A0A087YIR3_POEFO Loading...

BTB/POZ domain-containing protein KCTD9

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin-protein ligase complex, which mediates the ubiquitination of target proteins, leading to their degradation by the proteasome.

AlphaFold DB , UniProt , Accession A0A087YIR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 389 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.8	Low	87.7	Confident	177 Å²	177	52.9 Å²	52.9	87%	0.872	26%	0.256	S	S	*	.				0	120.6	0	-169.6	-177.1	-142.3	0	0	106.2	A19 Y21	M1-A19 HydrophobicContact CE-CB 3.76Å; M1-A19 HydrophobicContact CG-CB 4.07Å; M1-A19 HydrophobicContact SD-CB 3.83Å; M1-Y21 HydrophobicContact CE-CD1 4.3Å
2	R	87.6	Confident	87.3	Confident	75 Å²	75	54.9 Å²	54.9	28%	0.283	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.6	-176.6	-66.4	172.2	-73.1	-178.3	2.3	109.3	A19 V20 I53 A54 I56 D58	R2-A19 CarbonylContact O-C 3.54Å; R2-A19 WeakPolarHBondContact O-CA 3.34Å; R2-V20 HydrophobicContact CB-CB 4.26Å; R2-V20 PolarHBondContact O-N 3.34Å; R2-I53 PolarHBondContact NH1-O 2.81Å; R2-I53 PolarHBondContact NH2-O 3.27Å; R2-A54 PolarHBondContact NH1-O 3.15Å; R2-I56 WeakPolarHBondContact CD-O 3.48Å; R2-I56 PolarHBondContact NH1-O 3.19Å; R2-D58 VanDerWaalsContact CA-OD1 3.31Å; R2-D58 WeakPolarHBondContact CA-OD1 3.45Å
3	R	90.8	Very high	86.9	Confident	134 Å²	134	63 Å²	63	51%	0.506	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.5	175	-59.9	177.1	-58.7	169.9	9.6	108.4	V17 V18 D58 D59	R3-V17 HydrophobicContact CB-CG1 4.47Å; R3-V18 WeakPolarHBondContact CA-O 3.41Å; R3-D58 PolarHBondContact N-OD1 2.93Å; R3-D59 IonicContact NH2-OD1 2.79Å; R3-D59 WeakPolarHBondContact O-CA 3.48Å; R3-D59 PolarHBondContact O-N 3.31Å
4	V	93.1	Very high	86.6	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.7	177.9	-63.9	0	0	0	0	110.5	L6 V17 V18 V20 I56 D60 L62	V4-L6 HydrophobicContact CG2-CD2 3.86Å; V4-L6 HydrophobicContact CG2-CG 4.33Å; V4-V17 CarbonylContact O-C 3.54Å; V4-V17 WeakPolarHBondContact O-CA 3.21Å; V4-V18 HydrophobicContact CG2-CG2 3.7Å; V4-V18 PolarHBondContact N-O 3.2Å; V4-V18 PolarHBondContact O-N 2.87Å; V4-V20 HydrophobicContact CB-CG2 4.32Å; V4-V20 HydrophobicContact CG1-CG2 3.81Å; V4-V20 HydrophobicContact CG2-CG2 3.58Å; V4-I56 HydrophobicContact CG1-CG2 3.36Å; V4-D60 WeakPolarHBondContact CA-O 3.32Å; V4-D60 WeakPolarHBondContact CB-O 3.18Å; V4-D60 HydrophobicContact CG1-CB 4Å; V4-L62 HydrophobicContact CB-CD1 4.26Å; V4-L62 HydrophobicContact CG1-CD1 4.26Å; V4-L62 HydrophobicContact CG2-CD1 4.21Å
5	T	94.6	Very high	86.7	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118	172.7	-52	0	0	0	0	109.3	F7 V17 D60 L62	T5-F7 HydrophobicContact CG2-CD2 4.19Å; T5-F7 HydrophobicContact CG2-CE2 3.48Å; T5-F7 VanDerWaalsContact CG2-CE2 3.48Å; T5-F7 HydrophobicContact CG2-CZ 3.96Å; T5-V17 HydrophobicContact CG2-CG2 4.5Å; T5-D60 PolarHBondContact N-O 3.48Å; T5-L62 PolarHBondContact O-N 2.87Å
6	L	93.4	Very high	86.9	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	178.4	-56.8	-176.3	0	0	0	110.9	V4 G15 K16 V18 A31 L35 L42 L62 V64	V4-L6 HydrophobicContact CG2-CD2 3.86Å; V4-L6 HydrophobicContact CG2-CG 4.33Å; L6-G15 CarbonylContact O-C 3.58Å; L6-G15 WeakPolarHBondContact O-CA 3.18Å; L6-K16 PolarHBondContact N-O 2.95Å; L6-K16 PolarHBondContact O-N 3.15Å; L6-V18 HydrophobicContact CD1-CG1 4.22Å; L6-V18 HydrophobicContact CD1-CG2 3.57Å; L6-V18 HydrophobicContact CD2-CG2 4.47Å; L6-V18 HydrophobicContact CG-CG2 3.75Å; L6-A31 HydrophobicContact CD1-CB 3.58Å; L6-L35 HydrophobicContact CB-CD1 4.05Å; L6-L42 HydrophobicContact CD2-CD1 4.12Å; L6-L62 CarbonylContact C-O 3.3Å; L6-L62 WeakPolarHBondContact CA-O 3.47Å; L6-L62 HydrophobicContact CD2-CB 3.8Å; L6-L62 HydrophobicContact CD2-CD1 4.15Å; L6-L62 HydrophobicContact CD2-CG 4.42Å; L6-V64 HydrophobicContact CB-CG2 4.14Å; L6-V64 HydrophobicContact CD1-CG2 4.24Å; L6-V64 HydrophobicContact CD2-CG2 4.17Å; L6-V64 HydrophobicContact CG-CG2 4.42Å
7	F	93.3	Very high	87.3	Confident	30 Å²	30	70.1 Å²	70.1	13%	0.132	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155.1	170.2	-69.4	-94.3	0	0	0	110.4	T5 G15 V61 L62 Y63 V64	T5-F7 HydrophobicContact CG2-CD2 4.19Å; T5-F7 HydrophobicContact CG2-CE2 3.48Å; T5-F7 VanDerWaalsContact CG2-CE2 3.48Å; T5-F7 HydrophobicContact CG2-CZ 3.96Å; F7-G15 VanDerWaalsContact CE1-N 3.33Å; F7-V61 HydrophobicContact CD2-CG1 3.73Å; F7-V61 HydrophobicContact CE2-CG1 3.64Å; F7-L62 PolarHBondContact N-O 2.82Å; F7-Y63 HydrophobicContact CB-CD1 3.7Å; F7-Y63 HydrophobicContact CB-CE1 3.79Å; F7-Y63 HydrophobicContact CD2-CE1 4.42Å; F7-Y63 HydrophobicContact CG-CE1 4.22Å; F7-Y63 CarbonylContact O-C 3.3Å; F7-Y63 WeakPolarHBondContact O-CA 3.33Å; F7-V64 PolarHBondContact O-N 2.94Å
8	V	91.8	Very high	87.5	Confident	50 Å²	50	66.7 Å²	66.7	30%	0.303	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.9	164.7	179.7	0	0	0	0	107.6	G10 T11 L35 I37	V8-G10 PolarHBondContact O-N 2.59Å; V8-T11 HydrophobicContact CB-CG2 4.14Å; V8-T11 PolarHBondContact N-OG1 2.97Å; V8-T11 WeakPolarHBondContact O-CB 3.26Å; V8-T11 PolarHBondContact O-N 2.87Å; V8-T11 PolarHBondContact O-OG1 3.27Å; V8-L35 HydrophobicContact CG2-CB 4.21Å; V8-L35 HydrophobicContact CG2-CD1 4.33Å; V8-L35 HydrophobicContact CG2-CD2 4.31Å; V8-I37 HydrophobicContact CG1-CD1 4.5Å; V8-I37 HydrophobicContact CG2-CD1 4.36Å; V8-I37 HydrophobicContact CG2-CG2 4.36Å
9	N	87.9	Confident	87.6	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.102	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130.1	180	-170.8	31	0	0	0	111.4	V64 P69 F70 I71	N9-V64 WeakPolarHBondContact CB-O 3.45Å; N9-V64 PolarHBondContact N-O 3.49Å; N9-P69 PolarHBondContact ND2-O 3.47Å; N9-F70 WeakPolarHBondContact OD1-CA 3.33Å; N9-F70 WeakPolarHBondContact OD1-CD2 3.42Å; N9-I71 PolarHBondContact OD1-N 3.38Å
10	G	82.4	Confident	87.7	Confident	7 Å²	7	61.9 Å²	61.9	7%	0.072	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-8	-173.9	0	0	0	0	0	116.3	V8 I71 P73	V8-G10 PolarHBondContact O-N 2.59Å; G10-I71 WeakPolarHBondContact CA-O 3.1Å; G10-I71 PolarHBondContact N-O 3.2Å; G10-P73 WeakPolarHBondContact O-CA 3.46Å
11	T	84.6	Confident	87.5	Confident	54 Å²	54	65 Å²	65	33%	0.331	33%	0.333	S	S	.	.			trans	-104.9	144.7	-178.4	70.8	0	0	0	0	112.8	V8 Y63	V8-T11 HydrophobicContact CB-CG2 4.14Å; V8-T11 PolarHBondContact N-OG1 2.97Å; V8-T11 WeakPolarHBondContact O-CB 3.26Å; V8-T11 PolarHBondContact O-N 2.87Å; V8-T11 PolarHBondContact O-OG1 3.27Å; T11-Y63 WeakPolarHBondContact O-CE1 3.46Å
12	S	82.2	Confident	88.5	Confident	77 Å²	77	59 Å²	59	54%	0.538	32%	0.316	S	S	.	.			trans	-112.7	4	176.9	55.7	0	0	0	0	113.8
13	K	82.1	Confident	88.7	Confident	160 Å²	160	59 Å²	59	70%	0.696	33%	0.325	S	S	*	.	S	Bend	trans	-130.5	159.1	-176.6	-62.8	-176.4	-177.3	176.2	0	110.6	G15	K13-G15 PolarHBondContact O-N 3.2Å
14	N	83.3	Confident	88.7	Confident	145 Å²	145	54.7 Å²	54.7	78%	0.775	31%	0.312	S	S	*	.	S	Bend	trans	65.3	27	178	-58.1	-32.8	0	0	0	116.2
15	G	88.1	Confident	88.6	Confident	27 Å²	27	58.7 Å²	58.7	28%	0.278	34%	0.34	S	S	.	.			trans	-59.7	149.9	174.6	0	0	0	0	0	113.2	L6 F7 K13	L6-G15 CarbonylContact O-C 3.58Å; L6-G15 WeakPolarHBondContact O-CA 3.18Å; F7-G15 VanDerWaalsContact CE1-N 3.33Å; K13-G15 PolarHBondContact O-N 3.2Å
16	K	90.4	Very high	88.4	Confident	99 Å²	99	60.3 Å²	60.3	43%	0.43	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.6	179.9	-60.1	-63	-177.5	-175	0	110.1	L6 K34 L35	L6-K16 PolarHBondContact N-O 2.95Å; L6-K16 PolarHBondContact O-N 3.15Å; K16-K34 HydrophobicContact CB-CB 4.39Å; K16-K34 HydrophobicContact CG-CB 4.42Å; K16-L35 HydrophobicContact CB-CD2 4.14Å; K16-L35 HydrophobicContact CG-CD2 3.6Å
17	V	92.3	Very high	88.3	Confident	102 Å²	102	60.4 Å²	60.4	62%	0.618	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.1	174.4	-176.6	0	0	0	0	109.3	R3 V4 T5	R3-V17 HydrophobicContact CB-CG1 4.47Å; V4-V17 CarbonylContact O-C 3.54Å; V4-V17 WeakPolarHBondContact O-CA 3.21Å; T5-V17 HydrophobicContact CG2-CG2 4.5Å
18	V	91.6	Very high	88.3	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.055	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.9	178.9	-56	0	0	0	0	110.7	R3 V4 L6 L27 V30 K34	R3-V18 WeakPolarHBondContact CA-O 3.41Å; V4-V18 HydrophobicContact CG2-CG2 3.7Å; V4-V18 PolarHBondContact N-O 3.2Å; V4-V18 PolarHBondContact O-N 2.87Å; L6-V18 HydrophobicContact CD1-CG1 4.22Å; L6-V18 HydrophobicContact CD1-CG2 3.57Å; L6-V18 HydrophobicContact CD2-CG2 4.47Å; L6-V18 HydrophobicContact CG-CG2 3.75Å; V18-L27 HydrophobicContact CG2-CD1 3.97Å; V18-V30 HydrophobicContact CB-CG1 4.19Å; V18-V30 HydrophobicContact CG1-CG1 3.99Å; V18-K34 HydrophobicContact CG1-CG 4.16Å
19	A	89.6	Confident	88.3	Confident	29 Å²	29	61.7 Å²	61.7	24%	0.24	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.2	170.9	0	0	0	0	0	110	M1 R2 Y21	M1-A19 HydrophobicContact CE-CB 3.76Å; M1-A19 HydrophobicContact CG-CB 4.07Å; M1-A19 HydrophobicContact SD-CB 3.83Å; R2-A19 CarbonylContact O-C 3.54Å; R2-A19 WeakPolarHBondContact O-CA 3.34Å; A19-Y21 HydrophobicContact CB-CD1 4.46Å; A19-Y21 WeakPolarHBondContact O-CD1 3.5Å
20	V	89.3	Confident	88.5	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.5	175.4	-175.9	0	0	0	0	109	R2 V4 L27 I53 I56	R2-V20 HydrophobicContact CB-CB 4.26Å; R2-V20 PolarHBondContact O-N 3.34Å; V4-V20 HydrophobicContact CB-CG2 4.32Å; V4-V20 HydrophobicContact CG1-CG2 3.81Å; V4-V20 HydrophobicContact CG2-CG2 3.58Å; V20-L27 HydrophobicContact CG1-CD2 4.29Å; V20-L27 HydrophobicContact CG2-CD1 4.15Å; V20-L27 HydrophobicContact CG2-CD2 4.34Å; V20-I53 HydrophobicContact CG1-CB 4.22Å; V20-I53 HydrophobicContact CG1-CG2 4.41Å; V20-I56 HydrophobicContact CG1-CD1 4.45Å; V20-I56 HydrophobicContact CG2-CG2 4.22Å
21	Y	83.9	Confident	88.9	Confident	128 Å²	128	62.1 Å²	62.1	50%	0.502	36%	0.362	S	S	.	.			trans	-147.5	161.6	175.4	64.1	-90.1	0	0	0	110.2	M1 A19	M1-Y21 HydrophobicContact CE-CD1 4.3Å; A19-Y21 HydrophobicContact CB-CD1 4.46Å; A19-Y21 WeakPolarHBondContact O-CD1 3.5Å
22	G	87.4	Confident	89.3	Confident	50 Å²	50	61.1 Å²	61.1	52%	0.515	36%	0.357	S	S	.	.	S	Bend	trans	75.5	-128.8	176.3	0	0	0	0	0	112.7	I53	G22-I53 WeakPolarHBondContact O-CD1 3.39Å
23	T	91.4	Very high	89.8	Confident	77 Å²	77	62.2 Å²	62.2	47%	0.472	37%	0.365	S	S	.	.			trans	-112.1	172.1	-178.6	64.9	0	0	0	0	111.5	S25 D26 L27	T23-S25 PolarHBondContact O-N 3.25Å; T23-S25 PolarHBondContact OG1-N 3.12Å; T23-D26 PolarHBondContact N-OD2 3.2Å; T23-D26 WeakPolarHBondContact O-CB 3.34Å; T23-D26 PolarHBondContact O-N 3.41Å; T23-D26 VanDerWaalsContact O-N 3.16Å; T23-D26 PolarHBondContact OG1-N 2.92Å; T23-D26 PolarHBondContact OG1-OD2 2.71Å; T23-L27 PolarHBondContact O-N 3.2Å
24	L	89.9	Confident	90.2	Very high	42 Å²	42	60.4 Å²	60.4	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-34.7	172.9	-175.7	64.5	0	0	0	112.1	D26 L27 L28 L42 D51 I53	L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 3.34Å; L24-L28 HydrophobicContact CG-CD1 4.12Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.91Å; L24-L42 HydrophobicContact CD1-CD2 3.92Å; L24-D51 WeakPolarHBondContact CD2-O 3.29Å; L24-I53 HydrophobicContact CB-CG2 3.94Å; L24-I53 HydrophobicContact CD1-CG2 3.91Å
25	S	90.9	Very high	90.4	Very high	86 Å²	86	54.9 Å²	54.9	60%	0.601	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-38.4	177.2	-170.3	0	0	0	0	112	T23 L28 S29	T23-S25 PolarHBondContact O-N 3.25Å; T23-S25 PolarHBondContact OG1-N 3.12Å; S25-L28 PolarHBondContact O-N 3.2Å; S25-S29 WeakPolarHBondContact O-CB 3.26Å; S25-S29 PolarHBondContact O-N 3.02Å
26	D	91.4	Very high	90.4	Very high	67 Å²	67	57 Å²	57	36%	0.358	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.2	-59.9	-52.7	0	0	0	111.1	T23 L24 S29 V30	T23-D26 PolarHBondContact N-OD2 3.2Å; T23-D26 WeakPolarHBondContact O-CB 3.34Å; T23-D26 PolarHBondContact O-N 3.41Å; T23-D26 VanDerWaalsContact O-N 3.16Å; T23-D26 PolarHBondContact OG1-N 2.92Å; T23-D26 PolarHBondContact OG1-OD2 2.71Å; L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 3.28Å; D26-S29 PolarHBondContact O-N 3.42Å; D26-V30 WeakPolarHBondContact O-CG2 3.32Å; D26-V30 PolarHBondContact O-N 3.46Å
27	L	91.8	Very high	90.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-42.5	176.7	-177.4	61.2	0	0	0	112.2	V18 V20 T23 L24 V30 A31 L42 I53 I56	V18-L27 HydrophobicContact CG2-CD1 3.97Å; V20-L27 HydrophobicContact CG1-CD2 4.29Å; V20-L27 HydrophobicContact CG2-CD1 4.15Å; V20-L27 HydrophobicContact CG2-CD2 4.34Å; T23-L27 PolarHBondContact O-N 3.2Å; L24-L27 PolarHBondContact O-N 3.34Å; L27-V30 PolarHBondContact O-N 3.39Å; L27-A31 VanDerWaalsContact O-CB 3.32Å; L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 3.19Å; L27-L42 HydrophobicContact CD2-CD2 3.76Å; L27-I53 HydrophobicContact CD2-CG2 4.25Å; L27-I56 HydrophobicContact CD2-CD1 3.6Å
