.41Å; L117-V159 HydrophobicContact CD1-CG2 4.46Å; L117-V159 HydrophobicContact CD2-CG2 4.46Å; L117-I169 HydrophobicContact CD1-CB 3.87Å; L117-I169 HydrophobicContact CD1-CG2 3.54Å; L117-A171 PolarHBondContact N-O 3.49Å; L117-A171 VanDerWaalsContact N-O 3.13Å; L117-C173 HydrophobicContact CD1-CB 4Å; L117-C173 WeakPolarHBondContact CG-O 3.45Å; L117-C173 PolarHBondContact N-O 2.82Å; L117-A175 HydrophobicContact CD2-CB 3.74Å; L117-A175 HydrophobicContact CG-CB 4.37Å
118	E	95.9	Very high	96.4	Very high	91 Å²	91	39.1 Å²	39.1	43%	0.425	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.7	174.1	58	-179.8	-172.1	0	0	113.8	P116 K152 A171	P116-E118 HydrophobicContact CB-CG 3.73Å; P116-E118 PolarHBondContact O-N 3.39Å; P116-E118 VanDerWaalsContact O-N 3.16Å; E118-K152 WeakPolarHBondContact O-CE 3.48Å; E118-K152 PolarHBondContact O-NZ 3.49Å; E118-A171 HydrophobicContact CB-CB 3.95Å; E118-A171 PolarHBondContact N-O 3.1Å
119	N	95.7	Very high	96.6	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14	-176.3	-68.5	-6	0	0	0	112.5	A105 L115 P116 L117 P121	A105-N119 WeakPolarHBondContact CA-ND2 3.35Å; A105-N119 WeakPolarHBondContact CB-ND2 3.47Å; A105-N119 PolarHBondContact O-ND2 2.99Å; L115-N119 HydrophobicContact CD2-CB 4.13Å; P116-N119 PolarHBondContact O-N 3.01Å; L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-N 3.07Å; N119-P121 WeakPolarHBondContact O-CD 3.32Å
120	I	96.8	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-76.8	126.8	-179.4	-64.6	-177.5	0	0	0	110.3	L115 L117 T124 I126 V149 K152 A175	L115-I120 HydrophobicContact CB-CD1 4.28Å; L115-I120 HydrophobicContact CB-CG1 3.93Å; L117-I120 HydrophobicContact CD2-CD1 4.34Å; L117-I120 PolarHBondContact O-N 2.87Å; I120-T124 HydrophobicContact CG2-CG2 4.41Å; I120-T124 WeakPolarHBondContact CG2-OG1 3.5Å; I120-I126 HydrophobicContact CD1-CG2 3.96Å; I120-I126 HydrophobicContact CG2-CG2 4.04Å; I120-V149 HydrophobicContact CG2-CG2 3.91Å; I120-K152 WeakPolarHBondContact O-CE 3.28Å; I120-K152 PolarHBondContact O-NZ 2.84Å; I120-A175 HydrophobicContact CD1-CB 3.97Å
121	P	96.4	Very high	96.7	Very high	57 Å²	57	28.8 Å²	28.8	37%	0.37	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-61.3	150.2	178.1	-23	31.4	0	0	0	113.2	I109 N119 T124	I109-P121 VanDerWaalsContact CD1-CD 3.49Å; I109-P121 HydrophobicContact CD1-CG 4.28Å; I109-P121 HydrophobicContact CG1-CG 3.99Å; N119-P121 WeakPolarHBondContact O-CD 3.32Å; P121-T124 HydrophobicContact CB-CG2 3.87Å; P121-T124 HydrophobicContact CG-CG2 4.22Å; P121-T124 WeakPolarHBondContact O-CB 3.35Å; P121-T124 VanDerWaalsContact O-CG2 3.3Å; P121-T124 WeakPolarHBondContact O-CG2 3.17Å; P121-T124 PolarHBondContact O-N 3.02Å; P121-T124 PolarHBondContact O-OG1 3.46Å
122	V	97	Very high	96.7	Very high	83 Å²	83	31.9 Å²	31.9	50%	0.503	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	143	174.9	179.1	0	0	0	0	109.8	T124 V149 L150 K152	V122-T124 VanDerWaalsContact C-N 3.3Å; V122-T124 PolarHBondContact O-N 3.1Å; V122-V149 HydrophobicContact CG2-CG1 4.5Å; V122-L150 WeakPolarHBondContact CG1-O 3.32Å; V122-K152 HydrophobicContact CG2-CG 4.35Å
123	G	96.2	Very high	96.7	Very high	37 Å²	37	34.8 Å²	34.8	38%	0.381	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-16.5	-178.7	0	0	0	0	0	114.4	Q148 V149	G123-Q148 PolarHBondContact O-NE2 2.92Å; G123-V149 WeakPolarHBondContact CA-O 3.17Å; G123-V149 PolarHBondContact N-O 3.33Å
124	T	97.2	Very high	96.6	Very high	29 Å²	29	36.7 Å²	36.7	18%	0.178	22%	0.219	C	C	.	.			trans	-66.5	150.2	179.9	58.3	0	0	0	0	112.7	I109 I120 P121 V122 Q148 V149	I109-T124 HydrophobicContact CG2-CG2 4.29Å; I120-T124 HydrophobicContact CG2-CG2 4.41Å; I120-T124 WeakPolarHBondContact CG2-OG1 3.5Å; P121-T124 HydrophobicContact CB-CG2 3.87Å; P121-T124 HydrophobicContact CG-CG2 4.22Å; P121-T124 WeakPolarHBondContact O-CB 3.35Å; P121-T124 VanDerWaalsContact O-CG2 3.3Å; P121-T124 WeakPolarHBondContact O-CG2 3.17Å; P121-T124 PolarHBondContact O-N 3.02Å; P121-T124 PolarHBondContact O-OG1 3.46Å; V122-T124 VanDerWaalsContact C-N 3.3Å; V122-T124 PolarHBondContact O-N 3.1Å; T124-Q148 WeakPolarHBondContact O-CA 3.19Å; T124-V149 PolarHBondContact O-N 2.89Å; T124-V149 VanDerWaalsContact O-N 3.13Å
125	V	97.5	Very high	96.5	Very high	62 Å²	62	43.8 Å²	43.8	38%	0.376	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.9	177.7	-175.1	0	0	0	0	109.2	S146 A147 G178	V125-S146 VanDerWaalsContact CG1-CB 3.46Å; V125-A147 CarbonylContact C-O 3.59Å; V125-A147 WeakPolarHBondContact CA-O 3.41Å; V125-G178 PolarHBondContact O-N 3.3Å
126	I	97.9	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.1	-173.6	56.1	167.5	0	0	0	112	L117 I120 I129 A147 V149 V159 A175 T176 G178	L117-I126 HydrophobicContact CD2-CD1 3.57Å; I120-I126 HydrophobicContact CD1-CG2 3.96Å; I120-I126 HydrophobicContact CG2-CG2 4.04Å; I126-I129 HydrophobicContact CD1-CD1 3.48Å; I126-I129 VanDerWaalsContact CD1-CD1 3.48Å; I126-I129 HydrophobicContact CD1-CG1 3.96Å; I126-I129 HydrophobicContact CG1-CD1 3.88Å; I126-I129 HydrophobicContact CG1-CG1 4.37Å; I126-A147 HydrophobicContact CG1-CB 4.26Å; I126-A147 PolarHBondContact N-O 3.13Å; I126-A147 PolarHBondContact O-N 3.45Å; I126-V149 HydrophobicContact CD1-CG2 3.63Å; I126-V149 HydrophobicContact CG1-CG2 4.2Å; I126-V149 HydrophobicContact CG2-CG2 4.37Å; I126-V159 HydrophobicContact CD1-CG1 4.36Å; I126-V159 HydrophobicContact CD1-CG2 4.46Å; I126-A175 HydrophobicContact CB-CB 4.2Å; I126-A175 HydrophobicContact CD1-CB 3.92Å; I126-A175 HydrophobicContact CG2-CB 4.47Å; I126-T176 CarbonylContact C-O 3.56Å; I126-T176 VanDerWaalsContact CA-O 3.26Å; I126-T176 WeakPolarHBondContact CA-O 3.43Å; I126-G178 CarbonylContact C-O 3.54Å; I126-G178 VanDerWaalsContact C-O 3.24Å
127	H	98.1	Very high	96.3	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	176.7	173.7	71.5	-77	0	0	0	111.4	I129 I140 T176 I177 G178 V180	H127-I129 PolarHBondContact O-N 2.8Å; H127-I140 HydrophobicContact CB-CB 4.48Å; H127-I140 HydrophobicContact CB-CG2 3.77Å; H127-T176 VanDerWaalsContact CE1-CB 3.47Å; H127-T176 WeakPolarHBondContact CE1-CB 3.41Å; H127-T176 WeakPolarHBondContact CE1-CG2 3.46Å; H127-T176 PolarHBondContact N-O 3.49Å; H127-T176 PolarHBondContact ND1-O 2.85Å; H127-T176 PolarHBondContact O-N 2.91Å; H127-I177 PolarHBondContact CE1-O 3.32Å; H127-G178 PolarHBondContact N-O 3.15Å; H127-G178 PolarHBondContact ND1-O 3.22Å; H127-V180 HydrophobicContact CB-CG2 3.68Å
128	N	97.4	Very high	96.3	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	27%	0.267	C	S	.	.	S	Bend	trans	52	50.9	177.9	-166.7	44.1	0	0	0	114	F52 L90 G137 L139 I140	F52-N128 WeakPolarHBondContact CD1-OD1 3.32Å; F52-N128 PolarHBondContact O-ND2 2.87Å; L90-N128 HydrophobicContact CD1-CB 4.38Å; N128-G137 WeakPolarHBondContact O-CA 2.91Å; N128-G137 VanDerWaalsContact OD1-CA 3.32Å; N128-G137 WeakPolarHBondContact OD1-CA 3.4Å; N128-L139 WeakPolarHBondContact CA-O 3.47Å; N128-L139 PolarHBondContact N-O 2.91Å; N128-I140 PolarHBondContact N-O 2.99Å
129	I	97.6	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.2	-170.8	-47.5	172.5	0	0	0	110.7	L117 I126 H127 G137 Q138 L139 I140 A147 V159 I169 A175	L117-I129 HydrophobicContact CD1-CG2 4.18Å; I126-I129 HydrophobicContact CD1-CD1 3.48Å; I126-I129 VanDerWaalsContact CD1-CD1 3.48Å; I126-I129 HydrophobicContact CD1-CG1 3.96Å; I126-I129 HydrophobicContact CG1-CD1 3.88Å; I126-I129 HydrophobicContact CG1-CG1 4.37Å; H127-I129 PolarHBondContact O-N 2.8Å; I129-G137 WeakPolarHBondContact O-CA 3.3Å; I129-Q138 PolarHBondContact O-N 2.7Å; I129-L139 HydrophobicContact CB-CB 4.2Å; I129-L139 PolarHBondContact N-O 2.82Å; I129-L139 PolarHBondContact O-N 2.74Å; I129-L139 VanDerWaalsContact O-N 3.1Å; I129-I140 HydrophobicContact CD1-CG1 4.21Å; I129-A147 HydrophobicContact CD1-CB 3.73Å; I129-V159 HydrophobicContact CD1-CG1 3.81Å; I129-I169 HydrophobicContact CG2-CD1 3.76Å; I129-I169 HydrophobicContact CG2-CG2 4.45Å; I129-A175 HydrophobicContact CB-CB 4.47Å; I129-A175 HydrophobicContact CG1-CB 4Å; I129-A175 HydrophobicContact CG2-CB 4.38Å