28	L	91.8	Very high	90.3	Very high	26 Å²	26	56.7 Å²	56.7	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-35.5	176.6	-71	171.8	0	0	0	112.2	L24 S25 A31 S32 A39 L42	L24-L28 HydrophobicContact CG-CD1 4.12Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.91Å; S25-L28 PolarHBondContact O-N 3.2Å; L28-A31 PolarHBondContact O-N 2.93Å; L28-S32 WeakPolarHBondContact O-CB 3.35Å; L28-S32 PolarHBondContact O-N 3.36Å; L28-S32 PolarHBondContact O-OG 2.84Å; L28-A39 HydrophobicContact CB-CB 4.43Å; L28-A39 HydrophobicContact CD2-CB 4.01Å; L28-A39 WeakPolarHBondContact O-CB 3.35Å; L28-L42 HydrophobicContact CD2-CB 4.45Å
29	S	92.6	Very high	90.3	Very high	81 Å²	81	56.9 Å²	56.9	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-46	173.4	-178.4	0	0	0	0	111.6	S25 D26 A31 S32 S33	S25-S29 WeakPolarHBondContact O-CB 3.26Å; S25-S29 PolarHBondContact O-N 3.02Å; D26-S29 PolarHBondContact O-N 3.42Å; S29-A31 PolarHBondContact O-N 3.15Å; S29-S32 PolarHBondContact O-N 2.9Å; S29-S33 PolarHBondContact O-N 3.1Å
30	V	92.4	Very high	90.4	Very high	33 Å²	33	58.3 Å²	58.3	20%	0.2	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-42.8	174.7	173.4	0	0	0	0	111.1	V18 D26 L27 S32 S33 K34	V18-V30 HydrophobicContact CB-CG1 4.19Å; V18-V30 HydrophobicContact CG1-CG1 3.99Å; D26-V30 WeakPolarHBondContact O-CG2 3.32Å; D26-V30 PolarHBondContact O-N 3.46Å; L27-V30 PolarHBondContact O-N 3.39Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 3.18Å; V30-S33 PolarHBondContact O-N 3.21Å; V30-K34 HydrophobicContact CG1-CG 4.16Å; V30-K34 WeakPolarHBondContact O-CB 3.45Å; V30-K34 VanDerWaalsContact O-CG 3.3Å; V30-K34 WeakPolarHBondContact O-CG 2.83Å; V30-K34 PolarHBondContact O-N 2.9Å
31	A	90.9	Very high	90.5	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-44.6	176	0	0	0	0	0	111.5	L6 L27 L28 S29 S33 K34 L35 A39 V64	L6-A31 HydrophobicContact CD1-CB 3.58Å; L27-A31 VanDerWaalsContact O-CB 3.32Å; L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 3.19Å; L28-A31 PolarHBondContact O-N 2.93Å; S29-A31 PolarHBondContact O-N 3.15Å; A31-S33 PolarHBondContact O-N 3.06Å; A31-K34 PolarHBondContact O-N 3.16Å; A31-L35 VanDerWaalsContact O-CB 3.3Å; A31-L35 WeakPolarHBondContact O-CB 3.37Å; A31-L35 PolarHBondContact O-N 3.21Å; A31-A39 HydrophobicContact CB-CB 4.05Å; A31-V64 HydrophobicContact CB-CG1 4.14Å; A31-V64 HydrophobicContact CB-CG2 4.18Å
32	S	92.9	Very high	90.9	Very high	33 Å²	33	53.4 Å²	53.4	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-46.3	177.8	-60.1	0	0	0	0	111.7	L28 S29 V30 G36 I37 A39	L28-S32 WeakPolarHBondContact O-CB 3.35Å; L28-S32 PolarHBondContact O-N 3.36Å; L28-S32 PolarHBondContact O-OG 2.84Å; S29-S32 PolarHBondContact O-N 2.9Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 3.18Å; S32-G36 WeakPolarHBondContact O-CA 3.12Å; S32-G36 PolarHBondContact O-N 3.33Å; S32-I37 WeakPolarHBondContact CA-O 3.28Å; S32-I37 WeakPolarHBondContact CB-O 3.26Å; S32-I37 PolarHBondContact O-N 2.87Å; S32-I37 PolarHBondContact OG-O 2.95Å; S32-A39 VanDerWaalsContact OG-CB 3.23Å; S32-A39 WeakPolarHBondContact OG-CB 3.3Å; S32-A39 PolarHBondContact OG-N 2.85Å
33	S	92.1	Very high	91.2	Very high	100 Å²	100	52.1 Å²	52.1	70%	0.699	32%	0.315	S	S	*	.	H	α-helix	trans	-65.4	-40.6	178.3	-177.5	0	0	0	0	113	S29 V30 A31	S29-S33 PolarHBondContact O-N 3.1Å; V30-S33 PolarHBondContact O-N 3.21Å; A31-S33 PolarHBondContact O-N 3.06Å
34	K	89.6	Confident	91.2	Very high	122 Å²	122	51.4 Å²	51.4	53%	0.53	31%	0.308	S	S	.	.	H	α-helix	trans	-82.2	-32.4	-173.9	-71.3	-70.2	-176.1	-177.9	0	114	K16 V18 V30 A31	K16-K34 HydrophobicContact CB-CB 4.39Å; K16-K34 HydrophobicContact CG-CB 4.42Å; V18-K34 HydrophobicContact CG1-CG 4.16Å; V30-K34 HydrophobicContact CG1-CG 4.16Å; V30-K34 WeakPolarHBondContact O-CB 3.45Å; V30-K34 VanDerWaalsContact O-CG 3.3Å; V30-K34 WeakPolarHBondContact O-CG 2.83Å; V30-K34 PolarHBondContact O-N 2.9Å; A31-K34 PolarHBondContact O-N 3.16Å
35	L	88.4	Confident	90.9	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-98.1	-13.6	-179.2	-63.8	175.7	0	0	0	112.8	L6 V8 K16 A31 I37 V64	L6-L35 HydrophobicContact CB-CD1 4.05Å; V8-L35 HydrophobicContact CG2-CB 4.21Å; V8-L35 HydrophobicContact CG2-CD1 4.33Å; V8-L35 HydrophobicContact CG2-CD2 4.31Å; K16-L35 HydrophobicContact CB-CD2 4.14Å; K16-L35 HydrophobicContact CG-CD2 3.6Å; A31-L35 VanDerWaalsContact O-CB 3.3Å; A31-L35 WeakPolarHBondContact O-CB 3.37Å; A31-L35 PolarHBondContact O-N 3.21Å; L35-I37 VanDerWaalsContact C-N 3.32Å; L35-I37 HydrophobicContact CB-CD1 4.4Å; L35-I37 HydrophobicContact CB-CG1 3.94Å; L35-I37 HydrophobicContact CD1-CD1 4.39Å; L35-V64 HydrophobicContact CD1-CB 3.97Å; L35-V64 HydrophobicContact CD1-CG2 3.92Å
36	G	88.3	Confident	90.6	Very high	70 Å²	70	57 Å²	57	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	24	178.9	0	0	0	0	0	113.9	S32	S32-G36 WeakPolarHBondContact O-CA 3.12Å; S32-G36 PolarHBondContact O-N 3.33Å
37	I	89.5	Confident	90.2	Very high	31 Å²	31	55 Å²	55	16%	0.159	33%	0.328	C	S	.	.	S	Bend	trans	-119.6	163.3	-179.8	61.9	167.2	0	0	0	110.4	V8 S32 L35 A39 V64 E66	V8-I37 HydrophobicContact CG1-CD1 4.5Å; V8-I37 HydrophobicContact CG2-CD1 4.36Å; V8-I37 HydrophobicContact CG2-CG2 4.36Å; S32-I37 WeakPolarHBondContact CA-O 3.28Å; S32-I37 WeakPolarHBondContact CB-O 3.26Å; S32-I37 PolarHBondContact O-N 2.87Å; S32-I37 PolarHBondContact OG-O 2.95Å; L35-I37 VanDerWaalsContact C-N 3.32Å; L35-I37 HydrophobicContact CB-CD1 4.4Å; L35-I37 HydrophobicContact CB-CG1 3.94Å; L35-I37 HydrophobicContact CD1-CD1 4.39Å; I37-A39 PolarHBondContact O-N 3.24Å; I37-V64 HydrophobicContact CD1-CB 4.11Å; I37-V64 HydrophobicContact CD1-CG1 3.85Å; I37-E66 WeakPolarHBondContact CA-OE1 3.43Å; I37-E66 HydrophobicContact CB-CG 4.11Å; I37-E66 VanDerWaalsContact CB-OE1 3.25Å; I37-E66 WeakPolarHBondContact CB-OE1 3.32Å
38	K	90.9	Very high	90.1	Very high	165 Å²	165	56.2 Å²	56.2	72%	0.717	34%	0.342	S	S	*	.			trans	-86.3	77.7	172.2	-167.9	-177.7	178.1	-175.9	0	111	S40 E66	K38-S40 PolarHBondContact O-N 2.84Å; K38-E66 HydrophobicContact CB-CG 4.25Å; K38-E66 VanDerWaalsContact N-CD 3.31Å; K38-E66 PolarHBondContact N-OE1 3.41Å; K38-E66 WeakPolarHBondContact O-CA 3.23Å; K38-E66 WeakPolarHBondContact O-CG 3.26Å
39	A	90.8	Very high	90.1	Very high	13 Å²	13	59.8 Å²	59.8	11%	0.107	36%	0.361	C	S	.	.			trans	-61.4	122.9	-174.6	0	0	0	0	0	112.6	L28 A31 S32 I37 V64	L28-A39 HydrophobicContact CB-CB 4.43Å; L28-A39 HydrophobicContact CD2-CB 4.01Å; L28-A39 WeakPolarHBondContact O-CB 3.35Å; A31-A39 HydrophobicContact CB-CB 4.05Å; S32-A39 VanDerWaalsContact OG-CB 3.23Å; S32-A39 WeakPolarHBondContact OG-CB 3.3Å; S32-A39 PolarHBondContact OG-N 2.85Å; I37-A39 PolarHBondContact O-N 3.24Å; A39-V64 HydrophobicContact CB-CG1 3.27Å
40	S	92.1	Very high	90	Very high	58 Å²	58	56.6 Å²	56.6	41%	0.406	34%	0.337	S	S	.	.			trans	-127.9	-25.9	175.5	64.3	0	0	0	0	113.7	K38 S65 E66 G67	K38-S40 PolarHBondContact O-N 2.84Å; S40-S65 PolarHBondContact N-O 3.31Å; S40-S65 PolarHBondContact OG-O 2.92Å; S40-E66 PolarHBondContact OG-O 2.56Å; S40-G67 VanDerWaalsContact OG-CA 3.28Å; S40-G67 WeakPolarHBondContact OG-CA 3.36Å; S40-G67 PolarHBondContact OG-N 3.47Å
41	C	92.2	Very high	89.9	Confident	30 Å²	30	60.8 Å²	60.8	20%	0.203	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.4	179.5	-59.5	0	0	0	0	111.2	Y43 L49 V64 S65	C41-Y43 HydrophobicContact CB-CE2 3.68Å; C41-L49 HydrophobicContact CB-CD1 3.97Å; C41-V64 WeakPolarHBondContact O-CA 3.44Å; C41-S65 WeakPolarHBondContact CB-OG 3.16Å; C41-S65 PolarHBondContact N-O 3.44Å; C41-S65 PolarHBondContact O-N 2.76Å
42	L	92.8	Very high	89.8	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.1	-179	-173.6	68.7	0	0	0	109.2	L6 L24 L27 L28 I50 I56 L62 Y63 V64	L6-L42 HydrophobicContact CD2-CD1 4.12Å; L24-L42 HydrophobicContact CD1-CD2 3.92Å; L27-L42 HydrophobicContact CD2-CD2 3.76Å; L28-L42 HydrophobicContact CD2-CB 4.45Å; L42-I50 HydrophobicContact CB-CB 4.41Å; L42-I50 HydrophobicContact CD2-CB 4.18Å; L42-I50 HydrophobicContact CD2-CD1 4.46Å; L42-I50 HydrophobicContact CD2-CG2 4.2Å; L42-I50 HydrophobicContact CG-CB 4.28Å; L42-I50 HydrophobicContact CG-CD1 4.4Å; L42-I50 PolarHBondContact O-N 3.26Å; L42-I56 HydrophobicContact CD2-CD1 3.93Å; L42-L62 HydrophobicContact CD1-CB 3.83Å; L42-L62 HydrophobicContact CD1-CD1 4.11Å; L42-L62 HydrophobicContact CD2-CD1 3.99Å; L42-L62 HydrophobicContact CG-CB 4.46Å; L42-L62 HydrophobicContact CG-CD1 4.25Å; L42-Y63 CarbonylContact C-O 3.33Å; L42-Y63 WeakPolarHBondContact CA-O 3.4Å; L42-V64 HydrophobicContact CD1-CG2 3.74Å
43	Y	92.9	Very high	89.5	Confident	24 Å²	24	64 Å²	64	9%	0.094	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.8	-177.2	-58.6	-84.9	0	0	0	111.7	C41 G48 L49 L62 Y63 D68 F70	C41-Y43 HydrophobicContact CB-CE2 3.68Å; Y43-G48 CarbonylContact C-O 3.54Å; Y43-G48 VanDerWaalsContact CA-O 3.26Å; Y43-G48 WeakPolarHBondContact CA-O 3.35Å; Y43-L49 HydrophobicContact CD1-CB 4.17Å; Y43-L49 HydrophobicContact CD1-CD1 4.06Å; Y43-L49 HydrophobicContact CE1-CB 4.01Å; Y43-L49 HydrophobicContact CE1-CD1 3.57Å; Y43-L49 HydrophobicContact CE1-CG 4.4Å; Y43-L49 HydrophobicContact CE2-CD1 4.49Å; Y43-L62 CarbonylContact O-C 3.54Å; Y43-L62 VanDerWaalsContact O-CA 3.29Å; Y43-L62 WeakPolarHBondContact O-CA 3.03Å; Y43-Y63 PolarHBondContact N-O 3.09Å; Y43-Y63 PolarHBondContact O-N 3Å; Y43-D68 PolarHBondContact OH-O 3.06Å; Y43-F70 HydrophobicContact CD1-CB 3.83Å; Y43-F70 HydrophobicContact CD2-CB 4.25Å; Y43-F70 HydrophobicContact CD2-CD2 4.25Å; Y43-F70 HydrophobicContact CE1-CB 4.09Å; Y43-F70 HydrophobicContact CE2-CB 4.48Å; Y43-F70 HydrophobicContact CG-CB 3.92Å; Y43-F70 AromaticContact CG-CD2 3.9Å; Y43-F70 HydrophobicContact CG-CD2 3.9Å; Y43-F70 HydrophobicContact CG-CG 4.31Å
44	N	90.3	Very high	89.3	Confident	61 Å²	61	62.3 Å²	62.3	33%	0.326	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	170.6	165.1	70	30.2	0	0	0	111.4	K46 G47 G48 I50	N44-K46 PolarHBondContact O-N 3.28Å; N44-K46 WeakPolarHBondContact OD1-CA 3.31Å; N44-K46 PolarHBondContact OD1-N 2.69Å; N44-G47 PolarHBondContact O-N 3.14Å; N44-G47 PolarHBondContact OD1-N 3.26Å; N44-G48 PolarHBondContact N-O 2.88Å; N44-G48 PolarHBondContact OD1-N 3.12Å; N44-I50 HydrophobicContact CB-CD1 4.27Å
45	G	84	Confident	89.2	Confident	46 Å²	46	61.9 Å²	61.9	47%	0.474	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	2.3	180	0	0	0	0	0	117
46	K	85.3	Confident	89.2	Confident	200 Å²	200	60.6 Å²	60.6	87%	0.87	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	8.1	171.8	-62.7	-175.8	178.4	-178.1	0	112.4	N44	N44-K46 PolarHBondContact O-N 3.28Å; N44-K46 WeakPolarHBondContact OD1-CA 3.31Å; N44-K46 PolarHBondContact OD1-N 2.69Å
47	G	83.6	Confident	89.3	Confident	25 Å²	25	66.2 Å²	66.2	26%	0.258	36%	0.36	S	S	.	.	S	Bend	trans	80.5	12.6	-179.6	0	0	0	0	0	115.9	N44	N44-G47 PolarHBondContact O-N 3.14Å; N44-G47 PolarHBondContact OD1-N 3.26Å
48	G	89.1	Confident	89.3	Confident	29 Å²	29	68.7 Å²	68.7	30%	0.299	37%	0.374	S	S	.	.			trans	-74.1	125.5	171.4	0	0	0	0	0	111	Y43 N44	Y43-G48 CarbonylContact C-O 3.54Å; Y43-G48 VanDerWaalsContact CA-O 3.26Å; Y43-G48 WeakPolarHBondContact CA-O 3.35Å; N44-G48 PolarHBondContact N-O 2.88Å; N44-G48 PolarHBondContact OD1-N 3.12Å
49	L	91.5	Very high	89.2	Confident	102 Å²	102	65.7 Å²	65.7	53%	0.534	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-67.2	135.2	174.1	-174.3	73	0	0	0	109.9	C41 Y43	C41-L49 HydrophobicContact CB-CD1 3.97Å; Y43-L49 HydrophobicContact CD1-CB 4.17Å; Y43-L49 HydrophobicContact CD1-CD1 4.06Å; Y43-L49 HydrophobicContact CE1-CB 4.01Å; Y43-L49 HydrophobicContact CE1-CD1 3.57Å; Y43-L49 HydrophobicContact CE1-CG 4.4Å; Y43-L49 HydrophobicContact CE2-CD1 4.49Å
50	I	90.2	Very high	89.2	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.072	37%	0.373	C	S	.	.			trans	-106.6	111.2	177	-57	178.8	0	0	0	108	L42 N44 D52 I56 L62	L42-I50 HydrophobicContact CB-CB 4.41Å; L42-I50 HydrophobicContact CD2-CB 4.18Å; L42-I50 HydrophobicContact CD2-CD1 4.46Å; L42-I50 HydrophobicContact CD2-CG2 4.2Å; L42-I50 HydrophobicContact CG-CB 4.28Å; L42-I50 HydrophobicContact CG-CD1 4.4Å; L42-I50 PolarHBondContact O-N 3.26Å; N44-I50 HydrophobicContact CB-CD1 4.27Å; I50-D52 WeakPolarHBondContact CG2-O 3.25Å; I50-I56 HydrophobicContact CD1-CG1 4.35Å; I50-I56 HydrophobicContact CG2-CD1 4.23Å; I50-I56 HydrophobicContact CG2-CG1 3.97Å; I50-L62 HydrophobicContact CD1-CD1 4.29Å; I50-L62 HydrophobicContact CD1-CD2 3.49Å; I50-L62 VanDerWaalsContact CD1-CD2 3.49Å; I50-L62 HydrophobicContact CD1-CG 4.47Å