130	E	97.5	Very high	96.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.3	172.2	-61.5	-164.5	125.6	0	0	111.8	G134 K135 G136 I169 C173 R174	E130-G134 WeakPolarHBondContact OE1-CA 3.38Å; E130-G134 PolarHBondContact OE1-N 3.02Å; E130-G134 VanDerWaalsContact OE1-N 3.12Å; E130-G134 PolarHBondContact OE2-N 3.28Å; E130-G134 VanDerWaalsContact OE2-N 3.12Å; E130-K135 PolarHBondContact OE1-N 3.24Å; E130-G136 WeakPolarHBondContact OE1-CA 3.4Å; E130-G136 PolarHBondContact OE1-N 3.1Å; E130-I169 WeakPolarHBondContact O-CG2 3.16Å; E130-C173 HydrophobicContact CB-CB 3.89Å; E130-C173 PolarHBondContact O-SG 3.06Å; E130-C173 VanDerWaalsContact O-SG 3.33Å; E130-R174 HydrophobicContact CG-CB 4.08Å; E130-R174 PolarHBondContact N-O 3.2Å; E130-R174 PolarHBondContact OE2-N 3.38Å
131	M	94.9	Very high	96.5	Very high	71 Å²	71	47.4 Å²	47.4	35%	0.35	26%	0.261	S	S	.	.	S	Bend	trans	-84.1	-26.2	170.7	-162.5	179.1	-62.9	0	0	112.2	L139	M131-L139 HydrophobicContact CE-CD2 3.89Å; M131-L139 HydrophobicContact CE-CG 4.28Å
132	K	95.7	Very high	96.5	Very high	136 Å²	136	47.9 Å²	47.9	59%	0.591	27%	0.266	S	S	*	.	S	Bend	trans	-140.9	142.1	176.1	-67	-174.9	177.9	-174.7	0	108.1	G134 K135	K132-G134 PolarHBondContact O-N 2.97Å; K132-K135 HydrophobicContact CB-CB 4.4Å; K132-K135 HydrophobicContact CB-CG 3.96Å; K132-K135 PolarHBondContact O-N 3Å
133	P	95.8	Very high	96.5	Very high	61 Å²	61	44.7 Å²	44.7	40%	0.396	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.7	-178.8	-26.9	35	0	0	0	112.3	K135 L170 T172	P133-K135 PolarHBondContact O-N 3.46Å; P133-L170 HydrophobicContact CG-CD1 4.07Å; P133-T172 VanDerWaalsContact CG-OG1 3.31Å; P133-T172 WeakPolarHBondContact CG-OG1 3.19Å
134	G	94.5	Very high	96.4	Very high	47 Å²	47	44.1 Å²	44.1	49%	0.485	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	2.7	174	0	0	0	0	0	115.8	K53 E130 K132 G136	K53-G134 WeakPolarHBondContact CE-O 3.25Å; E130-G134 WeakPolarHBondContact OE1-CA 3.38Å; E130-G134 PolarHBondContact OE1-N 3.02Å; E130-G134 VanDerWaalsContact OE1-N 3.12Å; E130-G134 PolarHBondContact OE2-N 3.28Å; E130-G134 VanDerWaalsContact OE2-N 3.12Å; K132-G134 PolarHBondContact O-N 2.97Å; G134-G136 VanDerWaalsContact C-N 3.3Å
135	K	95.2	Very high	96.4	Very high	150 Å²	150	43.7 Å²	43.7	65%	0.652	24%	0.239	S	C	*	.	S	Bend	trans	-85.3	-3.6	175.2	-68.9	-63	-174.4	-174.1	0	113.2	E130 K132 P133	E130-K135 PolarHBondContact OE1-N 3.24Å; K132-K135 HydrophobicContact CB-CB 4.4Å; K132-K135 HydrophobicContact CB-CG 3.96Å; K132-K135 PolarHBondContact O-N 3Å; P133-K135 PolarHBondContact O-N 3.46Å
136	G	94.9	Very high	96.4	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	23%	0.233	C	C	.	.			trans	77.8	159.4	-174.9	0	0	0	0	0	112.3	F52 E130 G134 Q138	F52-G136 WeakPolarHBondContact O-CA 3.26Å; E130-G136 WeakPolarHBondContact OE1-CA 3.4Å; E130-G136 PolarHBondContact OE1-N 3.1Å; G134-G136 VanDerWaalsContact C-N 3.3Å; G136-Q138 PolarHBondContact O-N 2.91Å
137	G	94.6	Very high	96.4	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.1	-178.4	0	0	0	0	0	112.2	F52 N128 I129 R141	F52-G137 PolarHBondContact O-N 3.38Å; N128-G137 WeakPolarHBondContact O-CA 2.91Å; N128-G137 VanDerWaalsContact OD1-CA 3.32Å; N128-G137 WeakPolarHBondContact OD1-CA 3.4Å; I129-G137 WeakPolarHBondContact O-CA 3.3Å; G137-R141 WeakPolarHBondContact O-CD 3.48Å
138	Q	96.3	Very high	96.4	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-30.7	179.7	-69.4	177.8	-23.7	0	0	111.5	I129 G136 R141	I129-Q138 PolarHBondContact O-N 2.7Å; G136-Q138 PolarHBondContact O-N 2.91Å; Q138-R141 PolarHBondContact O-NE 2.81Å
139	L	96.7	Very high	96.4	Very high	31 Å²	31	45.3 Å²	45.3	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149.4	-177.6	-57.6	173.6	0	0	0	110.6	N128 I129 M131 L161 I169	N128-L139 WeakPolarHBondContact CA-O 3.47Å; N128-L139 PolarHBondContact N-O 2.91Å; I129-L139 HydrophobicContact CB-CB 4.2Å; I129-L139 PolarHBondContact N-O 2.82Å; I129-L139 PolarHBondContact O-N 2.74Å; I129-L139 VanDerWaalsContact O-N 3.1Å; M131-L139 HydrophobicContact CE-CD2 3.89Å; M131-L139 HydrophobicContact CE-CG 4.28Å; L139-L161 HydrophobicContact CD1-CD2 4.15Å; L139-I169 HydrophobicContact CD1-CD1 4.05Å
140	I	97	Very high	96.4	Very high	21 Å²	21	48 Å²	48	11%	0.108	26%	0.261	C	S	.	.	S	Bend	trans	56.3	66.6	172.8	-47.4	-59.1	0	0	0	112.3	H127 N128 I129 T145 A147 L161 N162	H127-I140 HydrophobicContact CB-CB 4.48Å; H127-I140 HydrophobicContact CB-CG2 3.77Å; N128-I140 PolarHBondContact N-O 2.99Å; I129-I140 HydrophobicContact CD1-CG1 4.21Å; I140-T145 WeakPolarHBondContact CG2-O 3.45Å; I140-A147 HydrophobicContact CD1-CB 4.07Å; I140-A147 HydrophobicContact CG1-CB 3.7Å; I140-L161 HydrophobicContact CD1-CB 4.42Å; I140-L161 HydrophobicContact CD1-CD2 4.22Å; I140-L161 HydrophobicContact CG1-CD2 4.31Å; I140-N162 HydrophobicContact CD1-CB 4.05Å
141	R	97.3	Very high	96.3	Very high	99 Å²	99	48.5 Å²	48.5	37%	0.374	27%	0.268	S	S	.	.			trans	-123.4	-8.8	-178.6	-62.6	-172.9	-66.9	155.4	3.9	113.9	F52 L90 G137 Q138	F52-R141 HydrophobicContact CE1-CG 4.48Å; L90-R141 HydrophobicContact CD1-CB 3.84Å; L90-R141 HydrophobicContact CD1-CG 3.94Å; G137-R141 WeakPolarHBondContact O-CD 3.48Å; Q138-R141 PolarHBondContact O-NE 2.81Å
142	S	97	Very high	96.3	Very high	67 Å²	67	49.7 Å²	49.7	47%	0.469	27%	0.271	S	S	.	.	S	Bend	trans	-81.7	152	-177.9	-60.1	0	0	0	0	109.8	G144 T145 V180	S142-G144 PolarHBondContact O-N 3.07Å; S142-T145 PolarHBondContact N-OG1 3.4Å; S142-T145 WeakPolarHBondContact O-CB 3.48Å; S142-T145 PolarHBondContact O-N 3.25Å; S142-T145 PolarHBondContact O-OG1 3.31Å; S142-V180 VanDerWaalsContact O-CB 3.29Å; S142-V180 WeakPolarHBondContact O-CB 2.88Å; S142-V180 WeakPolarHBondContact O-CG1 3.03Å
143	A	96.5	Very high	96.1	Very high	16 Å²	16	49.1 Å²	49.1	13%	0.132	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	135.4	173.4	0	0	0	0	0	112.3	S73 T145 G181 N182 H185	S73-A143 PolarHBondContact OG-N 2.97Å; A143-T145 PolarHBondContact O-N 3.27Å; A143-T145 VanDerWaalsContact O-N 3.11Å; A143-G181 WeakPolarHBondContact CA-O 3.22Å; A143-N182 HydrophobicContact CB-CB 4.09Å; A143-N182 WeakPolarHBondContact CB-O 3.35Å; A143-H185 HydrophobicContact CB-CB 3.78Å
144	G	95.1	Very high	95.9	Very high	25 Å²	25	50.1 Å²	50.1	26%	0.258	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	4.1	-179.8	0	0	0	0	0	116.3	S142 V180 G181	S142-G144 PolarHBondContact O-N 3.07Å; G144-V180 VanDerWaalsContact CA-O 3.29Å; G144-V180 WeakPolarHBondContact CA-O 3.4Å; G144-V180 PolarHBondContact N-O 3.35Å; G144-V180 VanDerWaalsContact N-O 3.12Å; G144-G181 PolarHBondContact N-O 2.8Å
145	T	97.3	Very high	96	Very high	20 Å²	20	56 Å²	56	12%	0.123	30%	0.304	C	S	.	.			trans	-86.1	145.1	179.4	63.5	0	0	0	0	111.9	I140 S142 A143 V180	I140-T145 WeakPolarHBondContact CG2-O 3.45Å; S142-T145 PolarHBondContact N-OG1 3.4Å; S142-T145 WeakPolarHBondContact O-CB 3.48Å; S142-T145 PolarHBondContact O-N 3.25Å; S142-T145 PolarHBondContact O-OG1 3.31Å; A143-T145 PolarHBondContact O-N 3.27Å; A143-T145 VanDerWaalsContact O-N 3.11Å; T145-V180 WeakPolarHBondContact O-CG2 3.37Å; T145-V180 PolarHBondContact O-N 3.18Å
146	S	97.4	Very high	96.1	Very high	36 Å²	36	52.4 Å²	52.4	25%	0.252	29%	0.287	S	S	.	.			trans	-144.6	167	172.7	66.8	0	0	0	0	110.8	V125 N162	V125-S146 VanDerWaalsContact CG1-CB 3.46Å; S146-N162 WeakPolarHBondContact O-CB 3.36Å; S146-N162 PolarHBondContact O-N 3.36Å
147	A	97.7	Very high	96.2	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.033	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.4	168.2	0	0	0	0	0	109.4	V125 I126 I129 I140 V159 R160 L161	V125-A147 CarbonylContact C-O 3.59Å; V125-A147 WeakPolarHBondContact CA-O 3.41Å; I126-A147 HydrophobicContact CG1-CB 4.26Å; I126-A147 PolarHBondContact N-O 3.13Å; I126-A147 PolarHBondContact O-N 3.45Å; I129-A147 HydrophobicContact CD1-CB 3.73Å; I140-A147 HydrophobicContact CD1-CB 4.07Å; I140-A147 HydrophobicContact CG1-CB 3.7Å; A147-V159 HydrophobicContact CB-CG1 3.75Å; A147-R160 CarbonylContact C-O 3.36Å; A147-R160 WeakPolarHBondContact CA-O 3.42Å; A147-R160 WeakPolarHBondContact CB-O 3.44Å; A147-L161 HydrophobicContact CB-CD2 4.44Å
148	Q	97.6	Very high	96.3	Very high	66 Å²	66	53.8 Å²	53.8	31%	0.308	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.9	-178.4	-167.3	176.3	27.2	0	0	110.6	G123 T124 L150 V159 R160	G123-Q148 PolarHBondContact O-NE2 2.92Å; T124-Q148 WeakPolarHBondContact O-CA 3.19Å; Q148-L150 PolarHBondContact O-N 3.37Å; Q148-V159 WeakPolarHBondContact O-CA 3.48Å; Q148-R160 PolarHBondContact N-O 3.38Å; Q148-R160 PolarHBondContact O-N 3.12Å
149	V	97.7	Very high	96.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.2	170.5	-178.8	0	0	0	0	108.4	L117 I120 V122 G123 T124 I126 V157	L117-V149 HydrophobicContact CD2-CG2 4.48Å; I120-V149 HydrophobicContact CG2-CG2 3.91Å; V122-V149 HydrophobicContact CG2-CG1 4.5Å; G123-V149 WeakPolarHBondContact CA-O 3.17Å; G123-V149 PolarHBondContact N-O 3.33Å; T124-V149 PolarHBondContact O-N 2.89Å; T124-V149 VanDerWaalsContact O-N 3.13Å; I126-V149 HydrophobicContact CD1-CG2 3.63Å; I126-V149 HydrophobicContact CG1-CG2 4.2Å; I126-V149 HydrophobicContact CG2-CG2 4.37Å; V149-V157 HydrophobicContact CG1-CG1 3.72Å
150	L	96.9	Very high	96.4	Very high	56 Å²	56	53.1 Å²	53.1	29%	0.293	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-32.2	-178.4	-66.5	-175.7	0	0	0	113.5	V122 Q148 L158 R160 V166	V122-L150 WeakPolarHBondContact CG1-O 3.32Å; Q148-L150 PolarHBondContact O-N 3.37Å; L150-L158 HydrophobicContact CB-CB 4.18Å; L150-L158 PolarHBondContact N-O 2.71Å; L150-R160 HydrophobicContact CD1-CB 3.92Å; L150-R160 HydrophobicContact CD2-CB 4.2Å; L150-R160 HydrophobicContact CG-CB 3.97Å; L150-V166 HydrophobicContact CD1-CG1 3.86Å; L150-V166 HydrophobicContact CD1-CG2 3.87Å
151	G	96.2	Very high	96.4	Very high	16 Å²	16	52.9 Å²	52.9	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	162.9	-175.6	0	0	0	0	0	111.3	V157 L158	G151-V157 WeakPolarHBondContact O-CG1 3.13Å; G151-L158 PolarHBondContact O-N 3.06Å
152	K	95.3	Very high	96.3	Very high	96 Å²	96	52.9 Å²	52.9	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.7	178.3	-57.9	179	-178.1	171.3	0	107.8	E118 I120 V122 V157	E118-K152 WeakPolarHBondContact O-CE 3.48Å; E118-K152 PolarHBondContact O-NZ 3.49Å; I120-K152 WeakPolarHBondContact O-CE 3.28Å; I120-K152 PolarHBondContact O-NZ 2.84Å; V122-K152 HydrophobicContact CG2-CG 4.35Å; K152-V157 HydrophobicContact CG-CG1 4.43Å; K152-V157 HydrophobicContact CG-CG2 4.13Å
153	E	91.9	Very high	96.2	Very high	123 Å²	123	52.5 Å²	52.5	58%	0.575	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	97.4	-175.9	-166.6	-178.7	174.4	0	0	109.6	K155 Y156	E153-K155 PolarHBondContact O-N 3.36Å; E153-Y156 CarbonylContact C-O 3.53Å; E153-Y156 PolarHBondContact N-O 3.03Å; E153-Y156 PolarHBondContact O-N 3.48Å; E153-Y156 VanDerWaalsContact O-O 3.06Å
154	G	91.6	Very high	96.1	Very high	82 Å²	82	53.2 Å²	53.2	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-113.6	-178.5	0	0	0	0	0	112.3	Y156	G154-Y156 VanDerWaalsContact C-N 3.31Å; G154-Y156 PolarHBondContact O-N 2.98Å
155	K	95.9	Very high	96.1	Very high	170 Å²	170	53.1 Å²	53.1	74%	0.739	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.8	-177.7	-61.9	-178.7	-179.6	179.6	0	114	E153 A171	E153-K155 PolarHBondContact O-N 3.36Å; K155-A171 PolarHBondContact O-N 3.46Å
156	Y	97.1	Very high	96.1	Very high	75 Å²	75	52.8 Å²	52.8	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.7	-174.6	-63	-83.5	0	0	0	111.8	E153 G154 M168 I169 L170 L254	E153-Y156 CarbonylContact C-O 3.53Å; E153-Y156 PolarHBondContact N-O 3.03Å; E153-Y156 PolarHBondContact O-N 3.48Å; E153-Y156 VanDerWaalsContact O-O 3.06Å; G154-Y156 VanDerWaalsContact C-N 3.31Å; G154-Y156 PolarHBondContact O-N 2.98Å; Y156-M168 HydrophobicContact CD1-CB 4.03Å; Y156-M168 HydrophobicContact CG-CB 4.09Å; Y156-I169 CarbonylContact C-O 3.52Å; Y156-I169 WeakPolarHBondContact CA-O 3.15Å; Y156-L170 HydrophobicContact CD1-CD2 3.98Å; Y156-L170 HydrophobicContact CD1-CG 4.36Å; Y156-L170 HydrophobicContact CE1-CD2 3.5Å; Y156-L170 VanDerWaalsContact CE1-CD2 3.5Å; Y156-L170 HydrophobicContact CE1-CG 4Å; Y156-L254 HydrophobicContact CD1-CD2 4.38Å; Y156-L254 HydrophobicContact CE1-CD2 3.74Å
157	V	97.5	Very high	96	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.5	172.8	178.7	0	0	0	0	107.6	L117 V149 G151 K152 V159 I169 A171	L117-V157 HydrophobicContact CB-CB 4.18Å; L117-V157 HydrophobicContact CB-CG1 4.38Å; L117-V157 HydrophobicContact CB-CG2 3.93Å; L117-V157 HydrophobicContact CD1-CB 4.41Å; V149-V157 HydrophobicContact CG1-CG1 3.72Å; G151-V157 WeakPolarHBondContact O-CG1 3.13Å; K152-V157 HydrophobicContact CG-CG1 4.43Å; K152-V157 HydrophobicContact CG-CG2 4.13Å; V157-V159 HydrophobicContact CG1-CG2 4.15Å; V157-I169 PolarHBondContact N-O 3.13Å; V157-I169 PolarHBondContact O-N 2.82Å; V157-A171 HydrophobicContact CG2-CB 3.89Å
158	L	97.4	Very high	96	Very high	34 Å²	34	54.1 Å²	54.1	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.9	175.8	-68.7	171	0	0	0	108.8	L150 G151 V166 M168 V256	L150-L158 HydrophobicContact CB-CB 4.18Å; L150-L158 PolarHBondContact N-O 2.71Å; G151-L158 PolarHBondContact O-N 3.06Å; L158-V166 HydrophobicContact CD2-CG1 4.27Å; L158-M168 HydrophobicContact CD2-CG 3.49Å; L158-M168 VanDerWaalsContact CD2-CG 3.49Å; L158-V256 HydrophobicContact CD2-CB 4.48Å; L158-V256 HydrophobicContact CD2-CG2 3.58Å
159	V	97.6	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	179	179.2	0	0	0	0	109.5	L117 I126 I129 A147 Q148 V157 L161 V166 R167 I169	L117-V159 HydrophobicContact CD1-CG2 4.46Å; L117-V159 HydrophobicContact CD2-CG2 4.46Å; I126-V159 HydrophobicContact CD1-CG1 4.36Å; I126-V159 HydrophobicContact CD1-CG2 4.46Å; I129-V159 HydrophobicContact CD1-CG1 3.81Å; A147-V159 HydrophobicContact CB-CG1 3.75Å; Q148-V159 WeakPolarHBondContact O-CA 3.48Å; V157-V159 HydrophobicContact CG1-CG2 4.15Å; V159-L161 HydrophobicContact CG1-CD2 4.19Å; V159-V166 WeakPolarHBondContact O-CA 3.41Å; V159-R167 PolarHBondContact N-O 2.98Å; V159-R167 PolarHBondContact O-N 2.84Å; V159-I169 HydrophobicContact CB-CD1 3.95Å; V159-I169 HydrophobicContact CG1-CD1 4.42Å; V159-I169 HydrophobicContact CG2-CD1 3.95Å; V159-I169 HydrophobicContact CG2-CG1 4.45Å
160	R	97.4	Very high	96	Very high	108 Å²	108	54 Å²	54	41%	0.408	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116	168.2	-173.5	-176.7	-67	157.4	-1	109	A147 Q148 L150 V166	A147-R160 CarbonylContact C-O 3.36Å; A147-R160 WeakPolarHBondContact CA-O 3.42Å; A147-R160 WeakPolarHBondContact CB-O 3.44Å; Q148-R160 PolarHBondContact N-O 3.38Å; Q148-R160 PolarHBondContact O-N 3.12Å; L150-R160 HydrophobicContact CD1-CB 3.92Å; L150-R160 HydrophobicContact CD2-CB 4.2Å; L150-R160 HydrophobicContact CG-CB 3.97Å; R160-V166 HydrophobicContact CG-CG2 4.49Å
161	L	97	Very high	96	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.084	28%	0.28	C	S	.	.			trans	-79.4	161.4	176.2	-57.2	179	0	0	0	111.1	L139 I140 A147 V159 S163 G164 E165	L139-L161 HydrophobicContact CD1-CD2 4.15Å; I140-L161 HydrophobicContact CD1-CB 4.42Å; I140-L161 HydrophobicContact CD1-CD2 4.22Å; I140-L161 HydrophobicContact CG1-CD2 4.31Å; A147-L161 HydrophobicContact CB-CD2 4.44Å; V159-L161 HydrophobicContact CG1-CD2 4.19Å; L161-S163 PolarHBondContact O-N 2.66Å; L161-G164 WeakPolarHBondContact O-CA 3.38Å; L161-G164 PolarHBondContact O-N 3.05Å; L161-E165 HydrophobicContact CD1-CB 4.38Å; L161-E165 PolarHBondContact N-O 2.87Å
162	N	95.3	Very high	96	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24	174.2	-158.9	52.1	0	0	0	113.7	I140 S146 G164	I140-N162 HydrophobicContact CD1-CB 4.05Å; S146-N162 WeakPolarHBondContact O-CB 3.36Å; S146-N162 PolarHBondContact O-N 3.36Å; N162-G164 PolarHBondContact O-N 2.96Å
163	S	93.8	Very high	96.1	Very high	59 Å²	59	50.1 Å²	50.1	41%	0.413	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.3	173.9	61.6	0	0	0	0	113.9	L161 E165 R259	L161-S163 PolarHBondContact O-N 2.66Å; S163-E165 PolarHBondContact O-N 3.07Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 3.24Å; S163-R259 VanDerWaalsContact O-CB 3.28Å; S163-R259 WeakPolarHBondContact O-CB 3.29Å
164	G	93.8	Very high	96.3	Very high	31 Å²	31	46.3 Å²	46.3	32%	0.32	26%	0.255	S	S	.	.	S	Bend	trans	79.6	-0.4	-170.6	0	0	0	0	0	114.3	L161 N162	L161-G164 WeakPolarHBondContact O-CA 3.38Å; L161-G164 PolarHBondContact O-N 3.05Å; N162-G164 PolarHBondContact O-N 2.96Å