51	D	90.1	Very high	89.2	Confident	121 Å²	121	67.8 Å²	67.8	65%	0.647	37%	0.372	S	S	*	.			trans	-103.6	-14.7	178.6	58.6	-7.5	0	0	0	113.2	L24	L24-D51 WeakPolarHBondContact CD2-O 3.29Å
52	D	88.7	Confident	89.3	Confident	80 Å²	80	66.4 Å²	66.4	43%	0.428	36%	0.363	S	S	.	.			trans	-130.1	126.8	174.5	-169.8	-13.3	0	0	0	112	I50 A54 L55	I50-D52 WeakPolarHBondContact CG2-O 3.25Å; D52-A54 PolarHBondContact O-N 3.19Å; D52-A54 WeakPolarHBondContact OD1-CB 3.36Å; D52-A54 PolarHBondContact OD1-N 2.79Å; D52-L55 HydrophobicContact CB-CD1 4.35Å; D52-L55 HydrophobicContact CB-CG 4.34Å; D52-L55 WeakPolarHBondContact O-CB 3.25Å; D52-L55 PolarHBondContact O-N 3.2Å; D52-L55 VanDerWaalsContact O-N 3.12Å
53	I	88.2	Confident	89.3	Confident	21 Å²	21	67.7 Å²	67.7	11%	0.108	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.5	-18	175.5	60.5	157.4	0	0	0	113.1	R2 V20 G22 L24 L27 L55 I56	R2-I53 PolarHBondContact NH1-O 2.81Å; R2-I53 PolarHBondContact NH2-O 3.27Å; V20-I53 HydrophobicContact CG1-CB 4.22Å; V20-I53 HydrophobicContact CG1-CG2 4.41Å; G22-I53 WeakPolarHBondContact O-CD1 3.39Å; L24-I53 HydrophobicContact CB-CG2 3.94Å; L24-I53 HydrophobicContact CD1-CG2 3.91Å; L27-I53 HydrophobicContact CD2-CG2 4.25Å; I53-L55 PolarHBondContact O-N 3.45Å; I53-I56 HydrophobicContact CB-CD1 4.25Å; I53-I56 HydrophobicContact CG2-CD1 4.2Å; I53-I56 WeakPolarHBondContact O-CB 2.98Å; I53-I56 PolarHBondContact O-N 2.8Å
54	A	87.4	Confident	89.3	Confident	65 Å²	65	66.5 Å²	66.5	54%	0.537	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.8	173.9	0	0	0	0	0	112	R2 D52 I56	R2-A54 PolarHBondContact NH1-O 3.15Å; D52-A54 PolarHBondContact O-N 3.19Å; D52-A54 WeakPolarHBondContact OD1-CB 3.36Å; D52-A54 PolarHBondContact OD1-N 2.79Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 2.86Å
55	L	87.9	Confident	89.4	Confident	112 Å²	112	63.9 Å²	63.9	59%	0.586	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-77.6	-13.9	-179.3	-57.9	175.2	0	0	0	113.5	D52 I53	D52-L55 HydrophobicContact CB-CD1 4.35Å; D52-L55 HydrophobicContact CB-CG 4.34Å; D52-L55 WeakPolarHBondContact O-CB 3.25Å; D52-L55 PolarHBondContact O-N 3.2Å; D52-L55 VanDerWaalsContact O-N 3.12Å; I53-L55 PolarHBondContact O-N 3.45Å
56	I	88.4	Confident	89.8	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.015	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-81.4	129.2	-177.4	-58.5	174.8	0	0	0	110.2	R2 V4 V20 L27 L42 I50 I53 A54 D60 L62	R2-I56 WeakPolarHBondContact CD-O 3.48Å; R2-I56 PolarHBondContact NH1-O 3.19Å; V4-I56 HydrophobicContact CG1-CG2 3.36Å; V20-I56 HydrophobicContact CG1-CD1 4.45Å; V20-I56 HydrophobicContact CG2-CG2 4.22Å; L27-I56 HydrophobicContact CD2-CD1 3.6Å; L42-I56 HydrophobicContact CD2-CD1 3.93Å; I50-I56 HydrophobicContact CD1-CG1 4.35Å; I50-I56 HydrophobicContact CG2-CD1 4.23Å; I50-I56 HydrophobicContact CG2-CG1 3.97Å; I53-I56 HydrophobicContact CB-CD1 4.25Å; I53-I56 HydrophobicContact CG2-CD1 4.2Å; I53-I56 WeakPolarHBondContact O-CB 2.98Å; I53-I56 PolarHBondContact O-N 2.8Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 2.86Å; I56-D60 HydrophobicContact CG2-CB 4.4Å; I56-L62 HydrophobicContact CD1-CD1 3.95Å; I56-L62 HydrophobicContact CG1-CD1 4.2Å; I56-L62 HydrophobicContact CG2-CD1 4.08Å
57	R	89.4	Confident	89.6	Confident	188 Å²	188	59.4 Å²	59.4	71%	0.709	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-97.6	167.6	175.3	-61.4	-179.4	179.7	-174.2	-0.2	111.1	D60	R57-D60 PolarHBondContact N-OD2 3.12Å
58	D	90	Very high	89.7	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.444	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	139.3	173.2	-156.3	40	0	0	0	109.8	R2 R3 D60	R2-D58 VanDerWaalsContact CA-OD1 3.31Å; R2-D58 WeakPolarHBondContact CA-OD1 3.45Å; R3-D58 PolarHBondContact N-OD1 2.93Å; D58-D60 VanDerWaalsContact C-N 3.26Å; D58-D60 PolarHBondContact O-N 3.33Å
59	D	88.1	Confident	89.6	Confident	103 Å²	103	66.2 Å²	66.2	55%	0.551	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	18.1	-175.8	-60.2	-36.7	0	0	0	116	R3	R3-D59 IonicContact NH2-OD1 2.79Å; R3-D59 WeakPolarHBondContact O-CA 3.48Å; R3-D59 PolarHBondContact O-N 3.31Å
60	D	91.8	Very high	89.4	Confident	49 Å²	49	63.5 Å²	63.5	26%	0.262	35%	0.345	S	S	.	.			trans	-62.1	144.4	173.5	-87.5	-11.8	0	0	0	112.5	V4 T5 I56 R57 D58 L62	V4-D60 WeakPolarHBondContact CA-O 3.32Å; V4-D60 WeakPolarHBondContact CB-O 3.18Å; V4-D60 HydrophobicContact CG1-CB 4Å; T5-D60 PolarHBondContact N-O 3.48Å; I56-D60 HydrophobicContact CG2-CB 4.4Å; R57-D60 PolarHBondContact N-OD2 3.12Å; D58-D60 VanDerWaalsContact C-N 3.26Å; D58-D60 PolarHBondContact O-N 3.33Å; D60-L62 HydrophobicContact CB-CD2 4.01Å; D60-L62 HydrophobicContact CB-CG 4.28Å
61	V	91.9	Very high	89.1	Confident	65 Å²	65	66.4 Å²	66.4	39%	0.394	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.9	172.1	177.4	0	0	0	0	109.2	F7 Y63	F7-V61 HydrophobicContact CD2-CG1 3.73Å; F7-V61 HydrophobicContact CE2-CG1 3.64Å; V61-Y63 HydrophobicContact CG1-CE2 4.04Å
62	L	93.4	Very high	88.5	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.7	-174	-49.6	179.9	0	0	0	111.5	V4 T5 L6 F7 L42 Y43 I50 I56 D60	V4-L62 HydrophobicContact CB-CD1 4.26Å; V4-L62 HydrophobicContact CG1-CD1 4.26Å; V4-L62 HydrophobicContact CG2-CD1 4.21Å; T5-L62 PolarHBondContact O-N 2.87Å; L6-L62 CarbonylContact C-O 3.3Å; L6-L62 WeakPolarHBondContact CA-O 3.47Å; L6-L62 HydrophobicContact CD2-CB 3.8Å; L6-L62 HydrophobicContact CD2-CD1 4.15Å; L6-L62 HydrophobicContact CD2-CG 4.42Å; F7-L62 PolarHBondContact N-O 2.82Å; L42-L62 HydrophobicContact CD1-CB 3.83Å; L42-L62 HydrophobicContact CD1-CD1 4.11Å; L42-L62 HydrophobicContact CD2-CD1 3.99Å; L42-L62 HydrophobicContact CG-CB 4.46Å; L42-L62 HydrophobicContact CG-CD1 4.25Å; Y43-L62 CarbonylContact O-C 3.54Å; Y43-L62 VanDerWaalsContact O-CA 3.29Å; Y43-L62 WeakPolarHBondContact O-CA 3.03Å; I50-L62 HydrophobicContact CD1-CD1 4.29Å; I50-L62 HydrophobicContact CD1-CD2 3.49Å; I50-L62 VanDerWaalsContact CD1-CD2 3.49Å; I50-L62 HydrophobicContact CD1-CG 4.47Å; I56-L62 HydrophobicContact CD1-CD1 3.95Å; I56-L62 HydrophobicContact CG1-CD1 4.2Å; I56-L62 HydrophobicContact CG2-CD1 4.08Å; D60-L62 HydrophobicContact CB-CD2 4.01Å; D60-L62 HydrophobicContact CB-CG 4.28Å
63	Y	93.6	Very high	87.5	Confident	29 Å²	29	60.7 Å²	60.7	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.1	-176.3	-62	-89.7	0	0	0	110.4	F7 T11 L42 Y43 V61 F70 P73	F7-Y63 HydrophobicContact CB-CD1 3.7Å; F7-Y63 HydrophobicContact CB-CE1 3.79Å; F7-Y63 HydrophobicContact CD2-CE1 4.42Å; F7-Y63 HydrophobicContact CG-CE1 4.22Å; F7-Y63 CarbonylContact O-C 3.3Å; F7-Y63 WeakPolarHBondContact O-CA 3.33Å; T11-Y63 WeakPolarHBondContact O-CE1 3.46Å; L42-Y63 CarbonylContact C-O 3.33Å; L42-Y63 WeakPolarHBondContact CA-O 3.4Å; Y43-Y63 PolarHBondContact N-O 3.09Å; Y43-Y63 PolarHBondContact O-N 3Å; V61-Y63 HydrophobicContact CG1-CE2 4.04Å; Y63-F70 HydrophobicContact CD1-CE2 4.43Å; Y63-F70 AromaticContact CD2-CE2 3.65Å; Y63-F70 HydrophobicContact CD2-CE2 3.65Å; Y63-F70 HydrophobicContact CD2-CZ 4.33Å; Y63-F70 HydrophobicContact CE2-CE2 4.31Å; Y63-F70 AromaticContact CG-CE2 3.72Å; Y63-F70 HydrophobicContact CG-CE2 3.72Å; Y63-P73 HydrophobicContact CD1-CG 3.97Å; Y63-P73 HydrophobicContact CE1-CB 4.47Å; Y63-P73 HydrophobicContact CE1-CG 3.21Å
64	V	93	Very high	86.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	-172.4	-171.9	0	0	0	0	109.7	L6 F7 N9 A31 L35 I37 A39 C41 L42	L6-V64 HydrophobicContact CB-CG2 4.14Å; L6-V64 HydrophobicContact CD1-CG2 4.24Å; L6-V64 HydrophobicContact CD2-CG2 4.17Å; L6-V64 HydrophobicContact CG-CG2 4.42Å; F7-V64 PolarHBondContact O-N 2.94Å; N9-V64 WeakPolarHBondContact CB-O 3.45Å; N9-V64 PolarHBondContact N-O 3.49Å; A31-V64 HydrophobicContact CB-CG1 4.14Å; A31-V64 HydrophobicContact CB-CG2 4.18Å; L35-V64 HydrophobicContact CD1-CB 3.97Å; L35-V64 HydrophobicContact CD1-CG2 3.92Å; I37-V64 HydrophobicContact CD1-CB 4.11Å; I37-V64 HydrophobicContact CD1-CG1 3.85Å; A39-V64 HydrophobicContact CB-CG1 3.27Å; C41-V64 WeakPolarHBondContact O-CA 3.44Å; L42-V64 HydrophobicContact CD1-CG2 3.74Å
65	S	92.4	Very high	85	Confident	5 Å²	5	68.2 Å²	68.2	4%	0.035	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	163.6	177.2	82.2	0	0	0	0	112.7	S40 C41 G67 D68	S40-S65 PolarHBondContact N-O 3.31Å; S40-S65 PolarHBondContact OG-O 2.92Å; C41-S65 WeakPolarHBondContact CB-OG 3.16Å; C41-S65 PolarHBondContact N-O 3.44Å; C41-S65 PolarHBondContact O-N 2.76Å; S65-G67 PolarHBondContact O-N 2.93Å; S65-G67 PolarHBondContact OG-N 3.5Å; S65-D68 WeakPolarHBondContact CB-O 3.42Å; S65-D68 PolarHBondContact OG-N 3.25Å; S65-D68 PolarHBondContact OG-O 3.39Å
66	E	90.9	Very high	82.9	Confident	107 Å²	107	69.9 Å²	69.9	50%	0.5	37%	0.366	S	S	.	.	S	Bend	trans	-87.9	20.6	173	-52.6	-162.3	-172.7	0	0	113.3	I37 K38 S40	I37-E66 WeakPolarHBondContact CA-OE1 3.43Å; I37-E66 HydrophobicContact CB-CG 4.11Å; I37-E66 VanDerWaalsContact CB-OE1 3.25Å; I37-E66 WeakPolarHBondContact CB-OE1 3.32Å; K38-E66 HydrophobicContact CB-CG 4.25Å; K38-E66 VanDerWaalsContact N-CD 3.31Å; K38-E66 PolarHBondContact N-OE1 3.41Å; K38-E66 WeakPolarHBondContact O-CA 3.23Å; K38-E66 WeakPolarHBondContact O-CG 3.26Å; S40-E66 PolarHBondContact OG-O 2.56Å
67	G	82.7	Confident	80.6	Confident	45 Å²	45	75.6 Å²	75.6	46%	0.464	40%	0.401	S	S	.	.	S	Bend	trans	117	-7.4	179.5	0	0	0	0	0	113.1	S40 S65	S40-G67 VanDerWaalsContact OG-CA 3.28Å; S40-G67 WeakPolarHBondContact OG-CA 3.36Å; S40-G67 PolarHBondContact OG-N 3.47Å; S65-G67 PolarHBondContact O-N 2.93Å; S65-G67 PolarHBondContact OG-N 3.5Å
68	D	85.8	Confident	78.4	Confident	99 Å²	99	75.6 Å²	75.6	53%	0.529	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-71.6	148	175.7	-58.5	-59.7	0	0	0	111.8	Y43 S65	Y43-D68 PolarHBondContact OH-O 3.06Å; S65-D68 WeakPolarHBondContact CB-O 3.42Å; S65-D68 PolarHBondContact OG-N 3.25Å; S65-D68 PolarHBondContact OG-O 3.39Å
69	P	85.9	Confident	75.8	Confident	98 Å²	98	77.8 Å²	77.8	64%	0.636	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60.9	155.7	175.2	27.1	-34.8	0	0	0	111.5	N9 I71	N9-P69 PolarHBondContact ND2-O 3.47Å; P69-I71 PolarHBondContact O-N 2.76Å
70	F	87.2	Confident	73	Confident	46 Å²	46	78.2 Å²	78.2	20%	0.202	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-56.6	129.5	179.8	177.7	-105	0	0	0	112.1	N9 Y43 Y63 D72	N9-F70 WeakPolarHBondContact OD1-CA 3.33Å; N9-F70 WeakPolarHBondContact OD1-CD2 3.42Å; Y43-F70 HydrophobicContact CD1-CB 3.83Å; Y43-F70 HydrophobicContact CD2-CB 4.25Å; Y43-F70 HydrophobicContact CD2-CD2 4.25Å; Y43-F70 HydrophobicContact CE1-CB 4.09Å; Y43-F70 HydrophobicContact CE2-CB 4.48Å; Y43-F70 HydrophobicContact CG-CB 3.92Å; Y43-F70 AromaticContact CG-CD2 3.9Å; Y43-F70 HydrophobicContact CG-CD2 3.9Å; Y43-F70 HydrophobicContact CG-CG 4.31Å; Y63-F70 HydrophobicContact CD1-CE2 4.43Å; Y63-F70 AromaticContact CD2-CE2 3.65Å; Y63-F70 HydrophobicContact CD2-CE2 3.65Å; Y63-F70 HydrophobicContact CD2-CZ 4.33Å; Y63-F70 HydrophobicContact CE2-CE2 4.31Å; Y63-F70 AromaticContact CG-CE2 3.72Å; Y63-F70 HydrophobicContact CG-CE2 3.72Å; F70-D72 HydrophobicContact CE1-CB 4.02Å
71	I	83.8	Confident	70.4	Confident	74 Å²	74	81.1 Å²	81.1	38%	0.379	45%	0.448	S	S	.	.			trans	-109.9	117.1	173.8	-58.2	173.4	0	0	0	106.6	N9 G10 P69 P73	N9-I71 PolarHBondContact OD1-N 3.38Å; G10-I71 WeakPolarHBondContact CA-O 3.1Å; G10-I71 PolarHBondContact N-O 3.2Å; P69-I71 PolarHBondContact O-N 2.76Å; I71-P73 VanDerWaalsContact O-CD 3.28Å; I71-P73 WeakPolarHBondContact O-CD 3.4Å
72	D	79.1	Confident	67.4	Low	67 Å²	67	83.6 Å²	83.6	36%	0.358	46%	0.459	S	S	.	.			trans	-64.5	118.9	175.5	-175.7	-13.1	0	0	0	108.8	F70 Q74 S75	F70-D72 HydrophobicContact CE1-CB 4.02Å; D72-Q74 PolarHBondContact O-N 2.73Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.16Å; D72-Q74 PolarHBondContact OD1-N 2.73Å; D72-S75 VanDerWaalsContact O-CB 3.3Å; D72-S75 WeakPolarHBondContact O-CB 3.27Å; D72-S75 PolarHBondContact O-N 2.84Å; D72-S75 PolarHBondContact O-OG 3.03Å
73	P	66.6	Low	64.8	Low	15 Å²	15	92.1 Å²	92.1	10%	0.097	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.3	177.6	-16.7	27.4	0	0	0	114	G10 Y63 I71	G10-P73 WeakPolarHBondContact O-CA 3.46Å; Y63-P73 HydrophobicContact CD1-CG 3.97Å; Y63-P73 HydrophobicContact CE1-CB 4.47Å; Y63-P73 HydrophobicContact CE1-CG 3.21Å; I71-P73 VanDerWaalsContact O-CD 3.28Å; I71-P73 WeakPolarHBondContact O-CD 3.4Å
74	Q	65.8	Low	61.9	Low	169 Å²	169	98.9 Å²	98.9	79%	0.79	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.2	173.7	-56.3	-176.3	7.5	0	0	112.8	D72	D72-Q74 PolarHBondContact O-N 2.73Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.16Å; D72-Q74 PolarHBondContact OD1-N 2.73Å