165	E	95.8	Very high	96.6	Very high	23 Å²	23	42.5 Å²	42.5	11%	0.107	22%	0.215	C	C	.	.			trans	-67.7	135.8	170.8	-178.8	175.4	126	0	0	110.1	L161 S163 R167 I255 R257 R259	L161-E165 HydrophobicContact CD1-CB 4.38Å; L161-E165 PolarHBondContact N-O 2.87Å; S163-E165 PolarHBondContact O-N 3.07Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 3.24Å; E165-R167 IonicContact OE1-NH1 2.63Å; E165-I255 HydrophobicContact CG-CG2 4.03Å; E165-I255 WeakPolarHBondContact OE1-CD1 3.43Å; E165-R257 CarbonylContact C-O 3.5Å; E165-R257 WeakPolarHBondContact CA-O 3.42Å; E165-R257 WeakPolarHBondContact CG-O 3.19Å; E165-R259 HydrophobicContact CB-CB 4.39Å
166	V	96.9	Very high	96.7	Very high	12 Å²	12	34.7 Å²	34.7	7%	0.073	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	169.9	-177.9	0	0	0	0	108.6	L150 L158 V159 R160 V256 R257	L150-V166 HydrophobicContact CD1-CG1 3.86Å; L150-V166 HydrophobicContact CD1-CG2 3.87Å; L158-V166 HydrophobicContact CD2-CG1 4.27Å; V159-V166 WeakPolarHBondContact O-CA 3.41Å; R160-V166 HydrophobicContact CG-CG2 4.49Å; V166-V256 HydrophobicContact CG1-CB 4.23Å; V166-V256 PolarHBondContact O-N 3.03Å; V166-R257 HydrophobicContact CB-CB 3.9Å; V166-R257 HydrophobicContact CG2-CB 4.05Å; V166-R257 PolarHBondContact N-O 3.09Å; V166-R257 PolarHBondContact O-N 3.26Å
167	R	96.7	Very high	96.7	Very high	31 Å²	31	31.8 Å²	31.8	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.7	-172.3	-171.5	175.3	-174.9	134.5	-5	111.2	V159 E165 L254 I255	V159-R167 PolarHBondContact N-O 2.98Å; V159-R167 PolarHBondContact O-N 2.84Å; E165-R167 IonicContact OE1-NH1 2.63Å; R167-L254 WeakPolarHBondContact CA-O 3.29Å; R167-L254 WeakPolarHBondContact CG-O 3.45Å; R167-I255 HydrophobicContact CG-CG1 4.35Å
168	M	97	Very high	96.7	Very high	38 Å²	38	32.1 Å²	32.1	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.9	167.4	-70.7	-173.8	-68.2	0	0	110	Y156 L158 K253 L254 V256	Y156-M168 HydrophobicContact CD1-CB 4.03Å; Y156-M168 HydrophobicContact CG-CB 4.09Å; L158-M168 HydrophobicContact CD2-CG 3.49Å; L158-M168 VanDerWaalsContact CD2-CG 3.49Å; M168-K253 WeakPolarHBondContact CE-O 3.49Å; M168-L254 HydrophobicContact CB-CB 4.46Å; M168-L254 HydrophobicContact CB-CD2 4.36Å; M168-L254 HydrophobicContact CE-CD2 4.39Å; M168-L254 PolarHBondContact N-O 3.26Å; M168-V256 HydrophobicContact CE-CG2 4.38Å; M168-V256 HydrophobicContact CG-CG2 3.96Å; M168-V256 HydrophobicContact SD-CG2 4.42Å
169	I	97.3	Very high	96.6	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145	175.6	-56.4	-179.1	0	0	0	107.6	L117 I129 E130 L139 Y156 V157 V159 A171 C173	L117-I169 HydrophobicContact CD1-CB 3.87Å; L117-I169 HydrophobicContact CD1-CG2 3.54Å; I129-I169 HydrophobicContact CG2-CD1 3.76Å; I129-I169 HydrophobicContact CG2-CG2 4.45Å; E130-I169 WeakPolarHBondContact O-CG2 3.16Å; L139-I169 HydrophobicContact CD1-CD1 4.05Å; Y156-I169 CarbonylContact C-O 3.52Å; Y156-I169 WeakPolarHBondContact CA-O 3.15Å; V157-I169 PolarHBondContact N-O 3.13Å; V157-I169 PolarHBondContact O-N 2.82Å; V159-I169 HydrophobicContact CB-CD1 3.95Å; V159-I169 HydrophobicContact CG1-CD1 4.42Å; V159-I169 HydrophobicContact CG2-CD1 3.95Å; V159-I169 HydrophobicContact CG2-CG1 4.45Å; I169-A171 PolarHBondContact O-N 3.48Å; I169-C173 HydrophobicContact CG2-CB 3.72Å
170	L	97.4	Very high	96.7	Very high	56 Å²	56	31.6 Å²	31.6	29%	0.293	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	139.1	178.8	-72.2	167.2	0	0	0	110.5	P133 Y156 T172 C173	P133-L170 HydrophobicContact CG-CD1 4.07Å; Y156-L170 HydrophobicContact CD1-CD2 3.98Å; Y156-L170 HydrophobicContact CD1-CG 4.36Å; Y156-L170 HydrophobicContact CE1-CD2 3.5Å; Y156-L170 VanDerWaalsContact CE1-CD2 3.5Å; Y156-L170 HydrophobicContact CE1-CG 4Å; L170-T172 PolarHBondContact O-N 3.01Å; L170-C173 VanDerWaalsContact O-CB 3.26Å; L170-C173 WeakPolarHBondContact O-CB 3.37Å; L170-C173 PolarHBondContact O-N 2.86Å
171	A	96.9	Very high	96.6	Very high	11 Å²	11	26.6 Å²	26.6	9%	0.091	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.6	-177.3	0	0	0	0	0	113	L117 E118 K155 V157 I169 C173	L117-A171 PolarHBondContact N-O 3.49Å; L117-A171 VanDerWaalsContact N-O 3.13Å; E118-A171 HydrophobicContact CB-CB 3.95Å; E118-A171 PolarHBondContact N-O 3.1Å; K155-A171 PolarHBondContact O-N 3.46Å; V157-A171 HydrophobicContact CG2-CB 3.89Å; I169-A171 PolarHBondContact O-N 3.48Å; A171-C173 VanDerWaalsContact C-N 3.32Å; A171-C173 PolarHBondContact O-N 3.45Å
172	T	96.7	Very high	96.5	Very high	77 Å²	77	26.9 Å²	26.9	47%	0.472	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.2	175.8	55.1	0	0	0	0	114.5	P133 L170	P133-T172 VanDerWaalsContact CG-OG1 3.31Å; P133-T172 WeakPolarHBondContact CG-OG1 3.19Å; L170-T172 PolarHBondContact O-N 3.01Å
173	C	97.2	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-66.2	143.2	173.3	-79.7	0	0	0	0	110.3	L117 E130 I169 L170 A171	L117-C173 HydrophobicContact CD1-CB 4Å; L117-C173 WeakPolarHBondContact CG-O 3.45Å; L117-C173 PolarHBondContact N-O 2.82Å; E130-C173 HydrophobicContact CB-CB 3.89Å; E130-C173 PolarHBondContact O-SG 3.06Å; E130-C173 VanDerWaalsContact O-SG 3.33Å; I169-C173 HydrophobicContact CG2-CB 3.72Å; L170-C173 VanDerWaalsContact O-CB 3.26Å; L170-C173 WeakPolarHBondContact O-CB 3.37Å; L170-C173 PolarHBondContact O-N 2.86Å; A171-C173 VanDerWaalsContact C-N 3.32Å; A171-C173 PolarHBondContact O-N 3.45Å
174	R	96.5	Very high	96.5	Very high	43 Å²	43	29.4 Å²	29.4	16%	0.162	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.5	175.8	-65.6	178.2	176.5	-126.7	-8.8	112.8	R54 D57 L115 E130	R54-R174 PolarHBondContact O-NH1 2.79Å; D57-R174 IonicContact OD1-CZ 3.38Å; D57-R174 IonicContact OD1-NH1 2.94Å; D57-R174 PolarHBondContact OD1-NH1 2.93Å; D57-R174 IonicContact OD1-NH2 2.85Å; D57-R174 PolarHBondContact OD1-NH2 2.9Å; D57-R174 IonicContact OD2-CZ 3.85Å; D57-R174 IonicContact OD2-NH1 2.75Å; D57-R174 IonicContact OD2-NH2 3.01Å; D57-R174 PolarHBondContact OD2-NH2 2.97Å; L115-R174 WeakPolarHBondContact O-CA 3.2Å; E130-R174 HydrophobicContact CG-CB 4.08Å; E130-R174 PolarHBondContact N-O 3.2Å; E130-R174 PolarHBondContact OE2-N 3.38Å
175	A	97.6	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.3	167.7	0	0	0	0	0	110	A114 L115 L117 I120 I126 I129	A114-A175 WeakPolarHBondContact CA-O 3.48Å; L115-A175 PolarHBondContact N-O 2.84Å; L115-A175 PolarHBondContact O-N 2.68Å; L117-A175 HydrophobicContact CD2-CB 3.74Å; L117-A175 HydrophobicContact CG-CB 4.37Å; I120-A175 HydrophobicContact CD1-CB 3.97Å; I126-A175 HydrophobicContact CB-CB 4.2Å; I126-A175 HydrophobicContact CD1-CB 3.92Å; I126-A175 HydrophobicContact CG2-CB 4.47Å; I129-A175 HydrophobicContact CB-CB 4.47Å; I129-A175 HydrophobicContact CG1-CB 4Å; I129-A175 HydrophobicContact CG2-CB 4.38Å
176	T	97.6	Very high	96.5	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.043	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.8	176.5	-49.5	0	0	0	0	109.3	G112 N113 I126 H127	G112-T176 WeakPolarHBondContact O-CG2 3.45Å; N113-T176 WeakPolarHBondContact O-CA 3.45Å; N113-T176 WeakPolarHBondContact O-CG2 3.45Å; I126-T176 CarbonylContact C-O 3.56Å; I126-T176 VanDerWaalsContact CA-O 3.26Å; I126-T176 WeakPolarHBondContact CA-O 3.43Å; H127-T176 VanDerWaalsContact CE1-CB 3.47Å; H127-T176 WeakPolarHBondContact CE1-CB 3.41Å; H127-T176 WeakPolarHBondContact CE1-CG2 3.46Å; H127-T176 PolarHBondContact N-O 3.49Å; H127-T176 PolarHBondContact ND1-O 2.85Å; H127-T176 PolarHBondContact O-N 2.91Å
177	I	97.5	Very high	96.4	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.6	-179.3	-64.6	163.9	0	0	0	110.4	I109 K110 G112 N113 L115 H127	I109-I177 VanDerWaalsContact CA-CD1 3.46Å; I109-I177 HydrophobicContact CB-CD1 4.03Å; I109-I177 HydrophobicContact CD1-CD1 3.84Å; I109-I177 HydrophobicContact CG2-CD1 3.69Å; K110-I177 WeakPolarHBondContact O-CB 3.2Å; G112-I177 PolarHBondContact N-O 2.85Å; N113-I177 PolarHBondContact O-N 3.12Å; L115-I177 HydrophobicContact CD1-CD1 3.51Å; L115-I177 HydrophobicContact CD1-CG1 4.2Å; H127-I177 PolarHBondContact CE1-O 3.32Å
178	G	96.8	Very high	96.4	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	23%	0.231	C	C	.	.	S	Bend	trans	106.1	172.8	179.1	0	0	0	0	0	113.2	V125 I126 H127	V125-G178 PolarHBondContact O-N 3.3Å; I126-G178 CarbonylContact C-O 3.54Å; I126-G178 VanDerWaalsContact C-O 3.24Å; H127-G178 PolarHBondContact N-O 3.15Å; H127-G178 PolarHBondContact ND1-O 3.22Å
179	S	96.9	Very high	96.3	Very high	23 Å²	23	48.4 Å²	48.4	16%	0.161	25%	0.248	C	C	.	.			trans	-90.5	155.4	169.9	55.1	0	0	0	0	110.9	P92 K93	P92-S179 CarbonylContact C-O 3.49Å; P92-S179 WeakPolarHBondContact CA-O 3.43Å; P92-S179 WeakPolarHBondContact CB-O 3.36Å; K93-S179 WeakPolarHBondContact CB-OG 3.16Å; K93-S179 PolarHBondContact N-O 3.02Å
180	V	97.7	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-69.7	134.5	171.9	-175.1	0	0	0	0	109.3	A74 H127 S142 G144 T145	A74-V180 HydrophobicContact CB-CG1 3.42Å; A74-V180 VanDerWaalsContact CB-CG1 3.42Å; H127-V180 HydrophobicContact CB-CG2 3.68Å; S142-V180 VanDerWaalsContact O-CB 3.29Å; S142-V180 WeakPolarHBondContact O-CB 2.88Å; S142-V180 WeakPolarHBondContact O-CG1 3.03Å; G144-V180 VanDerWaalsContact CA-O 3.29Å; G144-V180 WeakPolarHBondContact CA-O 3.4Å; G144-V180 PolarHBondContact N-O 3.35Å; G144-V180 VanDerWaalsContact N-O 3.12Å; T145-V180 WeakPolarHBondContact O-CG2 3.37Å; T145-V180 PolarHBondContact O-N 3.18Å
181	G	96.2	Very high	96.1	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	27%	0.271	C	S	.	.	S	Bend	trans	-68.3	-168.5	-179.8	0	0	0	0	0	114.6	A91 A143 G144	A91-G181 PolarHBondContact O-N 3.16Å; A143-G181 WeakPolarHBondContact CA-O 3.22Å; G144-G181 PolarHBondContact N-O 2.8Å
182	N	95.1	Very high	96.1	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.118	29%	0.288	C	S	.	.			trans	56.8	45.1	-176.2	-166.2	16.6	0	0	0	113.7	S73 A143 Q184 H185	S73-N182 PolarHBondContact O-ND2 2.77Å; A143-N182 HydrophobicContact CB-CB 4.09Å; A143-N182 WeakPolarHBondContact CB-O 3.35Å; N182-Q184 PolarHBondContact O-N 2.93Å; N182-H185 VanDerWaalsContact O-CB 3.31Å; N182-H185 WeakPolarHBondContact O-CB 3.39Å; N182-H185 PolarHBondContact O-N 3.08Å; N182-H185 VanDerWaalsContact O-N 3.09Å
183	E	94.5	Very high	96.1	Very high	90 Å²	90	55 Å²	55	42%	0.421	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.2	-33.4	-174.7	-67.1	-177.7	158.3	0	0	113.3	K93 H185	K93-E183 WeakPolarHBondContact CD-OE1 3.36Å; K93-E183 IonicContact NZ-OE1 3.47Å; K93-E183 PolarHBondContact NZ-OE1 3.05Å; K93-E183 IonicContact NZ-OE2 3.01Å; K93-E183 PolarHBondContact NZ-OE2 3.47Å; E183-H185 PolarHBondContact O-N 3.26Å; E183-H185 VanDerWaalsContact O-N 3.14Å
184	Q	94.4	Very high	96	Very high	120 Å²	120	56.4 Å²	56.4	56%	0.561	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73.6	-0.8	-178.5	-61.7	-178.2	-5.1	0	0	113.9	N182 E186 L187	N182-Q184 PolarHBondContact O-N 2.93Å; Q184-E186 PolarHBondContact O-N 3.34Å; Q184-E186 VanDerWaalsContact O-N 3.12Å; Q184-L187 HydrophobicContact CB-CD1 4.2Å; Q184-L187 HydrophobicContact CG-CD1 4.2Å; Q184-L187 WeakPolarHBondContact O-CB 3.5Å; Q184-L187 PolarHBondContact O-N 3.49Å
185	H	95.4	Very high	96	Very high	81 Å²	81	56.6 Å²	56.6	38%	0.375	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-54.2	-33.7	178.7	-176.1	74.8	0	0	0	113.2	S73 A143 N182 E183 L187 I188	S73-H185 WeakPolarHBondContact CB-NE2 3.35Å; A143-H185 HydrophobicContact CB-CB 3.78Å; N182-H185 VanDerWaalsContact O-CB 3.31Å; N182-H185 WeakPolarHBondContact O-CB 3.39Å; N182-H185 PolarHBondContact O-N 3.08Å; N182-H185 VanDerWaalsContact O-N 3.09Å; E183-H185 PolarHBondContact O-N 3.26Å; E183-H185 VanDerWaalsContact O-N 3.14Å; H185-L187 VanDerWaalsContact C-N 3.3Å; H185-L187 PolarHBondContact O-N 3.29Å; H185-I188 WeakPolarHBondContact O-CG1 3.31Å; H185-I188 PolarHBondContact O-N 3.16Å
186	E	94.1	Very high	95.9	Very high	179 Å²	179	58.2 Å²	58.2	84%	0.836	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-68.3	-27.3	178	-176	171	-169.8	0	0	113.1	Q184 I188	Q184-E186 PolarHBondContact O-N 3.34Å; Q184-E186 VanDerWaalsContact O-N 3.12Å; E186-I188 PolarHBondContact O-N 3.35Å
187	L	95.6	Very high	95.9	Very high	130 Å²	130	63.4 Å²	63.4	68%	0.681	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-77	-4.1	-177.8	-55.2	177.1	0	0	0	113.1	T2 Q184 H185 N189	T2-L187 PolarHBondContact OG1-O 3.43Å; Q184-L187 HydrophobicContact CB-CD1 4.2Å; Q184-L187 HydrophobicContact CG-CD1 4.2Å; Q184-L187 WeakPolarHBondContact O-CB 3.5Å; Q184-L187 PolarHBondContact O-N 3.49Å; H185-L187 VanDerWaalsContact C-N 3.3Å; H185-L187 PolarHBondContact O-N 3.29Å; L187-N189 PolarHBondContact O-N 3.19Å
188	I	95.2	Very high	95.8	Very high	43 Å²	43	69.7 Å²	69.7	22%	0.221	37%	0.366	C	S	.	.			trans	-74.9	111.5	-176.1	-60.6	174.4	0	0	0	110.7	S4 H185 E186	S4-I188 WeakPolarHBondContact OG-CD1 3.46Å; H185-I188 WeakPolarHBondContact O-CG1 3.31Å; H185-I188 PolarHBondContact O-N 3.16Å; E186-I188 PolarHBondContact O-N 3.35Å
189	N	95.6	Very high	95.7	Very high	102 Å²	102	72.3 Å²	72.3	55%	0.545	38%	0.377	S	S	.	.			trans	-89.6	111.5	168.4	-173.2	-13.2	0	0	0	110.4	T2 L187 G191	T2-N189 PolarHBondContact N-O 3.09Å; T2-N189 PolarHBondContact OG1-N 3.12Å; L187-N189 PolarHBondContact O-N 3.19Å; N189-G191 PolarHBondContact O-N 3.17Å; N189-G191 VanDerWaalsContact O-N 3.15Å; N189-G191 PolarHBondContact OD1-N 2.82Å
190	I	94.8	Very high	95.6	Very high	51 Å²	51	72.9 Å²	72.9	26%	0.262	38%	0.376	S	S	.	.			trans	-52.6	-37.4	179.2	-59.6	169.7	0	0	0	111.5	K192 R195 M199	I190-K192 PolarHBondContact O-N 3.14Å; I190-R195 HydrophobicContact CG2-CB 3.66Å; I190-R195 HydrophobicContact CG2-CG 3.92Å; I190-R195 WeakPolarHBondContact O-CD 3.46Å; I190-M199 HydrophobicContact CD1-CE 3.54Å; I190-M199 HydrophobicContact CG1-CE 3.83Å; I190-M199 HydrophobicContact CG2-CE 4.16Å
191	G	95.6	Very high	95.5	Very high	53 Å²	53	78.1 Å²	78.1	55%	0.546	40%	0.398	S	S	.	.			trans	72.5	-42.4	173.7	0	0	0	0	0	116.4	N189	N189-G191 PolarHBondContact O-N 3.17Å; N189-G191 VanDerWaalsContact O-N 3.15Å; N189-G191 PolarHBondContact OD1-N 2.82Å
192	K	96.8	Very high	95.5	Very high	101 Å²	101	83.8 Å²	83.8	44%	0.439	42%	0.419	S	S	.	.	S	Bend	trans	-131.1	147.4	-178.1	76.4	-176	177.9	-175	0	113.3	M1 I190 G194 R195	M1-K192 HydrophobicContact CE-CB 4.14Å; M1-K192 HydrophobicContact CE-CD 3.49Å; M1-K192 VanDerWaalsContact CE-CD 3.49Å; M1-K192 HydrophobicContact CE-CG 3.54Å; I190-K192 PolarHBondContact O-N 3.14Å; K192-G194 VanDerWaalsContact C-N 3.27Å; K192-G194 PolarHBondContact O-N 3.46Å; K192-R195 HydrophobicContact CG-CB 4.05Å; K192-R195 PolarHBondContact O-N 2.73Å; K192-R195 VanDerWaalsContact O-N 3.13Å
193	A	96.5	Very high	95.7	Very high	84 Å²	84	87 Å²	87	69%	0.694	44%	0.441	S	S	*	.	H	α-helix	trans	-56.7	-38.5	179.5	0	0	0	0	0	113.2	R195 S196 R197	A193-R195 VanDerWaalsContact C-N 3.28Å; A193-R195 PolarHBondContact O-N 3.01Å; A193-S196 WeakPolarHBondContact O-CB 3.45Å; A193-S196 PolarHBondContact O-N 3.38Å; A193-S196 VanDerWaalsContact O-N 3.13Å; A193-R197 PolarHBondContact O-N 3.37Å
194	G	96.4	Very high	95.8	Very high	30 Å²	30	87.5 Å²	87.5	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-58.8	-35.9	178.8	0	0	0	0	0	113.6	K192 S196 R197 W198	K192-G194 VanDerWaalsContact C-N 3.27Å; K192-G194 PolarHBondContact O-N 3.46Å; G194-S196 VanDerWaalsContact C-N 3.31Å; G194-S196 PolarHBondContact O-N 3.43Å; G194-R197 WeakPolarHBondContact O-CA 3.48Å; G194-R197 VanDerWaalsContact O-CB 3.31Å; G194-R197 WeakPolarHBondContact O-CB 3.4Å; G194-R197 PolarHBondContact O-N 3.11Å; G194-W198 VanDerWaalsContact O-CD1 3.27Å; G194-W198 PolarHBondContact O-N 2.83Å
195	R	95.6	Very high	95.9	Very high	47 Å²	47	85.6 Å²	85.6	18%	0.177	45%	0.447	C	S	.	.	H	α-helix	trans	-68.5	-32	178.9	-173.1	174.9	-176.9	-172.1	-2.5	111.8	T2 I190 K192 A193 R197 W198 M199	T2-R195 PolarHBondContact O-NH1 3.27Å; I190-R195 HydrophobicContact CG2-CB 3.66Å; I190-R195 HydrophobicContact CG2-CG 3.92Å; I190-R195 WeakPolarHBondContact O-CD 3.46Å; K192-R195 HydrophobicContact CG-CB 4.05Å; K192-R195 PolarHBondContact O-N 2.73Å; K192-R195 VanDerWaalsContact O-N 3.13Å; A193-R195 VanDerWaalsContact C-N 3.28Å; A193-R195 PolarHBondContact O-N 3.01Å; R195-R197 VanDerWaalsContact C-N 3.32Å; R195-R197 PolarHBondContact O-N 3.4Å; R195-W198 HydrophobicContact CB-CE3 4.02Å; R195-W198 HydrophobicContact CB-CZ3 4.32Å; R195-W198 HydrophobicContact CG-CE3 3.93Å; R195-W198 HydrophobicContact CG-CZ3 4.31Å; R195-W198 PolarHBondContact O-N 2.87Å; R195-M199 PolarHBondContact O-N 3.02Å