75	S	57.9	Low	59.3	Low	74 Å²	74	102.8 Å²	102.8	52%	0.517	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-18.9	176.1	70.8	0	0	0	0	113.8	D72 V77	D72-S75 VanDerWaalsContact O-CB 3.3Å; D72-S75 WeakPolarHBondContact O-CB 3.27Å; D72-S75 PolarHBondContact O-N 2.84Å; D72-S75 PolarHBondContact O-OG 3.03Å; S75-V77 PolarHBondContact O-N 3.24Å
76	E	42.5	Very low	56.5	Low	148 Å²	148	107 Å²	107	69%	0.692	61%	0.606	S	S	*	*			trans	-81.6	55.6	170.1	-78.5	-162.9	159.6	0	0	112.9
77	V	41.2	Very low	54.3	Low	122 Å²	122	109.4 Å²	109.4	74%	0.739	62%	0.617	S	S	*	*			trans	-128.3	79.7	154.8	-171.8	0	0	0	0	108.7	S75	S75-V77 PolarHBondContact O-N 3.24Å
78	R	43.2	Very low	52.8	Low	188 Å²	188	112.4 Å²	112.4	71%	0.709	63%	0.626	S	S	*	*			trans	172	112.1	157.7	-90.8	150.9	-162.4	-134.7	5.6	103.3
79	V	34.5	Very low	52.3	Low	129 Å²	129	111.1 Å²	111.1	78%	0.782	62%	0.619	S	S	*	*				-163.3	115.2	68.8	178.5	0	0	0	0	108.7
80	T	29	Very low	52.1	Low	112 Å²	112	114 Å²	114	69%	0.687	62%	0.618	S	S	*	*			trans	-117	121.1	136.3	52.7	0	0	0	0	106.4	D82	T80-D82 PolarHBondContact O-N 2.8Å; T80-D82 PolarHBondContact OG1-OD2 3.33Å
81	S	37.8	Very low	52.2	Low	111 Å²	111	112.3 Å²	112.3	78%	0.776	61%	0.611	S	S	*	*			trans	-67.5	73.3	165.4	51.7	0	0	0	0	108.4	Q83	S81-Q83 VanDerWaalsContact C-N 3.34Å; S81-Q83 PolarHBondContact O-N 3.3Å
82	D	29.6	Very low	52.5	Low	117 Å²	117	111 Å²	111	63%	0.626	61%	0.606	S	S	*	*			trans	-86.6	87.6	167.4	-71.6	-42.1	0	0	0	107.6	T80 H84	T80-D82 PolarHBondContact O-N 2.8Å; T80-D82 PolarHBondContact OG1-OD2 3.33Å; D82-H84 PolarHBondContact O-N 3.07Å
83	Q	37.6	Very low	53.1	Low	179 Å²	179	107.8 Å²	107.8	84%	0.836	59%	0.589	S	S	*	*			trans	-51.2	96.6	134.1	-67.2	178.2	-3.3	0	0	105.3	S81	S81-Q83 VanDerWaalsContact C-N 3.34Å; S81-Q83 PolarHBondContact O-N 3.3Å
84	H	33.4	Very low	54.3	Low	172 Å²	172	108.4 Å²	108.4	80%	0.796	59%	0.592	S	S	*	*	S	Bend	trans	166.7	118	156.6	-88.5	93.6	0	0	0	106.9	D82 A86	D82-H84 PolarHBondContact O-N 3.07Å; H84-A86 PolarHBondContact O-N 3.25Å; H84-A86 VanDerWaalsContact O-N 3.14Å
85	G	38.5	Very low	55.6	Low	81 Å²	81	100.4 Å²	100.4	84%	0.835	55%	0.554	S	S	*	*			trans	-57.6	115.3	-174.9	0	0	0	0	0	113.5
86	A	32.7	Very low	57.1	Low	93 Å²	93	99.1 Å²	99.1	77%	0.769	55%	0.553	S	S	*	*			trans	-113	106.7	160.4	0	0	0	0	0	108.2	H84 T88	H84-A86 PolarHBondContact O-N 3.25Å; H84-A86 VanDerWaalsContact O-N 3.14Å; A86-T88 PolarHBondContact O-N 2.86Å
87	H	45.6	Very low	59.2	Low	158 Å²	158	95.1 Å²	95.1	73%	0.731	55%	0.551	S	S	*	*			trans	-66.6	110.1	-178.4	-75.6	-121.2	0	0	0	111.1	K123	H87-K123 PolarHBondContact CE1-NZ 2.82Å; H87-K123 PolarHBondContact ND1-NZ 3.03Å
88	T	52.2	Low	61.6	Low	108 Å²	108	94.5 Å²	94.5	66%	0.663	54%	0.536	S	S	*	.			trans	-101.1	125.5	153.3	56.6	0	0	0	0	108.1	A86 W90	A86-T88 PolarHBondContact O-N 2.86Å; T88-W90 PolarHBondContact O-N 3.09Å
89	D	74.1	Confident	63.9	Low	72 Å²	72	90.6 Å²	90.6	39%	0.385	53%	0.528	S	S	.	.			trans	-71.9	-1	174.7	-157.9	42.4	0	0	0	111.9	T103 R104 S105	D89-T103 CarbonylContact O-C 3.55Å; D89-T103 WeakPolarHBondContact O-CA 3.44Å; D89-R104 PolarHBondContact O-N 3.05Å; D89-R104 VanDerWaalsContact OD1-CB 3.27Å; D89-R104 WeakPolarHBondContact OD1-CB 3.46Å; D89-S105 WeakPolarHBondContact OD2-CB 3.14Å; D89-S105 PolarHBondContact OD2-N 2.87Å; D89-S105 VanDerWaalsContact OD2-N 3.12Å; D89-S105 PolarHBondContact OD2-OG 3Å
90	W	82.1	Confident	66.7	Low	158 Å²	158	85.2 Å²	85.2	60%	0.598	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.6	-179.6	-71.7	95.7	0	0	0	111.8	T88 T101 T102 T103	T88-W90 PolarHBondContact O-N 3.09Å; W90-T101 HydrophobicContact CE3-CG2 3.62Å; W90-T101 HydrophobicContact CZ3-CG2 3.96Å; W90-T102 CarbonylContact C-O 3.59Å; W90-T102 WeakPolarHBondContact CA-O 3.44Å; W90-T103 HydrophobicContact CD2-CG2 3.87Å; W90-T103 HydrophobicContact CE3-CG2 4.05Å; W90-T103 HydrophobicContact CG-CG2 4.37Å; W90-T103 HydrophobicContact CH2-CG2 4.4Å; W90-T103 HydrophobicContact CZ2-CG2 4.21Å; W90-T103 HydrophobicContact CZ3-CG2 4.32Å
91	L	88.8	Confident	69.7	Low	11 Å²	11	83.2 Å²	83.2	6%	0.058	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.4	177.1	62.4	92.3	0	0	0	110.1	L93 T102 R104 L107 F120 Y136	L91-L93 HydrophobicContact CD1-CD1 4.42Å; L91-L93 HydrophobicContact CD1-CD2 3.48Å; L91-L93 VanDerWaalsContact CD1-CD2 3.48Å; L91-L93 HydrophobicContact CD1-CG 3.72Å; L91-T102 HydrophobicContact CD1-CG2 3.69Å; L91-T102 HydrophobicContact CG-CG2 4.17Å; L91-T102 PolarHBondContact N-O 3.22Å; L91-T102 PolarHBondContact O-N 2.89Å; L91-T102 VanDerWaalsContact O-O 3.06Å; L91-R104 HydrophobicContact CD2-CB 3.92Å; L91-L107 HydrophobicContact CD1-CD1 3.74Å; L91-L107 HydrophobicContact CD2-CD1 4Å; L91-L107 HydrophobicContact CG-CD1 4.48Å; L91-F120 HydrophobicContact CD1-CE1 4.42Å; L91-F120 HydrophobicContact CD2-CD1 4.03Å; L91-F120 HydrophobicContact CD2-CE1 4.29Å; L91-F120 HydrophobicContact CD2-CG 4.47Å; L91-Y136 HydrophobicContact CB-CE2 4.32Å
92	T	90.3	Very high	72.2	Confident	47 Å²	47	78 Å²	78	29%	0.288	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.5	177.4	-52.3	0	0	0	0	109.2	L99 F100 A135 Y136	T92-L99 HydrophobicContact CG2-CB 4.33Å; T92-L99 HydrophobicContact CG2-CD2 4.01Å; T92-F100 CarbonylContact C-O 3.6Å; T92-F100 WeakPolarHBondContact CA-O 3.25Å; T92-A135 HydrophobicContact CG2-CB 3.89Å; T92-A135 CarbonylContact O-C 3.59Å; T92-A135 VanDerWaalsContact O-CA 3.27Å; T92-A135 WeakPolarHBondContact O-CA 2.88Å; T92-Y136 PolarHBondContact O-N 2.77Å
93	L	92.1	Very high	75.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.7	172.5	-53.4	178.7	0	0	0	108.6	L91 I95 L99 F100 L107 F120 Y136 I138 F145	L91-L93 HydrophobicContact CD1-CD1 4.42Å; L91-L93 HydrophobicContact CD1-CD2 3.48Å; L91-L93 VanDerWaalsContact CD1-CD2 3.48Å; L91-L93 HydrophobicContact CD1-CG 3.72Å; L93-I95 HydrophobicContact CB-CD1 3.84Å; L93-I95 HydrophobicContact CB-CG1 4.22Å; L93-I95 HydrophobicContact CD1-CD1 4.37Å; L93-L99 CarbonylContact O-C 3.57Å; L93-L99 WeakPolarHBondContact O-CA 3.28Å; L93-F100 HydrophobicContact CB-CB 4.4Å; L93-F100 PolarHBondContact N-O 3.28Å; L93-F100 PolarHBondContact O-N 2.91Å; L93-L107 HydrophobicContact CD1-CD1 4.2Å; L93-L107 HydrophobicContact CD2-CD1 4.45Å; L93-F120 HydrophobicContact CD2-CE1 4.4Å; L93-F120 HydrophobicContact CD2-CE2 4Å; L93-F120 HydrophobicContact CD2-CZ 3.54Å; L93-Y136 HydrophobicContact CD2-CD2 4.49Å; L93-Y136 HydrophobicContact CD2-CG 4.47Å; L93-I138 HydrophobicContact CD2-CD1 4.33Å; L93-F145 HydrophobicContact CD1-CE1 4.04Å; L93-F145 HydrophobicContact CD1-CZ 3.67Å
94	N	92.1	Very high	77.4	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.15	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	100.2	168.9	-174.3	-13.5	0	0	0	108	G97 L99 A135 Y136 L137 I138	N94-G97 VanDerWaalsContact OD1-C 3.28Å; N94-G97 WeakPolarHBondContact OD1-CA 3.45Å; N94-G97 PolarHBondContact OD1-N 3.16Å; N94-G97 VanDerWaalsContact OD1-N 3.07Å; N94-L99 HydrophobicContact CB-CD2 3.77Å; N94-A135 HydrophobicContact CB-CB 4.15Å; N94-Y136 PolarHBondContact N-O 3.23Å; N94-L137 HydrophobicContact CB-CD2 3.73Å; N94-I138 PolarHBondContact O-N 2.92Å
95	I	92.4	Very high	79.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	108.4	-178.6	-47.2	-60.1	0	0	0	108.1	L93 G97 R98 F100 I138 R140 P142 F145	L93-I95 HydrophobicContact CB-CD1 3.84Å; L93-I95 HydrophobicContact CB-CG1 4.22Å; L93-I95 HydrophobicContact CD1-CD1 4.37Å; I95-G97 PolarHBondContact O-N 3.14Å; I95-R98 PolarHBondContact N-O 3.29Å; I95-R98 PolarHBondContact O-N 2.92Å; I95-F100 HydrophobicContact CB-CD2 4.01Å; I95-F100 HydrophobicContact CB-CE2 3.87Å; I95-F100 HydrophobicContact CG1-CD2 3.61Å; I95-F100 HydrophobicContact CG1-CE2 3.92Å; I95-I138 WeakPolarHBondContact CA-O 3.4Å; I95-I138 HydrophobicContact CD1-CB 3.55Å; I95-I138 HydrophobicContact CD1-CD1 3.48Å; I95-I138 VanDerWaalsContact CD1-CD1 3.48Å; I95-I138 HydrophobicContact CD1-CG1 3.99Å; I95-I138 HydrophobicContact CD1-CG2 3.93Å; I95-R140 HydrophobicContact CG2-CB 4.07Å; I95-R140 WeakPolarHBondContact CG2-O 3.46Å; I95-P142 HydrophobicContact CB-CB 4.48Å; I95-P142 HydrophobicContact CG2-CB 4.48Å; I95-P142 WeakPolarHBondContact O-CB 3.29Å; I95-F145 HydrophobicContact CD1-CD1 4.33Å; I95-F145 HydrophobicContact CD1-CE1 4.14Å; I95-F145 HydrophobicContact CD1-CE2 4.42Å; I95-F145 HydrophobicContact CD1-CZ 4.2Å; I95-F145 HydrophobicContact CG1-CD1 3.64Å; I95-F145 HydrophobicContact CG1-CE1 3.8Å; I95-F145 HydrophobicContact CG1-CG 4.03Å; I95-F145 HydrophobicContact CG1-CZ 4.34Å; I95-F145 HydrophobicContact CG2-CB 4.11Å; I95-F145 HydrophobicContact CG2-CG 4.26Å
96	G	88.7	Confident	82.3	Confident	47 Å²	47	59 Å²	59	49%	0.485	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	27.2	177	0	0	0	0	0	114.7	I138 R140	G96-I138 PolarHBondContact N-O 3.14Å; G96-R140 VanDerWaalsContact CA-O 3.28Å; G96-R140 WeakPolarHBondContact CA-O 3.32Å; G96-R140 PolarHBondContact N-O 2.86Å
97	G	87.7	Confident	85	Confident	64 Å²	64	54.5 Å²	54.5	66%	0.66	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-9.4	-178.7	0	0	0	0	0	115.7	N94 I95	N94-G97 VanDerWaalsContact OD1-C 3.28Å; N94-G97 WeakPolarHBondContact OD1-CA 3.45Å; N94-G97 PolarHBondContact OD1-N 3.16Å; N94-G97 VanDerWaalsContact OD1-N 3.07Å; I95-G97 PolarHBondContact O-N 3.14Å
98	R	91.8	Very high	86.9	Confident	109 Å²	109	48.6 Å²	48.6	41%	0.411	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.6	175.4	-170.4	176	179.4	-158.2	-6.8	110.7	I95 F100 P142 E146	I95-R98 PolarHBondContact N-O 3.29Å; I95-R98 PolarHBondContact O-N 2.92Å; R98-F100 HydrophobicContact CB-CE2 3.87Å; R98-F100 HydrophobicContact CB-CZ 4.47Å; R98-F100 HydrophobicContact CG-CE2 3.87Å; R98-F100 HydrophobicContact CG-CZ 4.1Å; R98-F100 WeakPolarHBondContact O-CD2 3.45Å; R98-P142 HydrophobicContact CB-CB 3.61Å; R98-P142 HydrophobicContact CB-CG 4.11Å; R98-P142 HydrophobicContact CG-CB 4.37Å; R98-E146 IonicContact CZ-OE2 2.96Å; R98-E146 VanDerWaalsContact CZ-OE2 3.29Å; R98-E146 IonicContact NH1-OE2 3.78Å; R98-E146 PolarHBondContact NH1-OE2 2.75Å; R98-E146 IonicContact NH2-OE1 3.8Å; R98-E146 IonicContact NH2-OE2 2.77Å; R98-E146 PolarHBondContact NH2-OE2 3.11Å
99	L	92.1	Very high	88.4	Confident	107 Å²	107	47.5 Å²	47.5	56%	0.56	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	130	179.8	-62.6	176	0	0	0	111.4	T92 L93 N94 A135	T92-L99 HydrophobicContact CG2-CB 4.33Å; T92-L99 HydrophobicContact CG2-CD2 4.01Å; L93-L99 CarbonylContact O-C 3.57Å; L93-L99 WeakPolarHBondContact O-CA 3.28Å; N94-L99 HydrophobicContact CB-CD2 3.77Å; L99-A135 HydrophobicContact CD2-CB 4.12Å
100	F	93.1	Very high	88.9	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.7	173.9	-65.4	-93.6	0	0	0	109.1	T92 L93 I95 R98 P142 F145 E146 L149	T92-F100 CarbonylContact C-O 3.6Å; T92-F100 WeakPolarHBondContact CA-O 3.25Å; L93-F100 HydrophobicContact CB-CB 4.4Å; L93-F100 PolarHBondContact N-O 3.28Å; L93-F100 PolarHBondContact O-N 2.91Å; I95-F100 HydrophobicContact CB-CD2 4.01Å; I95-F100 HydrophobicContact CB-CE2 3.87Å; I95-F100 HydrophobicContact CG1-CD2 3.61Å; I95-F100 HydrophobicContact CG1-CE2 3.92Å; R98-F100 HydrophobicContact CB-CE2 3.87Å; R98-F100 HydrophobicContact CB-CZ 4.47Å; R98-F100 HydrophobicContact CG-CE2 3.87Å; R98-F100 HydrophobicContact CG-CZ 4.1Å; R98-F100 WeakPolarHBondContact O-CD2 3.45Å; F100-P142 HydrophobicContact CE2-CB 3.83Å; F100-P142 HydrophobicContact CZ-CB 4.02Å; F100-F145 HydrophobicContact CB-CE1 4.33Å; F100-F145 HydrophobicContact CD1-CD1 4.17Å; F100-F145 HydrophobicContact CD1-CE1 4.41Å; F100-F145 HydrophobicContact CD2-CD1 4.05Å; F100-F145 HydrophobicContact CD2-CE1 4.35Å; F100-F145 HydrophobicContact CE1-CD1 4.22Å; F100-F145 HydrophobicContact CE2-CD1 4.1Å; F100-F145 HydrophobicContact CG-CD1 4.08Å; F100-F145 HydrophobicContact CG-CE1 4.12Å; F100-F145 HydrophobicContact CZ-CD1 4.17Å; F100-E146 HydrophobicContact CE1-CB 3.98Å; F100-E146 HydrophobicContact CE1-CG 4.32Å; F100-E146 HydrophobicContact CZ-CB 4.46Å; F100-L149 HydrophobicContact CB-CD2 4.02Å; F100-L149 HydrophobicContact CD1-CD2 3.86Å; F100-L149 HydrophobicContact CG-CD2 4.32Å
101	T	90.9	Very high	89.1	Confident	69 Å²	69	39.9 Å²	39.9	42%	0.423	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	178.3	-55.9	0	0	0	0	109.6	W90 R153	W90-T101 HydrophobicContact CE3-CG2 3.62Å; W90-T101 HydrophobicContact CZ3-CG2 3.96Å; T101-R153 PolarHBondContact O-NH2 2.93Å
102	T	91.7	Very high	88.9	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	179.2	-177.8	-164.5	0	0	0	0	110.7	W90 L91 T106 L107 L149	W90-T102 CarbonylContact C-O 3.59Å; W90-T102 WeakPolarHBondContact CA-O 3.44Å; L91-T102 HydrophobicContact CD1-CG2 3.69Å; L91-T102 HydrophobicContact CG-CG2 4.17Å; L91-T102 PolarHBondContact N-O 3.22Å; L91-T102 PolarHBondContact O-N 2.89Å; L91-T102 VanDerWaalsContact O-O 3.06Å; T102-T106 WeakPolarHBondContact OG1-CB 3.22Å; T102-T106 WeakPolarHBondContact OG1-CG2 3.29Å; T102-L107 HydrophobicContact CG2-CD1 4.16Å; T102-L107 HydrophobicContact CG2-CD2 4Å; T102-L107 HydrophobicContact CG2-CG 3.94Å; T102-L149 HydrophobicContact CG2-CD1 4.1Å
103	T	89.5	Confident	88.8	Confident	24 Å²	24	46 Å²	46	15%	0.147	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	153.9	174.2	64.5	0	0	0	0	111.6	D89 W90 S105 T106 L107	D89-T103 CarbonylContact O-C 3.55Å; D89-T103 WeakPolarHBondContact O-CA 3.44Å; W90-T103 HydrophobicContact CD2-CG2 3.87Å; W90-T103 HydrophobicContact CE3-CG2 4.05Å; W90-T103 HydrophobicContact CG-CG2 4.37Å; W90-T103 HydrophobicContact CH2-CG2 4.4Å; W90-T103 HydrophobicContact CZ2-CG2 4.21Å; W90-T103 HydrophobicContact CZ3-CG2 4.32Å; T103-S105 VanDerWaalsContact C-N 3.27Å; T103-S105 VanDerWaalsContact CB-OG 3.32Å; T103-S105 WeakPolarHBondContact CB-OG 3.26Å; T103-S105 PolarHBondContact O-N 3.24Å; T103-S105 PolarHBondContact OG1-OG 3.32Å; T103-T106 WeakPolarHBondContact O-CB 3.15Å; T103-T106 PolarHBondContact O-N 2.88Å; T103-T106 VanDerWaalsContact O-N 3.07Å; T103-T106 PolarHBondContact OG1-N 3.15Å; T103-T106 PolarHBondContact OG1-OG1 3.1Å; T103-L107 PolarHBondContact O-N 3.22Å
104	R	85.7	Confident	88.8	Confident	42 Å²	42	46 Å²	46	16%	0.158	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-42.9	172.7	-173.2	178.3	-64.5	-90.5	-4.1	110.9	D89 L91 T106 L107 V108 F120	D89-R104 PolarHBondContact O-N 3.05Å; D89-R104 VanDerWaalsContact OD1-CB 3.27Å; D89-R104 WeakPolarHBondContact OD1-CB 3.46Å; L91-R104 HydrophobicContact CD2-CB 3.92Å; R104-T106 PolarHBondContact O-N 2.78Å; R104-L107 PolarHBondContact O-N 2.85Å; R104-V108 HydrophobicContact CG-CG2 4.14Å; R104-V108 WeakPolarHBondContact O-CG2 3.21Å; R104-V108 PolarHBondContact O-N 3.04Å; R104-F120 VanDerWaalsContact CD-O 3.27Å; R104-F120 WeakPolarHBondContact CD-O 3.3Å; R104-F120 HydrophobicContact CG-CB 4.24Å; R104-F120 VanDerWaalsContact CG-O 3.31Å; R104-F120 WeakPolarHBondContact CG-O 3.4Å; R104-F120 PolarHBondContact NH1-O 3.08Å
105	S	86.6	Confident	88.6	Confident	59 Å²	59	48.4 Å²	48.4	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-51.2	-41	171.7	40.9	0	0	0	0	113	D89 T103 L107 V108 S109	D89-S105 WeakPolarHBondContact OD2-CB 3.14Å; D89-S105 PolarHBondContact OD2-N 2.87Å; D89-S105 VanDerWaalsContact OD2-N 3.12Å; D89-S105 PolarHBondContact OD2-OG 3Å; T103-S105 VanDerWaalsContact C-N 3.27Å; T103-S105 VanDerWaalsContact CB-OG 3.32Å; T103-S105 WeakPolarHBondContact CB-OG 3.26Å; T103-S105 PolarHBondContact O-N 3.24Å; T103-S105 PolarHBondContact OG1-OG 3.32Å; S105-L107 PolarHBondContact O-N 3.27Å; S105-V108 PolarHBondContact O-N 3.44Å; S105-S109 WeakPolarHBondContact O-CB 3.49Å; S105-S109 PolarHBondContact O-N 2.79Å; S105-S109 PolarHBondContact O-OG 3.36Å
106	T	88.3	Confident	88.4	Confident	23 Å²	23	48.4 Å²	48.4	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-40.1	177.1	-60.3	0	0	0	0	112.1	T102 T103 R104 L152 R153	T102-T106 WeakPolarHBondContact OG1-CB 3.22Å; T102-T106 WeakPolarHBondContact OG1-CG2 3.29Å; T103-T106 WeakPolarHBondContact O-CB 3.15Å; T103-T106 PolarHBondContact O-N 2.88Å; T103-T106 VanDerWaalsContact O-N 3.07Å; T103-T106 PolarHBondContact OG1-N 3.15Å; T103-T106 PolarHBondContact OG1-OG1 3.1Å; R104-T106 PolarHBondContact O-N 2.78Å; T106-L152 HydrophobicContact CG2-CB 4.05Å; T106-R153 HydrophobicContact CG2-CB 4.39Å; T106-R153 HydrophobicContact CG2-CG 3.63Å
107	L	88.4	Confident	88.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-77.6	-25.4	-177.5	-62.6	-172.5	0	0	0	113.7	L91 L93 T102 T103 R104 S105 L116 A117 F120 L149 L152	L91-L107 HydrophobicContact CD1-CD1 3.74Å; L91-L107 HydrophobicContact CD2-CD1 4Å; L91-L107 HydrophobicContact CG-CD1 4.48Å; L93-L107 HydrophobicContact CD1-CD1 4.2Å; L93-L107 HydrophobicContact CD2-CD1 4.45Å; T102-L107 HydrophobicContact CG2-CD1 4.16Å; T102-L107 HydrophobicContact CG2-CD2 4Å; T102-L107 HydrophobicContact CG2-CG 3.94Å; T103-L107 PolarHBondContact O-N 3.22Å; R104-L107 PolarHBondContact O-N 2.85Å; S105-L107 PolarHBondContact O-N 3.27Å; L107-L116 HydrophobicContact CB-CB 4.44Å; L107-L116 HydrophobicContact CD2-CD1 4.28Å; L107-A117 PolarHBondContact O-N 3.25Å; L107-F120 HydrophobicContact CB-CD2 4.49Å; L107-F120 HydrophobicContact CD1-CD2 3.43Å; L107-F120 VanDerWaalsContact CD1-CD2 3.43Å; L107-F120 HydrophobicContact CD1-CE2 3.64Å; L107-F120 HydrophobicContact CD1-CG 4Å; L107-F120 HydrophobicContact CD1-CZ 4.31Å; L107-L149 HydrophobicContact CD2-CD1 4.21Å; L107-L152 HydrophobicContact CD2-CD1 4Å
108	V	86.4	Confident	88.3	Confident	34 Å²	34	47.2 Å²	47.2	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-103.3	-28.5	-172.2	-178.2	0	0	0	0	112.9	R104 S105 A117 F120	R104-V108 HydrophobicContact CG-CG2 4.14Å; R104-V108 WeakPolarHBondContact O-CG2 3.21Å; R104-V108 PolarHBondContact O-N 3.04Å; S105-V108 PolarHBondContact O-N 3.44Å; V108-A117 HydrophobicContact CG1-CB 4.43Å; V108-F120 HydrophobicContact CG2-CB 4.14Å
109	S	84.4	Confident	87.8	Confident	84 Å²	84	43.1 Å²	43.1	59%	0.587	23%	0.233	S	C	*	.	H	α-helix	trans	-74.1	-42.2	-167	56.2	0	0	0	0	115.1	S105	S105-S109 WeakPolarHBondContact O-CB 3.49Å; S105-S109 PolarHBondContact O-N 2.79Å; S105-S109 PolarHBondContact O-OG 3.36Å
110	K	84.4	Confident	87.4	Confident	57 Å²	57	38 Å²	38	25%	0.248	21%	0.207	C	C	.	.	S	Bend	trans	-82.6	-42.7	-170.5	-177.7	170	-83.9	121.4	0	113.1	Y151 L152	K110-Y151 HydrophobicContact CD-CD1 4.15Å; K110-Y151 HydrophobicContact CD-CE1 3.64Å; K110-Y151 HydrophobicContact CG-CE1 4.43Å; K110-Y151 PolarHBondContact NZ-O 3.15Å; K110-L152 HydrophobicContact CB-CD2 4.39Å; K110-L152 PolarHBondContact NZ-O 3.49Å
111	E	85.3	Confident	86.6	Confident	13 Å²	13	43.3 Å²	43.3	6%	0.061	23%	0.226	C	C	.	.			trans	-125.6	83.5	-178.9	-65.6	-63.2	166	0	0	110.1	E113 S114 A117 L152 I177 Q179	E111-E113 PolarHBondContact O-N 2.75Å; E111-E113 VanDerWaalsContact O-N 3.17Å; E111-S114 VanDerWaalsContact O-CB 3.3Å; E111-S114 WeakPolarHBondContact O-CB 3.42Å; E111-S114 PolarHBondContact O-N 2.9Å; E111-S114 PolarHBondContact O-OG 2.96Å; E111-A117 WeakPolarHBondContact O-CB 3.18Å; E111-L152 HydrophobicContact CG-CD2 4.4Å; E111-I177 HydrophobicContact CG-CB 4.46Å; E111-I177 HydrophobicContact CG-CG2 3.79Å; E111-Q179 VanDerWaalsContact OE1-CB 3.26Å; E111-Q179 WeakPolarHBondContact OE1-CB 3.35Å; E111-Q179 WeakPolarHBondContact OE1-CG 3.41Å; E111-Q179 PolarHBondContact OE1-NE2 2.73Å
112	P	85.9	Confident	85.6	Confident	54 Å²	54	46 Å²	46	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	-174.7	-23.6	34.6	0	0	0	114.1	A117 H118	P112-A117 VanDerWaalsContact O-CB 3.27Å; P112-A117 WeakPolarHBondContact O-CB 3.4Å; P112-H118 PolarHBondContact O-CE1 3.24Å; P112-H118 PolarHBondContact O-ND1 2.98Å
113	E	87.5	Confident	84.1	Confident	132 Å²	132	51.4 Å²	51.4	62%	0.617	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2	179.8	-56.1	-50.5	121.1	0	0	113.2	E111 H118 R121	E111-E113 PolarHBondContact O-N 2.75Å; E111-E113 VanDerWaalsContact O-N 3.17Å; E113-H118 IonicContact OE2-CE1 3.8Å; E113-R121 IonicContact OE1-NH2 2.76Å
114	S	91.4	Very high	82.4	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-68	153.6	176.7	68.8	0	0	0	0	112.1	E111 L116 A117 H118 F175 G176	E111-S114 VanDerWaalsContact O-CB 3.3Å; E111-S114 WeakPolarHBondContact O-CB 3.42Å; E111-S114 PolarHBondContact O-N 2.9Å; E111-S114 PolarHBondContact O-OG 2.96Å; S114-L116 PolarHBondContact O-N 3.29Å; S114-A117 WeakPolarHBondContact O-CB 3.16Å; S114-A117 PolarHBondContact O-N 2.67Å; S114-A117 VanDerWaalsContact O-N 3.08Å; S114-A117 WeakPolarHBondContact OG-CB 3.41Å; S114-A117 PolarHBondContact OG-N 3.2Å; S114-H118 PolarHBondContact O-N 3.29Å; S114-H118 PolarHBondContact O-ND1 3.24Å; S114-F175 WeakPolarHBondContact CB-O 3.34Å; S114-G176 WeakPolarHBondContact CA-O 3.43Å; S114-G176 WeakPolarHBondContact CB-O 3.26Å
115	M	88.4	Confident	80.8	Confident	80 Å²	80	59.5 Å²	59.5	39%	0.394	31%	0.306	S	S	.	.	H	α-helix	trans	-55.2	-41.2	172.9	-176.8	-170.5	-71.3	0	0	110.8	H118 M119 F174 F175	M115-H118 PolarHBondContact O-N 3.43Å; M115-M119 HydrophobicContact CG-CG 4.32Å; M115-M119 HydrophobicContact CG-SD 3.89Å; M115-M119 WeakPolarHBondContact O-CB 3.45Å; M115-M119 WeakPolarHBondContact O-CG 3.48Å; M115-M119 PolarHBondContact O-N 2.88Å; M115-M119 HydrophobicContact SD-SD 4.29Å; M115-F174 HydrophobicContact CE-CE1 4.4Å; M115-F174 HydrophobicContact CE-CZ 4.27Å; M115-F174 WeakPolarHBondContact CE-O 3.47Å; M115-F174 HydrophobicContact SD-CE1 4.03Å; M115-F174 HydrophobicContact SD-CZ 4.24Å; M115-F175 WeakPolarHBondContact CB-O 3.26Å; M115-F175 PolarHBondContact N-O 2.88Å
116	L	88.7	Confident	79.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-43.8	177	-67.2	170.3	0	0	0	111.2	L107 S114 H118 M119 F120 I138 F145 L152 F175 I177	L107-L116 HydrophobicContact CB-CB 4.44Å; L107-L116 HydrophobicContact CD2-CD1 4.28Å; S114-L116 PolarHBondContact O-N 3.29Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 3.3Å; L116-M119 PolarHBondContact O-N 2.89Å; L116-F120 HydrophobicContact CD2-CE2 4.26Å; L116-F120 WeakPolarHBondContact O-CD2 3.32Å; L116-F120 PolarHBondContact O-N 3.07Å; L116-F120 VanDerWaalsContact O-N 3.13Å; L116-I138 HydrophobicContact CD2-CD1 4.4Å; L116-F145 HydrophobicContact CD1-CE2 4.19Å; L116-L152 HydrophobicContact CD1-CD1 3.86Å; L116-F175 HydrophobicContact CD1-CB 4.16Å; L116-F175 HydrophobicContact CD1-CD1 3.92Å; L116-F175 HydrophobicContact CD1-CG 4.03Å; L116-F175 HydrophobicContact CD2-CD1 3.82Å; L116-F175 HydrophobicContact CD2-CE1 4.02Å; L116-F175 HydrophobicContact CG-CB 4.31Å; L116-F175 HydrophobicContact CG-CD1 3.68Å; L116-F175 HydrophobicContact CG-CE1 4.37Å; L116-F175 HydrophobicContact CG-CG 4.21Å; L116-I177 HydrophobicContact CD1-CD1 4.46Å
117	A	87.4	Confident	77.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-45.3	175.4	0	0	0	0	0	111	L107 V108 E111 P112 S114 M119 F120 R121	L107-A117 PolarHBondContact O-N 3.25Å; V108-A117 HydrophobicContact CG1-CB 4.43Å; E111-A117 WeakPolarHBondContact O-CB 3.18Å; P112-A117 VanDerWaalsContact O-CB 3.27Å; P112-A117 WeakPolarHBondContact O-CB 3.4Å; S114-A117 WeakPolarHBondContact O-CB 3.16Å; S114-A117 PolarHBondContact O-N 2.67Å; S114-A117 VanDerWaalsContact O-N 3.08Å; S114-A117 WeakPolarHBondContact OG-CB 3.41Å; S114-A117 PolarHBondContact OG-N 3.2Å; A117-M119 PolarHBondContact O-N 3Å; A117-F120 CarbonylContact O-C 3.38Å; A117-F120 PolarHBondContact O-N 3.31Å; A117-R121 WeakPolarHBondContact O-CA 3.39Å; A117-R121 VanDerWaalsContact O-CB 3.23Å; A117-R121 WeakPolarHBondContact O-CB 3.42Å; A117-R121 PolarHBondContact O-N 2.93Å
118	H	85.6	Confident	76.7	Confident	86 Å²	86	67.8 Å²	67.8	40%	0.398	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-43.1	178	-77.6	43.2	0	0	0	112.9	P112 E113 S114 M115 L116 F120	P112-H118 PolarHBondContact O-CE1 3.24Å; P112-H118 PolarHBondContact O-ND1 2.98Å; E113-H118 IonicContact OE2-CE1 3.8Å; S114-H118 PolarHBondContact O-N 3.29Å; S114-H118 PolarHBondContact O-ND1 3.24Å; M115-H118 PolarHBondContact O-N 3.43Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 3.3Å; H118-F120 PolarHBondContact O-N 3.01Å
119	M	82.3	Confident	76.1	Confident	22 Å²	22	74.2 Å²	74.2	11%	0.108	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-27.6	177.8	-74.8	172.3	76.2	0	0	113.2	M115 L116 A117 N128 I138	M115-M119 HydrophobicContact CG-CG 4.32Å; M115-M119 HydrophobicContact CG-SD 3.89Å; M115-M119 WeakPolarHBondContact O-CB 3.45Å; M115-M119 WeakPolarHBondContact O-CG 3.48Å; M115-M119 PolarHBondContact O-N 2.88Å; M115-M119 HydrophobicContact SD-SD 4.29Å; L116-M119 PolarHBondContact O-N 2.89Å; A117-M119 PolarHBondContact O-N 3Å; M119-N128 VanDerWaalsContact CE-OD1 3.29Å; M119-N128 WeakPolarHBondContact CE-OD1 3.18Å; M119-I138 HydrophobicContact CE-CD1 4.5Å