196	S	95.9	Very high	96	Very high	34 Å²	34	89.4 Å²	89.4	24%	0.238	46%	0.458	C	S	.	.	H	α-helix	trans	-62.1	-40	168.8	-64.5	0	0	0	0	112.2	A193 G194 W198 M199 K201	A193-S196 WeakPolarHBondContact O-CB 3.45Å; A193-S196 PolarHBondContact O-N 3.38Å; A193-S196 VanDerWaalsContact O-N 3.13Å; G194-S196 VanDerWaalsContact C-N 3.31Å; G194-S196 PolarHBondContact O-N 3.43Å; S196-W198 VanDerWaalsContact C-N 3.34Å; S196-W198 PolarHBondContact O-N 2.84Å; S196-M199 PolarHBondContact O-N 3.47Å; S196-M199 VanDerWaalsContact O-N 3.16Å; S196-K201 CarbonylContact C-O 3.49Å; S196-K201 WeakPolarHBondContact O-CB 3.47Å; S196-K201 PolarHBondContact O-N 3.31Å
197	R	96.6	Very high	96.1	Very high	117 Å²	117	81.4 Å²	81.4	44%	0.442	42%	0.424	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.8	-58	-59	-57.7	-81.7	-6.8	111.8	G42 A193 G194 R195 M199 R200 K201	G42-R197 WeakPolarHBondContact CA-O 3.46Å; G42-R197 PolarHBondContact N-O 2.87Å; A193-R197 PolarHBondContact O-N 3.37Å; G194-R197 WeakPolarHBondContact O-CA 3.48Å; G194-R197 VanDerWaalsContact O-CB 3.31Å; G194-R197 WeakPolarHBondContact O-CB 3.4Å; G194-R197 PolarHBondContact O-N 3.11Å; R195-R197 VanDerWaalsContact C-N 3.32Å; R195-R197 PolarHBondContact O-N 3.4Å; R197-M199 PolarHBondContact O-N 3.06Å; R197-R200 PolarHBondContact O-N 3.47Å; R197-R200 VanDerWaalsContact O-N 3.08Å; R197-K201 WeakPolarHBondContact CD-O 3.31Å
198	W	96.5	Very high	96.1	Very high	144 Å²	144	77.4 Å²	77.4	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-30.5	175.8	-56.3	-20.1	0	0	0	112.7	G42 H43 G194 R195 S196 R200	G42-W198 WeakPolarHBondContact CA-O 3.45Å; H43-W198 PolarHBondContact N-O 2.8Å; H43-W198 VanDerWaalsContact N-O 3.13Å; G194-W198 VanDerWaalsContact O-CD1 3.27Å; G194-W198 PolarHBondContact O-N 2.83Å; R195-W198 HydrophobicContact CB-CE3 4.02Å; R195-W198 HydrophobicContact CB-CZ3 4.32Å; R195-W198 HydrophobicContact CG-CE3 3.93Å; R195-W198 HydrophobicContact CG-CZ3 4.31Å; R195-W198 PolarHBondContact O-N 2.87Å; S196-W198 VanDerWaalsContact C-N 3.34Å; S196-W198 PolarHBondContact O-N 2.84Å; W198-R200 VanDerWaalsContact C-N 3.27Å; W198-R200 PolarHBondContact O-N 3.19Å
199	M	94.3	Very high	96.1	Very high	64 Å²	64	79.5 Å²	79.5	32%	0.315	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	12.9	176.9	-63.4	-173.6	-72	0	0	114.6	I190 R195 S196 R197 K201	I190-M199 HydrophobicContact CD1-CE 3.54Å; I190-M199 HydrophobicContact CG1-CE 3.83Å; I190-M199 HydrophobicContact CG2-CE 4.16Å; R195-M199 PolarHBondContact O-N 3.02Å; S196-M199 PolarHBondContact O-N 3.47Å; S196-M199 VanDerWaalsContact O-N 3.16Å; R197-M199 PolarHBondContact O-N 3.06Å; M199-K201 VanDerWaalsContact C-N 3.25Å; M199-K201 PolarHBondContact O-N 3.3Å
200	R	94.8	Very high	96.2	Very high	35 Å²	35	76.6 Å²	76.6	13%	0.132	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	16	-177.7	-45.4	-174.1	170.8	166.4	-2	114.9	Q39 G40 G41 H43 R197 W198	Q39-R200 PolarHBondContact OE1-O 3.34Å; G40-R200 PolarHBondContact N-O 3.03Å; G40-R200 CarbonylContact O-C 3.24Å; G40-R200 WeakPolarHBondContact O-CA 3.39Å; G41-R200 WeakPolarHBondContact O-CG 3.35Å; H43-R200 PolarHBondContact O-NH2 3.35Å; H43-R200 VanDerWaalsContact O-NH2 3.12Å; R197-R200 PolarHBondContact O-N 3.47Å; R197-R200 VanDerWaalsContact O-N 3.08Å; W198-R200 VanDerWaalsContact C-N 3.27Å; W198-R200 PolarHBondContact O-N 3.19Å
201	K	96	Very high	96.3	Very high	110 Å²	110	79.1 Å²	79.1	48%	0.478	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-96.3	113.9	175.4	-59.9	179.7	-177.8	177.7	0	109.2	S196 R197 M199	S196-K201 CarbonylContact C-O 3.49Å; S196-K201 WeakPolarHBondContact O-CB 3.47Å; S196-K201 PolarHBondContact O-N 3.31Å; R197-K201 WeakPolarHBondContact CD-O 3.31Å; M199-K201 VanDerWaalsContact C-N 3.25Å; M199-K201 PolarHBondContact O-N 3.3Å
202	R	96.8	Very high	96.3	Very high	122 Å²	122	81 Å²	81	46%	0.46	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-82.2	159.5	171.7	-67.1	175.2	68.4	-171.2	0.1	109.6	H38 Q39	H38-R202 HydrophobicContact CB-CB 4.3Å; H38-R202 WeakPolarHBondContact O-CB 3.47Å; H38-R202 PolarHBondContact O-N 3.47Å; Q39-R202 WeakPolarHBondContact O-CD 3.39Å
203	P	97.5	Very high	96.3	Very high	90 Å²	90	82.3 Å²	82.3	58%	0.584	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-58	143.6	176.4	24.1	-35	0	0	0	111.1	H38	H38-P203 PolarHBondContact CD2-O 3.04Å
204	T	97.2	Very high	96.3	Very high	100 Å²	100	82.5 Å²	82.5	61%	0.613	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-103.9	131.2	170.8	-63.3	0	0	0	0	108.6	H38	H38-T204 VanDerWaalsContact CG-OG1 3.3Å; H38-T204 PolarHBondContact ND1-OG1 3.41Å
205	V	96.9	Very high	96.3	Very high	80 Å²	80	81.8 Å²	81.8	49%	0.485	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-94.6	138	175.8	-174.4	0	0	0	0	109	V209 M210	V205-V209 HydrophobicContact CG1-CG2 3.6Å; V205-M210 HydrophobicContact CB-CE 3.7Å; V205-M210 HydrophobicContact CG1-CE 3.82Å
206	R	96.9	Very high	96.3	Very high	161 Å²	161	80.7 Å²	80.7	61%	0.608	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-69.4	143.8	177.7	-69.7	-174.3	-70.7	124.3	-4.3	110.1	S208 V209	R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact NH1-OG 3.29Å; R206-S208 VanDerWaalsContact NH1-OG 3.09Å; R206-S208 PolarHBondContact O-N 3.24Å; R206-V209 HydrophobicContact CB-CG2 4.38Å; R206-V209 WeakPolarHBondContact O-CG2 3.41Å; R206-V209 PolarHBondContact O-N 3.13Å
207	G	95.7	Very high	96.3	Very high	12 Å²	12	80.5 Å²	80.5	12%	0.124	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-64.8	-28.6	176.7	0	0	0	0	0	114.3	V209 M210 H215	G207-V209 PolarHBondContact O-N 2.76Å; G207-M210 PolarHBondContact O-N 2.86Å; G207-H215 VanDerWaalsContact CA-CD2 3.43Å; G207-H215 WeakPolarHBondContact CA-CD2 3.42Å
208	S	95.7	Very high	96.2	Very high	45 Å²	45	75.6 Å²	75.6	32%	0.315	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-72	-7.8	-177.8	68.4	0	0	0	0	114.9	R206 H217	R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact NH1-OG 3.29Å; R206-S208 VanDerWaalsContact NH1-OG 3.09Å; R206-S208 PolarHBondContact O-N 3.24Å; S208-H217 WeakPolarHBondContact CA-O 3.4Å
209	V	96.2	Very high	96.1	Very high	88 Å²	88	69.8 Å²	69.8	53%	0.533	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-110.4	3.7	178.7	-58.5	0	0	0	0	111.9	V205 R206 G207	V205-V209 HydrophobicContact CG1-CG2 3.6Å; R206-V209 HydrophobicContact CB-CG2 4.38Å; R206-V209 WeakPolarHBondContact O-CG2 3.41Å; R206-V209 PolarHBondContact O-N 3.13Å; G207-V209 PolarHBondContact O-N 2.76Å
210	M	97.2	Very high	96	Very high	41 Å²	41	69.7 Å²	69.7	20%	0.202	39%	0.391	C	S	.	.	S	Bend	trans	-90.7	174.6	177.7	-59.3	178.1	176.3	0	0	109.8	V205 G207 D214 H215 G218 G219	V205-M210 HydrophobicContact CB-CE 3.7Å; V205-M210 HydrophobicContact CG1-CE 3.82Å; G207-M210 PolarHBondContact O-N 2.86Å; M210-D214 HydrophobicContact CB-CB 3.99Å; M210-D214 HydrophobicContact SD-CB 4.23Å; M210-H215 HydrophobicContact CB-CB 4.11Å; M210-H215 HydrophobicContact CG-CB 4.47Å; M210-H215 HydrophobicContact SD-CB 3.79Å; M210-G218 CarbonylContact O-C 3.55Å; M210-G218 WeakPolarHBondContact O-CA 3.05Å; M210-G219 PolarHBondContact O-N 3.13Å
211	N	96.8	Very high	95.9	Very high	104 Å²	104	77.5 Å²	77.5	56%	0.556	43%	0.429	S	S	*	.			trans	-82.9	161.6	170.8	-70.5	-29.8	0	0	0	110.9	N213 D214 H215	N211-N213 WeakPolarHBondContact CB-OD1 3.35Å; N211-N213 PolarHBondContact O-N 3.47Å; N211-N213 VanDerWaalsContact O-N 3.13Å; N211-D214 PolarHBondContact O-N 3.25Å; N211-D214 VanDerWaalsContact O-N 3.09Å; N211-H215 PolarHBondContact O-N 3.46Å
212	P	95.3	Very high	95.8	Very high	93 Å²	93	76 Å²	76	60%	0.604	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	-176.8	-26.8	34.4	0	0	0	115.3
213	N	96.9	Very high	95.7	Very high	127 Å²	127	79.7 Å²	79.7	68%	0.679	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.3	178	64.8	-47.6	0	0	0	112.9	N211	N211-N213 WeakPolarHBondContact CB-OD1 3.35Å; N211-N213 PolarHBondContact O-N 3.47Å; N211-N213 VanDerWaalsContact O-N 3.13Å
214	D	96.8	Very high	95.5	Very high	89 Å²	89	77 Å²	77	48%	0.476	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-32.3	-173.4	-58.5	-46.8	0	0	0	112.5	M210 N211	M210-D214 HydrophobicContact CB-CB 3.99Å; M210-D214 HydrophobicContact SD-CB 4.23Å; N211-D214 PolarHBondContact O-N 3.25Å; N211-D214 VanDerWaalsContact O-N 3.09Å