120	F	84	Confident	76	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-122	6.9	-171.5	-63.5	-76.4	0	0	0	114.2	L91 L93 R104 L107 V108 L116 A117 H118 Y136	L91-F120 HydrophobicContact CD1-CE1 4.42Å; L91-F120 HydrophobicContact CD2-CD1 4.03Å; L91-F120 HydrophobicContact CD2-CE1 4.29Å; L91-F120 HydrophobicContact CD2-CG 4.47Å; L93-F120 HydrophobicContact CD2-CE1 4.4Å; L93-F120 HydrophobicContact CD2-CE2 4Å; L93-F120 HydrophobicContact CD2-CZ 3.54Å; R104-F120 VanDerWaalsContact CD-O 3.27Å; R104-F120 WeakPolarHBondContact CD-O 3.3Å; R104-F120 HydrophobicContact CG-CB 4.24Å; R104-F120 VanDerWaalsContact CG-O 3.31Å; R104-F120 WeakPolarHBondContact CG-O 3.4Å; R104-F120 PolarHBondContact NH1-O 3.08Å; L107-F120 HydrophobicContact CB-CD2 4.49Å; L107-F120 HydrophobicContact CD1-CD2 3.43Å; L107-F120 VanDerWaalsContact CD1-CD2 3.43Å; L107-F120 HydrophobicContact CD1-CE2 3.64Å; L107-F120 HydrophobicContact CD1-CG 4Å; L107-F120 HydrophobicContact CD1-CZ 4.31Å; V108-F120 HydrophobicContact CG2-CB 4.14Å; L116-F120 HydrophobicContact CD2-CE2 4.26Å; L116-F120 WeakPolarHBondContact O-CD2 3.32Å; L116-F120 PolarHBondContact O-N 3.07Å; L116-F120 VanDerWaalsContact O-N 3.13Å; A117-F120 CarbonylContact O-C 3.38Å; A117-F120 PolarHBondContact O-N 3.31Å; H118-F120 PolarHBondContact O-N 3.01Å; F120-Y136 HydrophobicContact CD1-CE1 4.48Å; F120-Y136 AromaticContact CE1-CD1 3.65Å; F120-Y136 HydrophobicContact CE1-CD1 3.65Å; F120-Y136 AromaticContact CE1-CD2 3.76Å; F120-Y136 HydrophobicContact CE1-CD2 3.76Å; F120-Y136 AromaticContact CE1-CE1 3.62Å; F120-Y136 HydrophobicContact CE1-CE1 3.62Å; F120-Y136 AromaticContact CE1-CE2 3.73Å; F120-Y136 HydrophobicContact CE1-CE2 3.73Å; F120-Y136 AromaticContact CE1-CG 3.73Å; F120-Y136 HydrophobicContact CE1-CG 3.73Å; F120-Y136 AromaticContact CE1-CZ 3.65Å; F120-Y136 AromaticContact CZ-CD1 3.89Å; F120-Y136 HydrophobicContact CZ-CD1 3.89Å; F120-Y136 HydrophobicContact CZ-CD2 4.15Å; F120-Y136 HydrophobicContact CZ-CE1 4.32Å; F120-Y136 AromaticContact CZ-CG 3.8Å; F120-Y136 HydrophobicContact CZ-CG 3.8Å
121	R	76.7	Confident	75.8	Confident	128 Å²	128	75.4 Å²	75.4	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-46.8	178.7	-168	176.1	-112.7	170.5	0.9	111.8	E113 A117	E113-R121 IonicContact OE1-NH2 2.76Å; A117-R121 WeakPolarHBondContact O-CA 3.39Å; A117-R121 VanDerWaalsContact O-CB 3.23Å; A117-R121 WeakPolarHBondContact O-CB 3.42Å; A117-R121 PolarHBondContact O-N 2.93Å
122	E	69.7	Low	75.4	Confident	125 Å²	125	82.8 Å²	82.8	58%	0.584	40%	0.403	S	S	*	.	S	Bend	trans	-111.1	141.2	179	-66.3	-173.3	-163.3	0	0	110.9	D124 V125	E122-D124 PolarHBondContact O-N 2.73Å; E122-V125 HydrophobicContact CB-CB 4.21Å; E122-V125 HydrophobicContact CB-CG2 3.49Å; E122-V125 VanDerWaalsContact CB-CG2 3.49Å; E122-V125 HydrophobicContact CG-CG2 4.29Å; E122-V125 WeakPolarHBondContact OE2-CG2 3.3Å
123	K	58.9	Low	74.9	Confident	117 Å²	117	87.2 Å²	87.2	51%	0.509	41%	0.413	S	S	.	.	S	Bend	trans	-71.8	119.4	167.9	-79	-178.4	175	-176.9	0	106.5	H87	H87-K123 PolarHBondContact CE1-NZ 2.82Å; H87-K123 PolarHBondContact ND1-NZ 3.03Å
124	D	55.5	Low	74.4	Confident	140 Å²	140	82.6 Å²	82.6	75%	0.749	40%	0.402	S	S	*	.	S	Bend	trans	88.1	8.3	167.4	-47.8	-41.4	0	0	0	118.8	E122	E122-D124 PolarHBondContact O-N 2.73Å
125	V	50.9	Low	74.2	Confident	96 Å²	96	82.8 Å²	82.8	58%	0.582	40%	0.403	S	S	*	.	S	Bend	trans	-81.2	-31.5	176.2	178.1	0	0	0	0	113.3	E122	E122-V125 HydrophobicContact CB-CB 4.21Å; E122-V125 HydrophobicContact CB-CG2 3.49Å; E122-V125 VanDerWaalsContact CB-CG2 3.49Å; E122-V125 HydrophobicContact CG-CG2 4.29Å; E122-V125 WeakPolarHBondContact OE2-CG2 3.3Å
126	W	55.1	Low	74.2	Confident	150 Å²	150	79.9 Å²	79.9	57%	0.568	39%	0.388	S	S	*	.	S	Bend	trans	-107.1	117.6	-175	-148.1	-77.5	0	0	0	111.3	N128	W126-N128 PolarHBondContact O-N 3.3Å
127	G	57.8	Low	74.1	Confident	80 Å²	80	83.4 Å²	83.4	83%	0.825	41%	0.406	S	S	*	.			trans	-69.5	50.6	176.4	0	0	0	0	0	113.5	K129	G127-K129 PolarHBondContact O-N 3.23Å
128	N	64.9	Low	74.2	Confident	26 Å²	26	84.2 Å²	84.2	14%	0.139	41%	0.41	C	S	.	.			trans	-61.8	128.8	179.5	-77.5	-36.3	0	0	0	110.1	M119 W126 R130 Y136	M119-N128 VanDerWaalsContact CE-OD1 3.29Å; M119-N128 WeakPolarHBondContact CE-OD1 3.18Å; W126-N128 PolarHBondContact O-N 3.3Å; N128-R130 PolarHBondContact O-N 2.69Å; N128-R130 VanDerWaalsContact O-N 3.1Å; N128-Y136 HydrophobicContact CB-CD1 3.51Å; N128-Y136 HydrophobicContact CB-CE1 3.96Å
129	K	72.5	Confident	74.4	Confident	169 Å²	169	87.6 Å²	87.6	74%	0.735	43%	0.431	S	S	*	.			trans	-60.8	117.1	171.5	-69.3	-178.3	-179.3	175.3	0	107.9	G127 L137	G127-K129 PolarHBondContact O-N 3.23Å; K129-L137 HydrophobicContact CB-CB 4.45Å; K129-L137 HydrophobicContact CB-CD1 4.18Å; K129-L137 WeakPolarHBondContact O-CB 3.18Å; K129-L137 WeakPolarHBondContact O-CG 3.34Å; K129-L137 PolarHBondContact O-N 2.85Å
130	R	82.4	Confident	74.9	Confident	125 Å²	125	90.3 Å²	90.3	47%	0.472	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-104.2	146.2	171.9	-60	-176.3	-162.7	174.5	9.1	109	N128 A135 Y136	N128-R130 PolarHBondContact O-N 2.69Å; N128-R130 VanDerWaalsContact O-N 3.1Å; R130-A135 CarbonylContact C-O 3.53Å; R130-A135 WeakPolarHBondContact CA-O 3.33Å; R130-Y136 HydrophobicContact CG-CD1 4.24Å; R130-Y136 HydrophobicContact CG-CE1 4.36Å; R130-Y136 VanDerWaalsContact NE-CE1 3.33Å; R130-Y136 PolarHBondContact NH2-OH 3.1Å
131	D	80.2	Confident	75.2	Confident	40 Å²	40	91.8 Å²	91.8	21%	0.214	45%	0.451	C	S	.	.			trans	-75.1	176	168.3	67.3	18.4	0	0	0	111.7	Y133 G134 A135 L137	D131-Y133 PolarHBondContact O-N 3.1Å; D131-Y133 VanDerWaalsContact OD1-CA 3.31Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.24Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.35Å; D131-Y133 PolarHBondContact OD1-N 3.06Å; D131-G134 PolarHBondContact O-N 2.74Å; D131-G134 PolarHBondContact OD1-N 2.81Å; D131-A135 PolarHBondContact N-O 3.2Å; D131-A135 PolarHBondContact OD1-N 3.14Å; D131-L137 HydrophobicContact CB-CD2 4.05Å
132	K	77.9	Confident	75.9	Confident	168 Å²	168	87 Å²	87	73%	0.73	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.3	175.9	56.9	173.1	164.8	162	0	114.3
133	Y	74.7	Confident	77	Confident	147 Å²	147	86.9 Å²	86.9	58%	0.576	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-6.2	178.9	-56.6	-68.6	0	0	0	112.7	D131	D131-Y133 PolarHBondContact O-N 3.1Å; D131-Y133 VanDerWaalsContact OD1-CA 3.31Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.24Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.35Å; D131-Y133 PolarHBondContact OD1-N 3.06Å
134	G	78.4	Confident	78.7	Confident	36 Å²	36	84 Å²	84	37%	0.371	42%	0.422	S	S	.	.			trans	91.8	7.3	179.2	0	0	0	0	0	114.2	D131	D131-G134 PolarHBondContact O-N 2.74Å; D131-G134 PolarHBondContact OD1-N 2.81Å
135	A	85.8	Confident	80.6	Confident	3 Å²	3	77.3 Å²	77.3	3%	0.025	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-77.5	137	177.8	0	0	0	0	0	111.1	T92 N94 L99 R130 D131 L137	T92-A135 HydrophobicContact CG2-CB 3.89Å; T92-A135 CarbonylContact O-C 3.59Å; T92-A135 VanDerWaalsContact O-CA 3.27Å; T92-A135 WeakPolarHBondContact O-CA 2.88Å; N94-A135 HydrophobicContact CB-CB 4.15Å; L99-A135 HydrophobicContact CD2-CB 4.12Å; R130-A135 CarbonylContact C-O 3.53Å; R130-A135 WeakPolarHBondContact CA-O 3.33Å; D131-A135 PolarHBondContact N-O 3.2Å; D131-A135 PolarHBondContact OD1-N 3.14Å; A135-L137 PolarHBondContact O-N 3.22Å
136	Y	88.4	Confident	82.5	Confident	20 Å²	20	75.6 Å²	75.6	8%	0.078	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.2	178.8	-67	-96.6	0	0	0	110.1	L91 T92 L93 N94 F120 N128 R130	L91-Y136 HydrophobicContact CB-CE2 4.32Å; T92-Y136 PolarHBondContact O-N 2.77Å; L93-Y136 HydrophobicContact CD2-CD2 4.49Å; L93-Y136 HydrophobicContact CD2-CG 4.47Å; N94-Y136 PolarHBondContact N-O 3.23Å; F120-Y136 HydrophobicContact CD1-CE1 4.48Å; F120-Y136 AromaticContact CE1-CD1 3.65Å; F120-Y136 HydrophobicContact CE1-CD1 3.65Å; F120-Y136 AromaticContact CE1-CD2 3.76Å; F120-Y136 HydrophobicContact CE1-CD2 3.76Å; F120-Y136 AromaticContact CE1-CE1 3.62Å; F120-Y136 HydrophobicContact CE1-CE1 3.62Å; F120-Y136 AromaticContact CE1-CE2 3.73Å; F120-Y136 HydrophobicContact CE1-CE2 3.73Å; F120-Y136 AromaticContact CE1-CG 3.73Å; F120-Y136 HydrophobicContact CE1-CG 3.73Å; F120-Y136 AromaticContact CE1-CZ 3.65Å; F120-Y136 AromaticContact CZ-CD1 3.89Å; F120-Y136 HydrophobicContact CZ-CD1 3.89Å; F120-Y136 HydrophobicContact CZ-CD2 4.15Å; F120-Y136 HydrophobicContact CZ-CE1 4.32Å; F120-Y136 AromaticContact CZ-CG 3.8Å; F120-Y136 HydrophobicContact CZ-CG 3.8Å; N128-Y136 HydrophobicContact CB-CD1 3.51Å; N128-Y136 HydrophobicContact CB-CE1 3.96Å; R130-Y136 HydrophobicContact CG-CD1 4.24Å; R130-Y136 HydrophobicContact CG-CE1 4.36Å; R130-Y136 VanDerWaalsContact NE-CE1 3.33Å; R130-Y136 PolarHBondContact NH2-OH 3.1Å
137	L	87.7	Confident	84.4	Confident	73 Å²	73	68.6 Å²	68.6	38%	0.382	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125	-176.1	-58.1	179.9	0	0	0	110.9	N94 K129 D131 A135	N94-L137 HydrophobicContact CB-CD2 3.73Å; K129-L137 HydrophobicContact CB-CB 4.45Å; K129-L137 HydrophobicContact CB-CD1 4.18Å; K129-L137 WeakPolarHBondContact O-CB 3.18Å; K129-L137 WeakPolarHBondContact O-CG 3.34Å; K129-L137 PolarHBondContact O-N 2.85Å; D131-L137 HydrophobicContact CB-CD2 4.05Å; A135-L137 PolarHBondContact O-N 3.22Å
138	I	89.1	Confident	86.2	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	119.4	175.7	-63.6	168.8	0	0	0	107.9	L93 N94 I95 G96 L116 M119 R140 F175	L93-I138 HydrophobicContact CD2-CD1 4.33Å; N94-I138 PolarHBondContact O-N 2.92Å; I95-I138 WeakPolarHBondContact CA-O 3.4Å; I95-I138 HydrophobicContact CD1-CB 3.55Å; I95-I138 HydrophobicContact CD1-CD1 3.48Å; I95-I138 VanDerWaalsContact CD1-CD1 3.48Å; I95-I138 HydrophobicContact CD1-CG1 3.99Å; I95-I138 HydrophobicContact CD1-CG2 3.93Å; G96-I138 PolarHBondContact N-O 3.14Å; L116-I138 HydrophobicContact CD2-CD1 4.4Å; M119-I138 HydrophobicContact CE-CD1 4.5Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 HydrophobicContact CG2-CB 4Å; I138-R140 HydrophobicContact CG2-CG 3.61Å; I138-R140 PolarHBondContact O-N 2.99Å; I138-F175 HydrophobicContact CG2-CE1 4.14Å; I138-F175 HydrophobicContact CG2-CZ 4.08Å
139	D	90.3	Very high	87.6	Confident	157 Å²	157	63.6 Å²	63.6	84%	0.84	30%	0.3	S	S	*	.			trans	-85.9	71.1	-177.3	-171.5	21	0	0	0	111
140	R	91.8	Very high	88.6	Confident	79 Å²	79	57.3 Å²	57.3	30%	0.298	28%	0.275	S	S	.	.	S	Bend	trans	-140	169	-178.1	-62.8	-59.1	-62.3	179.6	0.6	111.2	I95 G96 I138 P142 E171 F174 F175	I95-R140 HydrophobicContact CG2-CB 4.07Å; I95-R140 WeakPolarHBondContact CG2-O 3.46Å; G96-R140 VanDerWaalsContact CA-O 3.28Å; G96-R140 WeakPolarHBondContact CA-O 3.32Å; G96-R140 PolarHBondContact N-O 2.86Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 HydrophobicContact CG2-CB 4Å; I138-R140 HydrophobicContact CG2-CG 3.61Å; I138-R140 PolarHBondContact O-N 2.99Å; R140-P142 WeakPolarHBondContact O-CD 3.32Å; R140-E171 IonicContact CZ-OE1 2.7Å; R140-E171 VanDerWaalsContact CZ-OE1 3.29Å; R140-E171 IonicContact CZ-OE2 3.44Å; R140-E171 IonicContact NE-OE1 3.29Å; R140-E171 PolarHBondContact NE-OE1 3.27Å; R140-E171 VanDerWaalsContact NE-OE1 3.17Å; R140-E171 IonicContact NE-OE2 3.59Å; R140-E171 PolarHBondContact NE-OE2 2.98Å; R140-E171 VanDerWaalsContact NH2-CD 3.33Å; R140-E171 IonicContact NH2-OE1 3.17Å; R140-E171 PolarHBondContact NH2-OE1 2.93Å; R140-E171 IonicContact NH2-OE2 3.29Å; R140-E171 PolarHBondContact NH2-OE2 2.94Å; R140-F174 HydrophobicContact CG-CD1 4.04Å; R140-F174 HydrophobicContact CG-CE1 3.67Å; R140-F174 HydrophobicContact CG-CZ 4.15Å; R140-F175 HydrophobicContact CB-CZ 4.42Å; R140-F175 HydrophobicContact CG-CZ 4.12Å
141	S	91.4	Very high	89.1	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.224	25%	0.253	C	S	.	.			trans	-72	122.4	179.5	177.9	0	0	0	0	111.6	E143 F145	S141-E143 VanDerWaalsContact C-N 3.27Å; S141-E143 PolarHBondContact O-N 3.14Å; S141-E143 PolarHBondContact OG-N 2.95Å; S141-F145 PolarHBondContact O-N 2.84Å
142	P	91.6	Very high	89.7	Confident	27 Å²	27	49.8 Å²	49.8	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-25.3	176.6	26.2	-32.6	0	0	0	113.3	I95 R98 F100 R140 F145 E146	I95-P142 HydrophobicContact CB-CB 4.48Å; I95-P142 HydrophobicContact CG2-CB 4.48Å; I95-P142 WeakPolarHBondContact O-CB 3.29Å; R98-P142 HydrophobicContact CB-CB 3.61Å; R98-P142 HydrophobicContact CB-CG 4.11Å; R98-P142 HydrophobicContact CG-CB 4.37Å; F100-P142 HydrophobicContact CE2-CB 3.83Å; F100-P142 HydrophobicContact CZ-CB 4.02Å; R140-P142 WeakPolarHBondContact O-CD 3.32Å; P142-F145 PolarHBondContact O-N 3.38Å; P142-E146 PolarHBondContact O-N 2.88Å
143	E	91.6	Very high	90.3	Very high	122 Å²	122	47.4 Å²	47.4	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-66.4	-41.1	-177	-64.3	170.9	178.6	0	0	111.7	S141	S141-E143 VanDerWaalsContact C-N 3.27Å; S141-E143 PolarHBondContact O-N 3.14Å; S141-E143 PolarHBondContact OG-N 2.95Å
144	Y	94.3	Very high	91	Very high	57 Å²	57	44.6 Å²	44.6	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-87.8	-14.5	-179.5	-59.7	-52.7	0	0	0	113.1	I163 N164 V168 E171	Y144-I163 HydrophobicContact CD1-CG2 3.88Å; Y144-I163 HydrophobicContact CE1-CG2 4.02Å; Y144-N164 HydrophobicContact CE1-CB 4.1Å; Y144-N164 WeakPolarHBondContact CE1-O 3.35Å; Y144-V168 HydrophobicContact CD1-CG2 3.92Å; Y144-E171 VanDerWaalsContact CB-CG 3.45Å; Y144-E171 HydrophobicContact CG-CG 4.46Å
145	F	94.9	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-77.9	-32.9	177.4	-176.3	-105.2	0	0	0	113.5	L93 I95 F100 L116 S141 P142 I148 L149 F175	L93-F145 HydrophobicContact CD1-CE1 4.04Å; L93-F145 HydrophobicContact CD1-CZ 3.67Å; I95-F145 HydrophobicContact CD1-CD1 4.33Å; I95-F145 HydrophobicContact CD1-CE1 4.14Å; I95-F145 HydrophobicContact CD1-CE2 4.42Å; I95-F145 HydrophobicContact CD1-CZ 4.2Å; I95-F145 HydrophobicContact CG1-CD1 3.64Å; I95-F145 HydrophobicContact CG1-CE1 3.8Å; I95-F145 HydrophobicContact CG1-CG 4.03Å; I95-F145 HydrophobicContact CG1-CZ 4.34Å; I95-F145 HydrophobicContact CG2-CB 4.11Å; I95-F145 HydrophobicContact CG2-CG 4.26Å; F100-F145 HydrophobicContact CB-CE1 4.33Å; F100-F145 HydrophobicContact CD1-CD1 4.17Å; F100-F145 HydrophobicContact CD1-CE1 4.41Å; F100-F145 HydrophobicContact CD2-CD1 4.05Å; F100-F145 HydrophobicContact CD2-CE1 4.35Å; F100-F145 HydrophobicContact CE1-CD1 4.22Å; F100-F145 HydrophobicContact CE2-CD1 4.1Å; F100-F145 HydrophobicContact CG-CD1 4.08Å; F100-F145 HydrophobicContact CG-CE1 4.12Å; F100-F145 HydrophobicContact CZ-CD1 4.17Å; L116-F145 HydrophobicContact CD1-CE2 4.19Å; S141-F145 PolarHBondContact O-N 2.84Å; P142-F145 PolarHBondContact O-N 3.38Å; F145-I148 WeakPolarHBondContact O-CB 3.4Å; F145-I148 PolarHBondContact O-N 3.33Å; F145-L149 HydrophobicContact CD1-CB 4.39Å; F145-L149 HydrophobicContact CE1-CB 4Å; F145-L149 HydrophobicContact CE1-CD2 4.13Å; F145-L149 HydrophobicContact CE1-CG 4.45Å; F145-L149 HydrophobicContact CZ-CB 4.39Å; F145-L149 PolarHBondContact O-N 3.09Å; F145-F175 HydrophobicContact CD2-CD2 4.2Å; F145-F175 AromaticContact CD2-CE2 3.5Å; F145-F175 HydrophobicContact CD2-CE2 3.5Å; F145-F175 VanDerWaalsContact CD2-CE2 3.5Å; F145-F175 AromaticContact CD2-CZ 3.76Å; F145-F175 HydrophobicContact CD2-CZ 3.76Å; F145-F175 HydrophobicContact CE2-CD2 4.34Å; F145-F175 HydrophobicContact CE2-CE1 4.38Å; F145-F175 AromaticContact CE2-CE2 3.88Å; F145-F175 HydrophobicContact CE2-CE2 3.88Å; F145-F175 AromaticContact CE2-CZ 3.88Å; F145-F175 HydrophobicContact CE2-CZ 3.88Å
146	E	92.5	Very high	91.5	Very high	59 Å²	59	50 Å²	50	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-45	-176.4	-175.3	167.1	-173.6	0	0	113.7	R98 F100 P142 I148 L149 N150	R98-E146 IonicContact CZ-OE2 2.96Å; R98-E146 VanDerWaalsContact CZ-OE2 3.29Å; R98-E146 IonicContact NH1-OE2 3.78Å; R98-E146 PolarHBondContact NH1-OE2 2.75Å; R98-E146 IonicContact NH2-OE1 3.8Å; R98-E146 IonicContact NH2-OE2 2.77Å; R98-E146 PolarHBondContact NH2-OE2 3.11Å; F100-E146 HydrophobicContact CE1-CB 3.98Å; F100-E146 HydrophobicContact CE1-CG 4.32Å; F100-E146 HydrophobicContact CZ-CB 4.46Å; P142-E146 PolarHBondContact O-N 2.88Å; E146-I148 VanDerWaalsContact C-N 3.28Å; E146-I148 PolarHBondContact O-N 3.16Å; E146-L149 PolarHBondContact O-N 2.66Å; E146-N150 PolarHBondContact O-N 3.2Å; E146-N150 VanDerWaalsContact O-N 3.12Å; E146-N150 PolarHBondContact O-ND2 3.02Å
147	P	94.3	Very high	91.6	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-36.9	172.7	-25.5	35.9	0	0	0	113.5	N150 Y151 V159 I163 V168	P147-N150 PolarHBondContact O-N 2.96Å; P147-Y151 PolarHBondContact O-N 2.83Å; P147-V159 HydrophobicContact CB-CG2 4.34Å; P147-I163 HydrophobicContact CG-CD1 4.32Å; P147-V168 HydrophobicContact CB-CG1 3.97Å; P147-V168 HydrophobicContact CB-CG2 4.46Å; P147-V168 HydrophobicContact CG-CG1 4.44Å; P147-V168 HydrophobicContact CG-CG2 4.1Å
148	I	95	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-46.4	179.6	-66.8	173.3	0	0	0	110.5	F145 E146 N150 Y151 L152 V168 E171 A172 F175 I177 L180	F145-I148 WeakPolarHBondContact O-CB 3.4Å; F145-I148 PolarHBondContact O-N 3.33Å; E146-I148 VanDerWaalsContact C-N 3.28Å; E146-I148 PolarHBondContact O-N 3.16Å; I148-N150 VanDerWaalsContact C-N 3.26Å; I148-N150 PolarHBondContact O-N 3.24Å; I148-Y151 WeakPolarHBondContact O-CB 3.34Å; I148-Y151 PolarHBondContact O-N 3.45Å; I148-L152 HydrophobicContact CG2-CD1 4.43Å; I148-L152 WeakPolarHBondContact O-CG 3.19Å; I148-L152 PolarHBondContact O-N 2.7Å; I148-V168 HydrophobicContact CG1-CG1 4.12Å; I148-E171 HydrophobicContact CD1-CB 3.29Å; I148-E171 HydrophobicContact CD1-CG 4.5Å; I148-A172 HydrophobicContact CD1-CB 4.22Å; I148-A172 VanDerWaalsContact CD1-N 3.35Å; I148-F175 HydrophobicContact CD1-CD2 4.22Å; I148-I177 HydrophobicContact CG2-CD1 3.14Å; I148-L180 HydrophobicContact CB-CD2 4.37Å; I148-L180 HydrophobicContact CG1-CD2 3.9Å; I148-L180 HydrophobicContact CG2-CD2 4.4Å
149	L	94.3	Very high	91.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-39.4	178.1	-177.3	60.3	0	0	0	111.4	F100 T102 L107 F145 E146 L152 R153	F100-L149 HydrophobicContact CB-CD2 4.02Å; F100-L149 HydrophobicContact CD1-CD2 3.86Å; F100-L149 HydrophobicContact CG-CD2 4.32Å; T102-L149 HydrophobicContact CG2-CD1 4.1Å; L107-L149 HydrophobicContact CD2-CD1 4.21Å; F145-L149 HydrophobicContact CD1-CB 4.39Å; F145-L149 HydrophobicContact CE1-CB 4Å; F145-L149 HydrophobicContact CE1-CD2 4.13Å; F145-L149 HydrophobicContact CE1-CG 4.45Å; F145-L149 HydrophobicContact CZ-CB 4.39Å; F145-L149 PolarHBondContact O-N 3.09Å; E146-L149 PolarHBondContact O-N 2.66Å; L149-L152 PolarHBondContact O-N 2.65Å; L149-R153 VanDerWaalsContact O-CG 3.3Å; L149-R153 WeakPolarHBondContact O-CG 3.27Å; L149-R153 PolarHBondContact O-N 2.91Å
150	N	93	Very high	91.1	Very high	37 Å²	37	50.2 Å²	50.2	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-42.3	175.6	-75.1	-19.1	0	0	0	112.1	E146 P147 I148 L152 R153 H154	E146-N150 PolarHBondContact O-N 3.2Å; E146-N150 VanDerWaalsContact O-N 3.12Å; E146-N150 PolarHBondContact O-ND2 3.02Å; P147-N150 PolarHBondContact O-N 2.96Å; I148-N150 VanDerWaalsContact C-N 3.26Å; I148-N150 PolarHBondContact O-N 3.24Å; N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 3.01Å; N150-R153 WeakPolarHBondContact O-CB 3.36Å; N150-R153 PolarHBondContact O-N 3.14Å; N150-R153 VanDerWaalsContact O-N 3.1Å; N150-R153 PolarHBondContact OD1-NH1 2.95Å; N150-H154 WeakPolarHBondContact CB-NE2 3.21Å; N150-H154 PolarHBondContact O-CD2 2.88Å; N150-H154 PolarHBondContact O-CE1 3Å; N150-H154 VanDerWaalsContact O-CE1 3.26Å; N150-H154 PolarHBondContact O-N 2.61Å; N150-H154 PolarHBondContact O-ND1 3.41Å; N150-H154 PolarHBondContact O-NE2 2.97Å; N150-H154 VanDerWaalsContact O-NE2 3.13Å
151	Y	94.3	Very high	90.4	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-45	171.2	173.8	-96.8	0	0	0	112	K110 P147 I148 R153 G155 I177 Q179 L180	K110-Y151 HydrophobicContact CD-CD1 4.15Å; K110-Y151 HydrophobicContact CD-CE1 3.64Å; K110-Y151 HydrophobicContact CG-CE1 4.43Å; K110-Y151 PolarHBondContact NZ-O 3.15Å; P147-Y151 PolarHBondContact O-N 2.83Å; I148-Y151 WeakPolarHBondContact O-CB 3.34Å; I148-Y151 PolarHBondContact O-N 3.45Å; Y151-R153 VanDerWaalsContact C-N 3.31Å; Y151-R153 PolarHBondContact O-N 3.03Å; Y151-G155 WeakPolarHBondContact O-CA 3.24Å; Y151-G155 PolarHBondContact O-N 3Å; Y151-I177 HydrophobicContact CD1-CG2 3.99Å; Y151-I177 HydrophobicContact CE1-CG2 3.78Å; Y151-Q179 WeakPolarHBondContact OH-CB 3.49Å; Y151-L180 HydrophobicContact CD1-CB 3.95Å; Y151-L180 HydrophobicContact CD1-CD1 4.16Å; Y151-L180 HydrophobicContact CD1-CD2 3.8Å; Y151-L180 HydrophobicContact CD1-CG 4.18Å; Y151-L180 HydrophobicContact CD2-CD1 3.58Å; Y151-L180 HydrophobicContact CD2-CG 4.46Å; Y151-L180 HydrophobicContact CE1-CB 3.77Å; Y151-L180 HydrophobicContact CE1-CD1 4.49Å; Y151-L180 HydrophobicContact CE1-CD2 4.48Å; Y151-L180 HydrophobicContact CE1-CG 4.47Å; Y151-L180 HydrophobicContact CE2-CB 4.42Å; Y151-L180 HydrophobicContact CE2-CD1 3.94Å; Y151-L180 HydrophobicContact CG-CB 4.35Å; Y151-L180 HydrophobicContact CG-CD1 3.68Å; Y151-L180 HydrophobicContact CG-CD2 3.86Å; Y151-L180 HydrophobicContact CG-CG 4.17Å
152	L	91.4	Very high	89.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-41.1	176	-67	175.1	0	0	0	111.6	T106 L107 K110 E111 L116 I148 L149 N150 I177	T106-L152 HydrophobicContact CG2-CB 4.05Å; L107-L152 HydrophobicContact CD2-CD1 4Å; K110-L152 HydrophobicContact CB-CD2 4.39Å; K110-L152 PolarHBondContact NZ-O 3.49Å; E111-L152 HydrophobicContact CG-CD2 4.4Å; L116-L152 HydrophobicContact CD1-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CD1 4.43Å; I148-L152 WeakPolarHBondContact O-CG 3.19Å; I148-L152 PolarHBondContact O-N 2.7Å; L149-L152 PolarHBondContact O-N 2.65Å; N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 3.01Å; L152-I177 HydrophobicContact CD1-CD1 4.16Å; L152-I177 HydrophobicContact CD2-CD1 4.21Å; L152-I177 HydrophobicContact CG-CD1 4.33Å
153	R	91.3	Very high	89.4	Confident	118 Å²	118	59.6 Å²	59.6	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-52	177.8	-72.7	167.9	174.4	164.7	-5.7	114	T101 T106 L149 N150 Y151	T101-R153 PolarHBondContact O-NH2 2.93Å; T106-R153 HydrophobicContact CG2-CB 4.39Å; T106-R153 HydrophobicContact CG2-CG 3.63Å; L149-R153 VanDerWaalsContact O-CG 3.3Å; L149-R153 WeakPolarHBondContact O-CG 3.27Å; L149-R153 PolarHBondContact O-N 2.91Å; N150-R153 WeakPolarHBondContact O-CB 3.36Å; N150-R153 PolarHBondContact O-N 3.14Å; N150-R153 VanDerWaalsContact O-N 3.1Å; N150-R153 PolarHBondContact OD1-NH1 2.95Å; Y151-R153 VanDerWaalsContact C-N 3.31Å; Y151-R153 PolarHBondContact O-N 3.03Å
154	H	89.6	Confident	89.2	Confident	87 Å²	87	58.2 Å²	58.2	40%	0.403	31%	0.309	S	S	.	.	H	α-helix	trans	-127.9	-7.7	-168.3	53	69.6	0	0	0	115	N150 Q156	N150-H154 WeakPolarHBondContact CB-NE2 3.21Å; N150-H154 PolarHBondContact O-CD2 2.88Å; N150-H154 PolarHBondContact O-CE1 3Å; N150-H154 VanDerWaalsContact O-CE1 3.26Å; N150-H154 PolarHBondContact O-N 2.61Å; N150-H154 PolarHBondContact O-ND1 3.41Å; N150-H154 PolarHBondContact O-NE2 2.97Å; N150-H154 VanDerWaalsContact O-NE2 3.13Å; H154-Q156 VanDerWaalsContact C-N 3.34Å; H154-Q156 PolarHBondContact CE1-O 2.91Å; H154-Q156 PolarHBondContact ND1-N 2.8Å
155	G	87.1	Confident	88.9	Confident	26 Å²	26	57.8 Å²	57.8	27%	0.268	31%	0.311	S	S	.	.	S	Bend	trans	83.9	10.1	170.1	0	0	0	0	0	114.7	Y151	Y151-G155 WeakPolarHBondContact O-CA 3.24Å; Y151-G155 PolarHBondContact O-N 3Å
156	Q	88.1	Confident	88.7	Confident	127 Å²	127	62.8 Å²	62.8	59%	0.593	33%	0.33	S	S	*	.			trans	-111.8	134.9	176.4	-62.2	-178.4	-16.6	0	0	108.7	H154 I158	H154-Q156 VanDerWaalsContact C-N 3.34Å; H154-Q156 PolarHBondContact CE1-O 2.91Å; H154-Q156 PolarHBondContact ND1-N 2.8Å; Q156-I158 HydrophobicContact CB-CG1 4.42Å; Q156-I158 PolarHBondContact O-N 2.97Å
157	L	89.1	Confident	88.6	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.257	32%	0.323	S	S	.	.			trans	-75.7	111.5	170.5	174.3	65.9	0	0	0	108.8	V159 L180 L184 V187	L157-V159 HydrophobicContact CD1-CG2 3.62Å; L157-V159 HydrophobicContact CG-CG2 4.08Å; L157-L180 HydrophobicContact CB-CD1 4.22Å; L157-L180 HydrophobicContact CD1-CD1 3.82Å; L157-L180 HydrophobicContact CG-CD1 4.46Å; L157-L184 HydrophobicContact CD1-CD2 3.8Å; L157-L184 HydrophobicContact CD1-CG 4.34Å; L157-L184 HydrophobicContact CD2-CD2 3.54Å; L157-L184 HydrophobicContact CD2-CG 4.08Å; L157-L184 HydrophobicContact CG-CD2 4.33Å; L157-V187 HydrophobicContact CD2-CG2 4.38Å
158	I	86.9	Confident	88.6	Confident	81 Å²	81	60.4 Å²	60.4	42%	0.415	32%	0.322	S	S	.	.			trans	-121.5	116	174	-56.9	176.6	0	0	0	107.4	Q156	Q156-I158 HydrophobicContact CB-CG1 4.42Å; Q156-I158 PolarHBondContact O-N 2.97Å
159	V	86.6	Confident	88.6	Confident	44 Å²	44	60.4 Å²	60.4	27%	0.267	32%	0.322	S	S	.	.			trans	-119.9	122.5	178.6	-176.2	0	0	0	0	107.7	P147 L157 I163 I165	P147-V159 HydrophobicContact CB-CG2 4.34Å; L157-V159 HydrophobicContact CD1-CG2 3.62Å; L157-V159 HydrophobicContact CG-CG2 4.08Å; V159-I163 HydrophobicContact CG1-CB 3.68Å; V159-I163 HydrophobicContact CG1-CG2 3.87Å; V159-I165 HydrophobicContact CG1-CG1 4.44Å
160	N	84.2	Confident	88.6	Confident	98 Å²	98	64 Å²	64	52%	0.524	34%	0.338	S	S	.	.			trans	-67	150.6	178.4	-64.6	-25.6	0	0	0	110.8	G162 I163	N160-G162 PolarHBondContact O-N 3.02Å; N160-I163 HydrophobicContact CB-CD1 3.89Å; N160-I163 HydrophobicContact CB-CG1 4.34Å; N160-I163 PolarHBondContact O-N 3.44Å
161	E	76.2	Confident	88.7	Confident	204 Å²	204	62.8 Å²	62.8	95%	0.953	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	130.4	172.7	-69	-174.1	168.8	0	0	110.5
162	G	77.1	Confident	88.7	Confident	87 Å²	87	62.5 Å²	62.5	90%	0.897	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-11.5	-178.3	0	0	0	0	0	115.6	N160	N160-G162 PolarHBondContact O-N 3.02Å
163	I	85.8	Confident	88.9	Confident	43 Å²	43	67.6 Å²	67.6	22%	0.221	35%	0.349	C	S	.	.			trans	-82.8	128.6	174.3	-60.9	178.8	0	0	0	110.2	Y144 P147 V159 N160 I165 V168	Y144-I163 HydrophobicContact CD1-CG2 3.88Å; Y144-I163 HydrophobicContact CE1-CG2 4.02Å; P147-I163 HydrophobicContact CG-CD1 4.32Å; V159-I163 HydrophobicContact CG1-CB 3.68Å; V159-I163 HydrophobicContact CG1-CG2 3.87Å; N160-I163 HydrophobicContact CB-CD1 3.89Å; N160-I163 HydrophobicContact CB-CG1 4.34Å; N160-I163 PolarHBondContact O-N 3.44Å; I163-I165 PolarHBondContact O-N 3.22Å; I163-V168 HydrophobicContact CG2-CG2 3.73Å