215	H	96.6	Very high	95.3	Very high	15 Å²	15	77.6 Å²	77.6	7%	0.069	46%	0.455	C	S	.	.			trans	-147.3	141.6	179.8	-160	-79.2	0	0	0	111.2	G207 M210 N211 H217 G218 V232	G207-H215 VanDerWaalsContact CA-CD2 3.43Å; G207-H215 WeakPolarHBondContact CA-CD2 3.42Å; M210-H215 HydrophobicContact CB-CB 4.11Å; M210-H215 HydrophobicContact CG-CB 4.47Å; M210-H215 HydrophobicContact SD-CB 3.79Å; N211-H215 PolarHBondContact O-N 3.46Å; H215-H217 AromaticContact CE1-CE1 3.97Å; H215-H217 AromaticContact CE1-CG 3.74Å; H215-H217 AromaticContact CE1-ND1 3.47Å; H215-H217 PolarHBondContact CE1-ND1 2.93Å; H215-H217 AromaticContact ND1-CG 3.61Å; H215-H217 PolarHBondContact ND1-N 3.12Å; H215-H217 VanDerWaalsContact ND1-N 3.15Å; H215-H217 AromaticContact ND1-ND1 3.8Å; H215-H217 PolarHBondContact O-N 2.94Å; H215-G218 PolarHBondContact O-N 3.2Å; H215-V232 PolarHBondContact CE1-O 3.02Å
216	P	95.8	Very high	95.2	Very high	24 Å²	24	76.6 Å²	76.6	16%	0.156	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.9	179.2	-11.7	21.8	0	0	0	115.8	R228 V232	P216-R228 VanDerWaalsContact CB-CZ 3.43Å; P216-R228 PolarHBondContact O-NE 3.11Å; P216-R228 PolarHBondContact O-NH2 3.05Å; P216-V232 HydrophobicContact CB-CG2 3.52Å; P216-V232 HydrophobicContact CG-CG2 3.65Å
217	H	95.9	Very high	94.8	Very high	29 Å²	29	72.4 Å²	72.4	13%	0.134	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.4	173.2	-58	162.1	0	0	0	111.3	S208 H215 V232	S208-H217 WeakPolarHBondContact CA-O 3.4Å; H215-H217 AromaticContact CE1-CE1 3.97Å; H215-H217 AromaticContact CE1-CG 3.74Å; H215-H217 AromaticContact CE1-ND1 3.47Å; H215-H217 PolarHBondContact CE1-ND1 2.93Å; H215-H217 AromaticContact ND1-CG 3.61Å; H215-H217 PolarHBondContact ND1-N 3.12Å; H215-H217 VanDerWaalsContact ND1-N 3.15Å; H215-H217 AromaticContact ND1-ND1 3.8Å; H215-H217 PolarHBondContact O-N 2.94Å; H217-V232 PolarHBondContact CE1-N 2.99Å; H217-V232 VanDerWaalsContact CE1-N 3.26Å; H217-V232 PolarHBondContact CE1-O 2.82Å; H217-V232 VanDerWaalsContact CE1-O 3.22Å; H217-V232 WeakPolarHBondContact NE2-CG2 3.28Å; H217-V232 PolarHBondContact NE2-N 3.31Å
218	G	94.4	Very high	94.5	Very high	14 Å²	14	78.6 Å²	78.6	14%	0.144	48%	0.476	C	S	.	.			trans	-79.2	161	-177.1	0	0	0	0	0	112.5	M210 H215	M210-G218 CarbonylContact O-C 3.55Å; M210-G218 WeakPolarHBondContact O-CA 3.05Å; H215-G218 PolarHBondContact O-N 3.2Å
219	G	94.6	Very high	94.2	Very high	22 Å²	22	87.5 Å²	87.5	23%	0.227	51%	0.509	C	S	.	.			trans	81	-166.3	-176	0	0	0	0	0	114.5	M210	M210-G219 PolarHBondContact O-N 3.13Å
220	G	92.6	Very high	94	Very high	62 Å²	62	85 Å²	85	64%	0.639	50%	0.498	S	S	*	.	S	Bend	trans	85.4	147.5	-167.7	0	0	0	0	0	112
221	E	93.2	Very high	93.9	Very high	199 Å²	199	85.3 Å²	85.3	93%	0.93	50%	0.503	S	S	*	.	S	Bend	trans	-73.2	129.2	175.9	-64.6	-164.6	163.4	0	0	110.6
222	G	93.7	Very high	93.9	Very high	78 Å²	78	81.2 Å²	81.2	80%	0.804	48%	0.482	S	S	*	.	S	Bend	trans	63.8	-136.3	-176.1	0	0	0	0	0	113
223	K	94.1	Very high	94	Very high	200 Å²	200	78 Å²	78	87%	0.87	46%	0.461	S	S	*	.	S	Bend	trans	-92.5	108.8	179.5	-175.5	-175.5	175.8	-173.4	0	109.9
224	A	93	Very high	93.9	Very high	33 Å²	33	73.3 Å²	73.3	27%	0.273	44%	0.438	S	S	.	.			trans	-87.7	146.1	176	0	0	0	0	0	113
225	P	93.9	Very high	93.9	Very high	113 Å²	113	78.4 Å²	78.4	73%	0.734	45%	0.45	S	S	*	.			trans	-70.2	176.9	162	32.9	-34.9	0	0	0	110.4	G227	P225-G227 PolarHBondContact O-N 3.17Å; P225-G227 VanDerWaalsContact O-N 3.15Å
226	V	93.3	Very high	93.7	Very high	59 Å²	59	79.4 Å²	79.4	36%	0.358	47%	0.465	S	S	.	.			trans	-58.4	-29.7	179.9	174.2	0	0	0	0	112.8	R228 P231	V226-R228 HydrophobicContact CG1-CB 4.33Å; V226-R228 PolarHBondContact O-N 3.41Å; V226-P231 HydrophobicContact CG1-CG 4.48Å
227	G	88.9	Confident	93.6	Very high	74 Å²	74	82.6 Å²	82.6	76%	0.763	48%	0.478	S	S	*	.			trans	64.4	9.2	173.8	0	0	0	0	0	115.5	P225	P225-G227 PolarHBondContact O-N 3.17Å; P225-G227 VanDerWaalsContact O-N 3.15Å
228	R	89	Confident	93.6	Very high	142 Å²	142	83.6 Å²	83.6	54%	0.536	49%	0.487	S	S	.	.	S	Bend	trans	-137.2	159.8	-175.9	-63.1	-176.3	179.3	-156.1	0.4	110.8	P216 V226 A230	P216-R228 VanDerWaalsContact CB-CZ 3.43Å; P216-R228 PolarHBondContact O-NE 3.11Å; P216-R228 PolarHBondContact O-NH2 3.05Å; V226-R228 HydrophobicContact CG1-CB 4.33Å; V226-R228 PolarHBondContact O-N 3.41Å; R228-A230 PolarHBondContact O-N 3.15Å; R228-A230 VanDerWaalsContact O-N 3.15Å
229	K	90.3	Very high	93.5	Very high	231 Å²	231	86.3 Å²	86.3	100%	1.004	51%	0.508	S	S	*	.	S	Bend	trans	-54.8	-33.3	179.8	-66.6	-175	178.6	-177.2	0	113.8
230	A	92.1	Very high	93.4	Very high	36 Å²	36	91.7 Å²	91.7	30%	0.298	53%	0.531	S	S	.	.	S	Bend	trans	-144.9	147.8	177.8	0	0	0	0	0	110.8	R228 V232	R228-A230 PolarHBondContact O-N 3.15Å; R228-A230 VanDerWaalsContact O-N 3.15Å; A230-V232 PolarHBondContact O-N 3.06Å
231	P	95.6	Very high	93.2	Very high	48 Å²	48	92.5 Å²	92.5	31%	0.312	54%	0.539	S	S	.	.			trans	-62.9	133.4	169.7	-20.1	32.2	0	0	0	111.1	V226 A239	V226-P231 HydrophobicContact CG1-CG 4.48Å; P231-A239 PolarHBondContact O-N 3.22Å
232	V	96.2	Very high	93.2	Very high	18 Å²	18	89.6 Å²	89.6	11%	0.109	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-116.7	156.9	-178.9	-62.3	0	0	0	0	112.4	H215 P216 H217 A230 G236 Q237	H215-V232 PolarHBondContact CE1-O 3.02Å; P216-V232 HydrophobicContact CB-CG2 3.52Å; P216-V232 HydrophobicContact CG-CG2 3.65Å; H217-V232 PolarHBondContact CE1-N 2.99Å; H217-V232 VanDerWaalsContact CE1-N 3.26Å; H217-V232 PolarHBondContact CE1-O 2.82Å; H217-V232 VanDerWaalsContact CE1-O 3.22Å; H217-V232 WeakPolarHBondContact NE2-CG2 3.28Å; H217-V232 PolarHBondContact NE2-N 3.31Å; A230-V232 PolarHBondContact O-N 3.06Å; V232-G236 WeakPolarHBondContact CG1-O 3.48Å; V232-Q237 WeakPolarHBondContact CA-O 3.36Å
233	S	96.2	Very high	93.1	Very high	24 Å²	24	94.1 Å²	94.1	17%	0.168	52%	0.518	C	S	.	.			trans	-71.9	169	166.6	70.6	0	0	0	0	110.9	W235 G236 Q237	S233-W235 PolarHBondContact O-N 3.36Å; S233-W235 VanDerWaalsContact O-N 3.11Å; S233-G236 PolarHBondContact O-N 3.23Å; S233-Q237 WeakPolarHBondContact CB-O 3.43Å; S233-Q237 PolarHBondContact N-O 3.32Å; S233-Q237 PolarHBondContact OG-N 2.93Å; S233-Q237 PolarHBondContact OG-O 3.47Å; S233-Q237 VanDerWaalsContact OG-O 3.05Å
234	P	96	Very high	93.1	Very high	30 Å²	30	89.6 Å²	89.6	20%	0.195	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.4	177.6	-13.3	20	0	0	0	113.5	R37 G236	R37-P234 VanDerWaalsContact CZ-CG 3.4Å; P234-G236 VanDerWaalsContact C-N 3.28Å
235	W	96.1	Very high	93.1	Very high	195 Å²	195	92.6 Å²	92.6	74%	0.739	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	14	177.3	-50.8	-72.5	0	0	0	112.8	S233 Q237	S233-W235 PolarHBondContact O-N 3.36Å; S233-W235 VanDerWaalsContact O-N 3.11Å; W235-Q237 PolarHBondContact O-N 3.15Å
236	G	93.1	Very high	93.1	Very high	36 Å²	36	92.3 Å²	92.3	37%	0.371	50%	0.504	S	S	.	.	S	Bend	trans	80.6	-11	175.4	0	0	0	0	0	115.7	V232 S233 P234	V232-G236 WeakPolarHBondContact CG1-O 3.48Å; S233-G236 PolarHBondContact O-N 3.23Å; P234-G236 VanDerWaalsContact C-N 3.28Å
237	Q	94.4	Very high	93.1	Very high	91 Å²	91	98.6 Å²	98.6	43%	0.425	53%	0.527	S	S	.	.			trans	-68.6	132.9	177	-172	173.4	17.1	0	0	111.1	V232 S233 W235 A239 Y242	V232-Q237 WeakPolarHBondContact CA-O 3.36Å; S233-Q237 WeakPolarHBondContact CB-O 3.43Å; S233-Q237 PolarHBondContact N-O 3.32Å; S233-Q237 PolarHBondContact OG-N 2.93Å; S233-Q237 PolarHBondContact OG-O 3.47Å; S233-Q237 VanDerWaalsContact OG-O 3.05Å; W235-Q237 PolarHBondContact O-N 3.15Å; Q237-A239 PolarHBondContact O-N 2.8Å; Q237-Y242 HydrophobicContact CG-CD1 4.32Å; Q237-Y242 HydrophobicContact CG-CE1 4.43Å
238	P	95.3	Very high	93.4	Very high	50 Å²	50	104.3 Å²	104.3	33%	0.325	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-57.4	132.8	175.8	-24.8	34.2	0	0	0	112.5	Y242	P238-Y242 HydrophobicContact CB-CG 4.4Å
239	A	93.1	Very high	93.8	Very high	72 Å²	72	98.9 Å²	98.9	60%	0.595	52%	0.516	S	S	*	.			trans	-100.9	-14.8	-173.5	0	0	0	0	0	113.7	P231 Q237	P231-A239 PolarHBondContact O-N 3.22Å; Q237-A239 PolarHBondContact O-N 2.8Å
240	L	91.6	Very high	94	Very high	135 Å²	135	91.9 Å²	91.9	71%	0.707	50%	0.502	S	S	*	.	S	Bend	trans	-108	122.4	-179.2	-154.1	104.8	0	0	0	110.2	Y242	L240-Y242 PolarHBondContact O-N 3.44Å
241	G	89.3	Confident	94.1	Very high	79 Å²	79	92 Å²	92	81%	0.814	50%	0.5	S	S	*	.	S	Bend	trans	71.1	-16.3	173.6	0	0	0	0	0	117	K243	G241-K243 PolarHBondContact O-N 3.43Å
242	Y	91.6	Very high	94	Very high	138 Å²	138	91.5 Å²	91.5	54%	0.541	50%	0.495	S	S	.	.			trans	-68.6	120.9	-178.1	-172.1	-98.7	0	0	0	112.2	Q237 P238 L240 T244	Q237-Y242 HydrophobicContact CG-CD1 4.32Å; Q237-Y242 HydrophobicContact CG-CE1 4.43Å; P238-Y242 HydrophobicContact CB-CG 4.4Å; L240-Y242 PolarHBondContact O-N 3.44Å; Y242-T244 HydrophobicContact CD1-CG2 3.88Å; Y242-T244 HydrophobicContact CE1-CG2 4.31Å; Y242-T244 PolarHBondContact O-N 2.93Å
243	K	92.3	Very high	93.9	Very high	173 Å²	173	98.3 Å²	98.3	75%	0.752	52%	0.523	S	S	*	.			trans	-79.5	115.2	179.5	-66.5	-179.8	-177.9	170.3	0	110.1	G241	G241-K243 PolarHBondContact O-N 3.43Å
244	T	93.5	Very high	93.9	Very high	105 Å²	105	98.9 Å²	98.9	64%	0.644	52%	0.524	S	S	*	.			trans	-96.6	-8	-176	55.5	0	0	0	0	114.8	Y242 N246	Y242-T244 HydrophobicContact CD1-CG2 3.88Å; Y242-T244 HydrophobicContact CE1-CG2 4.31Å; Y242-T244 PolarHBondContact O-N 2.93Å; T244-N246 PolarHBondContact O-N 2.86Å
245	R	92.8	Very high	93.9	Very high	95 Å²	95	98.4 Å²	98.4	36%	0.358	52%	0.52	S	S	.	.	S	Bend	trans	-66.9	133	178.9	-177.8	177.5	178	135.3	0.9	110.4	K247 S251 D252	R245-K247 PolarHBondContact O-N 3.31Å; R245-S251 PolarHBondContact NH2-OG 3.3Å; R245-D252 IonicContact CZ-OD1 2.68Å; R245-D252 IonicContact NE-OD1 2.73Å; R245-D252 PolarHBondContact NE-OD1 2.94Å; R245-D252 IonicContact NH2-OD1 2.84Å; R245-D252 PolarHBondContact NH2-OD1 2.96Å
246	N	95	Very high	93.8	Very high	107 Å²	107	93.4 Å²	93.4	57%	0.572	51%	0.51	S	S	*	.			trans	-62.6	122.5	173.7	-176.4	-6.2	0	0	0	110.7	T244 K248 A249	T244-N246 PolarHBondContact O-N 2.86Å; N246-K248 VanDerWaalsContact C-N 3.25Å; N246-K248 PolarHBondContact O-N 3.44Å; N246-K248 PolarHBondContact OD1-N 3.31Å; N246-A249 WeakPolarHBondContact O-CB 3.43Å; N246-A249 PolarHBondContact O-N 3.34Å
247	K	93.3	Very high	93.8	Very high	192 Å²	192	98.4 Å²	98.4	84%	0.835	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.2	-179.9	-60.7	179.8	-178	178.2	0	113.6	R245	R245-K247 PolarHBondContact O-N 3.31Å
248	K	95.7	Very high	93.7	Very high	193 Å²	193	100.9 Å²	100.9	84%	0.839	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	8.8	-179.3	-61.3	-175.6	178.2	-176.8	0	112.9	N246 A250	N246-K248 VanDerWaalsContact C-N 3.25Å; N246-K248 PolarHBondContact O-N 3.44Å; N246-K248 PolarHBondContact OD1-N 3.31Å; K248-A250 PolarHBondContact O-N 3.09Å
249	A	95.8	Very high	93.6	Very high	29 Å²	29	106 Å²	106	24%	0.24	54%	0.536	C	S	.	.			trans	-64.1	124	-178.8	0	0	0	0	0	110.4	N246 S251 D252	N246-A249 WeakPolarHBondContact O-CB 3.43Å; N246-A249 PolarHBondContact O-N 3.34Å; A249-S251 PolarHBondContact O-N 3.13Å; A249-D252 WeakPolarHBondContact O-CB 2.91Å; A249-D252 PolarHBondContact O-N 3.23Å
250	A	95.4	Very high	92.7	Very high	84 Å²	84	111 Å²	111	69%	0.694	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-58.1	-21.7	-178.9	0	0	0	0	0	113.8	K248 D252 K253	K248-A250 PolarHBondContact O-N 3.09Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.88Å; A250-K253 WeakPolarHBondContact O-CG 3.19Å
251	S	94.6	Very high	91.6	Very high	38 Å²	38	109.9 Å²	109.9	27%	0.266	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-76.8	-8.7	176	58.8	0	0	0	0	114.4	R245 A249 K253 L254	R245-S251 PolarHBondContact NH2-OG 3.3Å; A249-S251 PolarHBondContact O-N 3.13Å; S251-K253 PolarHBondContact O-N 2.89Å; S251-L254 WeakPolarHBondContact O-CB 3.45Å; S251-L254 PolarHBondContact O-N 3.03Å
252	D	93.6	Very high	89.9	Confident	38 Å²	38	119.5 Å²	119.5	20%	0.203	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-61.7	-34.2	-179.6	-86.2	25.7	0	0	0	111.5	R245 A249 A250 L254 I255 R258	R245-D252 IonicContact CZ-OD1 2.68Å; R245-D252 IonicContact NE-OD1 2.73Å; R245-D252 PolarHBondContact NE-OD1 2.94Å; R245-D252 IonicContact NH2-OD1 2.84Å; R245-D252 PolarHBondContact NH2-OD1 2.96Å; A249-D252 WeakPolarHBondContact O-CB 2.91Å; A249-D252 PolarHBondContact O-N 3.23Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.88Å; D252-L254 PolarHBondContact O-N 3.22Å; D252-I255 PolarHBondContact O-N 3.48Å; D252-I255 VanDerWaalsContact O-N 3.15Å; D252-R258 IonicContact OD2-NH2 2.75Å; D252-R258 PolarHBondContact OD2-NH2 3.15Å
253	K	94	Very high	89.9	Confident	161 Å²	161	118.6 Å²	118.6	70%	0.7	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-62.2	-21.2	173.3	75	-173.2	178.8	173.4	0	114.3	M168 A250 S251	M168-K253 WeakPolarHBondContact CE-O 3.49Å; A250-K253 WeakPolarHBondContact O-CG 3.19Å; S251-K253 PolarHBondContact O-N 2.89Å
254	L	95.2	Very high	89.7	Confident	35 Å²	35	115.7 Å²	115.7	18%	0.183	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-89.2	-5.3	-179.2	-58.8	176.6	0	0	0	112.5	Y156 R167 M168 S251 D252	Y156-L254 HydrophobicContact CD1-CD2 4.38Å; Y156-L254 HydrophobicContact CE1-CD2 3.74Å; R167-L254 WeakPolarHBondContact CA-O 3.29Å; R167-L254 WeakPolarHBondContact CG-O 3.45Å; M168-L254 HydrophobicContact CB-CB 4.46Å; M168-L254 HydrophobicContact CB-CD2 4.36Å; M168-L254 HydrophobicContact CE-CD2 4.39Å; M168-L254 PolarHBondContact N-O 3.26Å; S251-L254 WeakPolarHBondContact O-CB 3.45Å; S251-L254 PolarHBondContact O-N 3.03Å; D252-L254 PolarHBondContact O-N 3.22Å
255	I	95.3	Very high	89.5	Confident	21 Å²	21	116.3 Å²	116.3	11%	0.108	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.7	-178.3	-62.1	-179.9	0	0	0	108.6	E165 R167 D252 R258	E165-I255 HydrophobicContact CG-CG2 4.03Å; E165-I255 WeakPolarHBondContact OE1-CD1 3.43Å; R167-I255 HydrophobicContact CG-CG1 4.35Å; D252-I255 PolarHBondContact O-N 3.48Å; D252-I255 VanDerWaalsContact O-N 3.15Å; I255-R258 HydrophobicContact CG2-CG 4.11Å
256	V	94.1	Very high	89.3	Confident	90 Å²	90	117.5 Å²	117.5	55%	0.545	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	-43.6	-179.8	-178.6	0	0	0	0	110.5	L158 V166 M168	L158-V256 HydrophobicContact CD2-CB 4.48Å; L158-V256 HydrophobicContact CD2-CG2 3.58Å; V166-V256 HydrophobicContact CG1-CB 4.23Å; V166-V256 PolarHBondContact O-N 3.03Å; M168-V256 HydrophobicContact CE-CG2 4.38Å; M168-V256 HydrophobicContact CG-CG2 3.96Å; M168-V256 HydrophobicContact SD-CG2 4.42Å
257	R	94.2	Very high	89	Confident	140 Å²	140	118.2 Å²	118.2	53%	0.528	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.9	124.2	178.9	-173.9	-178.3	174.5	171.9	2.9	110	E165 V166	E165-R257 CarbonylContact C-O 3.5Å; E165-R257 WeakPolarHBondContact CA-O 3.42Å; E165-R257 WeakPolarHBondContact CG-O 3.19Å; V166-R257 HydrophobicContact CB-CB 3.9Å; V166-R257 HydrophobicContact CG2-CB 4.05Å; V166-R257 PolarHBondContact N-O 3.09Å; V166-R257 PolarHBondContact O-N 3.26Å
258	R	92.8	Very high	88.7	Confident	143 Å²	143	113.3 Å²	113.3	54%	0.54	54%	0.541	S	S	.	.			trans	-69.5	154.8	174.3	-71.3	-176.5	175	154.2	-2.7	111	D252 I255	D252-R258 IonicContact OD2-NH2 2.75Å; D252-R258 PolarHBondContact OD2-NH2 3.15Å; I255-R258 HydrophobicContact CG2-CG 4.11Å
259	R	91.5	Very high	88.2	Confident	158 Å²	158	107.6 Å²	107.6	60%	0.596	52%	0.52	S	S	*	.			trans	-49.9	143.8	171.8	68.3	178.9	-173	179.6	2.2	111.3	S163 E165 T261	S163-R259 VanDerWaalsContact O-CB 3.28Å; S163-R259 WeakPolarHBondContact O-CB 3.29Å; E165-R259 HydrophobicContact CB-CB 4.39Å; R259-T261 PolarHBondContact O-N 3.03Å; R259-T261 VanDerWaalsContact O-N 3.17Å
260	K	76	Confident	87.6	Confident	177 Å²	177	113.6 Å²	113.6	77%	0.77	54%	0.541	S	S	*	.			trans	-65.2	114.6	166.7	-108.4	-178	173.6	-176.9	0	107.6	K262	K260-K262 PolarHBondContact O-N 3.15Å
261	T	67.9	Low	86.9	Confident	112 Å²	112	116.1 Å²	116.1	69%	0.687	53%	0.529	S	S	*	.			trans	-71.2	120.1	164.2	34.7	0	0	0	0	107.4	R259	R259-T261 PolarHBondContact O-N 3.03Å; R259-T261 VanDerWaalsContact O-N 3.17Å
262	K	54.1	Low	86.2	Confident	280 Å²	280	123.2 Å²	123.2	100%	1.217	55%	0.553	S	S	*	*			trans	-64	0	156.3	-83.9	-172.4	176.1	-178.5	0	109	K260	K260-K262 PolarHBondContact O-N 3.15Å

Retrieved 262 of 262 residues in 255.1 ms (Link to these results)

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