164	N	86.4	Confident	89	Confident	93 Å²	93	65.9 Å²	65.9	50%	0.497	35%	0.345	S	S	.	.			trans	-72	112.4	176.3	-171.2	-25.7	0	0	0	111.3	Y144 R166 G167 V168	Y144-N164 HydrophobicContact CE1-CB 4.1Å; Y144-N164 WeakPolarHBondContact CE1-O 3.35Å; N164-R166 PolarHBondContact O-N 3.14Å; N164-R166 VanDerWaalsContact OD1-CB 3.24Å; N164-R166 WeakPolarHBondContact OD1-CB 3.36Å; N164-R166 PolarHBondContact OD1-N 3.19Å; N164-G167 PolarHBondContact O-N 3.45Å; N164-V168 PolarHBondContact O-N 3.37Å
165	I	89.5	Confident	89.1	Confident	48 Å²	48	61.8 Å²	61.8	25%	0.246	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-32.5	179.6	-59.5	178.2	0	0	0	111.8	V159 I163 G167 V168 L169 L184 V187 L188	V159-I165 HydrophobicContact CG1-CG1 4.44Å; I163-I165 PolarHBondContact O-N 3.22Å; I165-G167 VanDerWaalsContact C-N 3.33Å; I165-G167 PolarHBondContact O-N 3.41Å; I165-V168 PolarHBondContact O-N 2.94Å; I165-L169 PolarHBondContact O-N 2.72Å; I165-L184 HydrophobicContact CG2-CD2 3.6Å; I165-V187 HydrophobicContact CD1-CG1 3.93Å; I165-V187 HydrophobicContact CG2-CG1 4.45Å; I165-L188 HydrophobicContact CB-CD2 4.09Å; I165-L188 HydrophobicContact CG2-CD1 4.39Å; I165-L188 HydrophobicContact CG2-CD2 3.95Å; I165-L188 HydrophobicContact CG2-CG 3.89Å
166	R	89.9	Confident	89.4	Confident	106 Å²	106	61.7 Å²	61.7	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-38.9	175.8	-170.1	71.5	-151.6	-174.4	5.7	111.8	N164 V168 L169 E170 R173	N164-R166 PolarHBondContact O-N 3.14Å; N164-R166 VanDerWaalsContact OD1-CB 3.24Å; N164-R166 WeakPolarHBondContact OD1-CB 3.36Å; N164-R166 PolarHBondContact OD1-N 3.19Å; R166-V168 VanDerWaalsContact C-N 3.35Å; R166-L169 WeakPolarHBondContact O-CB 3.41Å; R166-L169 PolarHBondContact O-N 3Å; R166-E170 IonicContact CZ-OE1 3.11Å; R166-E170 VanDerWaalsContact CZ-OE1 3.32Å; R166-E170 IonicContact NE-OE1 2.86Å; R166-E170 PolarHBondContact NE-OE1 3.15Å; R166-E170 VanDerWaalsContact NE-OE1 3.11Å; R166-E170 IonicContact NH2-OE1 3.59Å; R166-E170 PolarHBondContact NH2-OE1 3.3Å; R166-E170 WeakPolarHBondContact O-CG 3.21Å; R166-E170 PolarHBondContact O-N 2.79Å; R166-R173 VanDerWaalsContact NH2-NH1 3.11Å
167	G	90.2	Very high	89.6	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-41	175.4	0	0	0	0	0	112	N164 I165 L169 E170 E171	N164-G167 PolarHBondContact O-N 3.45Å; I165-G167 VanDerWaalsContact C-N 3.33Å; I165-G167 PolarHBondContact O-N 3.41Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 2.9Å; G167-E170 PolarHBondContact O-N 2.73Å; G167-E171 PolarHBondContact O-N 2.93Å; G167-E171 VanDerWaalsContact O-N 3.14Å
168	V	94.2	Very high	89.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-40.1	174.2	-172.2	0	0	0	0	111.3	Y144 P147 I148 I163 N164 I165 R166 E171 A172 L184	Y144-V168 HydrophobicContact CD1-CG2 3.92Å; P147-V168 HydrophobicContact CB-CG1 3.97Å; P147-V168 HydrophobicContact CB-CG2 4.46Å; P147-V168 HydrophobicContact CG-CG1 4.44Å; P147-V168 HydrophobicContact CG-CG2 4.1Å; I148-V168 HydrophobicContact CG1-CG1 4.12Å; I163-V168 HydrophobicContact CG2-CG2 3.73Å; N164-V168 PolarHBondContact O-N 3.37Å; I165-V168 PolarHBondContact O-N 2.94Å; R166-V168 VanDerWaalsContact C-N 3.35Å; V168-E171 PolarHBondContact O-N 3.46Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.23Å; V168-L184 HydrophobicContact CB-CD1 4.4Å; V168-L184 HydrophobicContact CG1-CD1 3.89Å; V168-L184 HydrophobicContact CG1-CD2 4.34Å
169	L	94.6	Very high	90	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-43.9	176.2	174.9	61.8	0	0	0	112.3	I165 R166 G167 E171 A172 R173 A181 L184 E185 L188	I165-L169 PolarHBondContact O-N 2.72Å; R166-L169 WeakPolarHBondContact O-CB 3.41Å; R166-L169 PolarHBondContact O-N 3Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 2.9Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.24Å; L169-A172 PolarHBondContact O-N 3.1Å; L169-R173 HydrophobicContact CD1-CG 4.24Å; L169-R173 WeakPolarHBondContact O-CG 3.42Å; L169-R173 PolarHBondContact O-N 2.87Å; L169-A181 HydrophobicContact CD1-CB 3.87Å; L169-A181 WeakPolarHBondContact CD1-O 3.26Å; L169-L184 HydrophobicContact CB-CB 4.21Å; L169-L184 HydrophobicContact CB-CD1 4.31Å; L169-L184 HydrophobicContact CD1-CB 3.92Å; L169-E185 HydrophobicContact CD1-CG 4.05Å; L169-E185 HydrophobicContact CD2-CG 3.91Å; L169-L188 HydrophobicContact CB-CD1 4.36Å; L169-L188 HydrophobicContact CD2-CD1 3.55Å
170	E	94.3	Very high	90.3	Very high	77 Å²	77	58.8 Å²	58.8	36%	0.36	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178.1	-65.1	-51.3	140.4	0	0	112	R166 G167 R173 F174	R166-E170 IonicContact CZ-OE1 3.11Å; R166-E170 VanDerWaalsContact CZ-OE1 3.32Å; R166-E170 IonicContact NE-OE1 2.86Å; R166-E170 PolarHBondContact NE-OE1 3.15Å; R166-E170 VanDerWaalsContact NE-OE1 3.11Å; R166-E170 IonicContact NH2-OE1 3.59Å; R166-E170 PolarHBondContact NH2-OE1 3.3Å; R166-E170 WeakPolarHBondContact O-CG 3.21Å; R166-E170 PolarHBondContact O-N 2.79Å; G167-E170 PolarHBondContact O-N 2.73Å; E170-R173 IonicContact OE1-NH1 3.32Å; E170-F174 WeakPolarHBondContact O-CB 3.33Å; E170-F174 PolarHBondContact O-N 3.25Å
171	E	95.4	Very high	90.7	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-41.3	172.9	-67.9	-52.3	139	0	0	112.1	R140 Y144 I148 G167 V168 L169 R173 F174 F175	R140-E171 IonicContact CZ-OE1 2.7Å; R140-E171 VanDerWaalsContact CZ-OE1 3.29Å; R140-E171 IonicContact CZ-OE2 3.44Å; R140-E171 IonicContact NE-OE1 3.29Å; R140-E171 PolarHBondContact NE-OE1 3.27Å; R140-E171 VanDerWaalsContact NE-OE1 3.17Å; R140-E171 IonicContact NE-OE2 3.59Å; R140-E171 PolarHBondContact NE-OE2 2.98Å; R140-E171 VanDerWaalsContact NH2-CD 3.33Å; R140-E171 IonicContact NH2-OE1 3.17Å; R140-E171 PolarHBondContact NH2-OE1 2.93Å; R140-E171 IonicContact NH2-OE2 3.29Å; R140-E171 PolarHBondContact NH2-OE2 2.94Å; Y144-E171 VanDerWaalsContact CB-CG 3.45Å; Y144-E171 HydrophobicContact CG-CG 4.46Å; I148-E171 HydrophobicContact CD1-CB 3.29Å; I148-E171 HydrophobicContact CD1-CG 4.5Å; G167-E171 PolarHBondContact O-N 2.93Å; G167-E171 VanDerWaalsContact O-N 3.14Å; V168-E171 PolarHBondContact O-N 3.46Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.24Å; E171-R173 VanDerWaalsContact C-N 3.28Å; E171-R173 PolarHBondContact O-N 3.24Å; E171-F174 WeakPolarHBondContact O-CB 3.09Å; E171-F174 PolarHBondContact O-N 2.81Å; E171-F174 VanDerWaalsContact O-N 3.14Å; E171-F175 HydrophobicContact CB-CD2 4.4Å; E171-F175 HydrophobicContact CB-CE2 4.31Å; E171-F175 WeakPolarHBondContact O-CD2 3.31Å; E171-F175 PolarHBondContact O-N 3.05Å; E171-F175 WeakPolarHBondContact OE2-CE2 3.47Å
172	A	95	Very high	91.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-40.7	178.1	0	0	0	0	0	111.4	I148 V168 L169 G176 I177 L180 A181 L184	I148-A172 HydrophobicContact CD1-CB 4.22Å; I148-A172 VanDerWaalsContact CD1-N 3.35Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.23Å; L169-A172 PolarHBondContact O-N 3.1Å; A172-G176 PolarHBondContact O-N 3.49Å; A172-G176 VanDerWaalsContact O-N 3.16Å; A172-I177 PolarHBondContact O-N 3.35Å; A172-L180 HydrophobicContact CB-CD2 4.08Å; A172-L180 HydrophobicContact CB-CG 4.22Å; A172-A181 HydrophobicContact CB-CB 4.43Å; A172-L184 HydrophobicContact CB-CD1 4.01Å
173	R	94.8	Very high	92.1	Very high	109 Å²	109	50.9 Å²	50.9	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-44.4	172.7	-72.6	169.8	170.8	-166.4	-9.2	112.1	R166 L169 E170 E171 F175 G176 A181 E185	R166-R173 VanDerWaalsContact NH2-NH1 3.11Å; L169-R173 HydrophobicContact CD1-CG 4.24Å; L169-R173 WeakPolarHBondContact O-CG 3.42Å; L169-R173 PolarHBondContact O-N 2.87Å; E170-R173 IonicContact OE1-NH1 3.32Å; E171-R173 VanDerWaalsContact C-N 3.28Å; E171-R173 PolarHBondContact O-N 3.24Å; R173-F175 VanDerWaalsContact C-N 3.33Å; R173-F175 PolarHBondContact O-N 2.94Å; R173-G176 PolarHBondContact O-N 2.69Å; R173-G176 VanDerWaalsContact O-N 3.08Å; R173-A181 HydrophobicContact CG-CB 4.15Å; R173-E185 IonicContact CZ-OE1 2.66Å; R173-E185 IonicContact NE-OE1 2.7Å; R173-E185 IonicContact NH2-OE1 3.67Å; R173-E185 PolarHBondContact NH2-OE1 3.46Å
174	F	93.3	Very high	92.3	Very high	81 Å²	81	48.8 Å²	48.8	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-45.2	177.6	176	-94.2	0	0	0	111.9	M115 R140 E170 E171 G176	M115-F174 HydrophobicContact CE-CE1 4.4Å; M115-F174 HydrophobicContact CE-CZ 4.27Å; M115-F174 WeakPolarHBondContact CE-O 3.47Å; M115-F174 HydrophobicContact SD-CE1 4.03Å; M115-F174 HydrophobicContact SD-CZ 4.24Å; R140-F174 HydrophobicContact CG-CD1 4.04Å; R140-F174 HydrophobicContact CG-CE1 3.67Å; R140-F174 HydrophobicContact CG-CZ 4.15Å; E170-F174 WeakPolarHBondContact O-CB 3.33Å; E170-F174 PolarHBondContact O-N 3.25Å; E171-F174 WeakPolarHBondContact O-CB 3.09Å; E171-F174 PolarHBondContact O-N 2.81Å; E171-F174 VanDerWaalsContact O-N 3.14Å; F174-G176 VanDerWaalsContact C-N 3.25Å; F174-G176 PolarHBondContact O-N 2.73Å
175	F	93.4	Very high	92.5	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.1	178.1	-66.7	-65.8	0	0	0	113.9	S114 M115 L116 I138 R140 F145 I148 E171 R173 I177	S114-F175 WeakPolarHBondContact CB-O 3.34Å; M115-F175 WeakPolarHBondContact CB-O 3.26Å; M115-F175 PolarHBondContact N-O 2.88Å; L116-F175 HydrophobicContact CD1-CB 4.16Å; L116-F175 HydrophobicContact CD1-CD1 3.92Å; L116-F175 HydrophobicContact CD1-CG 4.03Å; L116-F175 HydrophobicContact CD2-CD1 3.82Å; L116-F175 HydrophobicContact CD2-CE1 4.02Å; L116-F175 HydrophobicContact CG-CB 4.31Å; L116-F175 HydrophobicContact CG-CD1 3.68Å; L116-F175 HydrophobicContact CG-CE1 4.37Å; L116-F175 HydrophobicContact CG-CG 4.21Å; I138-F175 HydrophobicContact CG2-CE1 4.14Å; I138-F175 HydrophobicContact CG2-CZ 4.08Å; R140-F175 HydrophobicContact CB-CZ 4.42Å; R140-F175 HydrophobicContact CG-CZ 4.12Å; F145-F175 HydrophobicContact CD2-CD2 4.2Å; F145-F175 AromaticContact CD2-CE2 3.5Å; F145-F175 HydrophobicContact CD2-CE2 3.5Å; F145-F175 VanDerWaalsContact CD2-CE2 3.5Å; F145-F175 AromaticContact CD2-CZ 3.76Å; F145-F175 HydrophobicContact CD2-CZ 3.76Å; F145-F175 HydrophobicContact CE2-CD2 4.34Å; F145-F175 HydrophobicContact CE2-CE1 4.38Å; F145-F175 AromaticContact CE2-CE2 3.88Å; F145-F175 HydrophobicContact CE2-CE2 3.88Å; F145-F175 AromaticContact CE2-CZ 3.88Å; F145-F175 HydrophobicContact CE2-CZ 3.88Å; I148-F175 HydrophobicContact CD1-CD2 4.22Å; E171-F175 HydrophobicContact CB-CD2 4.4Å; E171-F175 HydrophobicContact CB-CE2 4.31Å; E171-F175 WeakPolarHBondContact O-CD2 3.31Å; E171-F175 PolarHBondContact O-N 3.05Å; E171-F175 WeakPolarHBondContact OE2-CE2 3.47Å; R173-F175 VanDerWaalsContact C-N 3.33Å; R173-F175 PolarHBondContact O-N 2.94Å; F175-I177 HydrophobicContact CB-CD1 3.89Å; F175-I177 HydrophobicContact CB-CG1 3.99Å
176	G	91.6	Very high	92.4	Very high	25 Å²	25	49 Å²	49	26%	0.258	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	37.1	179.8	0	0	0	0	0	113.7	S114 A172 R173 F174 E178	S114-G176 WeakPolarHBondContact CA-O 3.43Å; S114-G176 WeakPolarHBondContact CB-O 3.26Å; A172-G176 PolarHBondContact O-N 3.49Å; A172-G176 VanDerWaalsContact O-N 3.16Å; R173-G176 PolarHBondContact O-N 2.69Å; R173-G176 VanDerWaalsContact O-N 3.08Å; F174-G176 VanDerWaalsContact C-N 3.25Å; F174-G176 PolarHBondContact O-N 2.73Å; G176-E178 PolarHBondContact O-N 2.77Å
177	I	94.3	Very high	92.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.233	C	C	.	.			trans	-97	77.3	-179.9	-56.5	173.9	0	0	0	107.5	E111 L116 I148 Y151 L152 A172 F175 Q179 L180 A181	E111-I177 HydrophobicContact CG-CB 4.46Å; E111-I177 HydrophobicContact CG-CG2 3.79Å; L116-I177 HydrophobicContact CD1-CD1 4.46Å; I148-I177 HydrophobicContact CG2-CD1 3.14Å; Y151-I177 HydrophobicContact CD1-CG2 3.99Å; Y151-I177 HydrophobicContact CE1-CG2 3.78Å; L152-I177 HydrophobicContact CD1-CD1 4.16Å; L152-I177 HydrophobicContact CD2-CD1 4.21Å; L152-I177 HydrophobicContact CG-CD1 4.33Å; A172-I177 PolarHBondContact O-N 3.35Å; F175-I177 HydrophobicContact CB-CD1 3.89Å; F175-I177 HydrophobicContact CB-CG1 3.99Å; I177-Q179 PolarHBondContact O-N 3.33Å; I177-L180 HydrophobicContact CB-CB 4.28Å; I177-L180 HydrophobicContact CG2-CB 3.37Å; I177-L180 HydrophobicContact CG2-CD2 4.01Å; I177-L180 HydrophobicContact CG2-CG 4.33Å; I177-L180 PolarHBondContact O-N 3.21Å; I177-A181 PolarHBondContact O-N 3.33Å
178	E	91.2	Very high	91.9	Very high	138 Å²	138	47.3 Å²	47.3	65%	0.645	23%	0.233	S	C	*	.	H	α-helix	trans	-61.6	-46.9	-167.1	-65.5	-172.5	163.2	0	0	113	G176 L180 A181 E182	G176-E178 PolarHBondContact O-N 2.77Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.14Å; E178-A181 WeakPolarHBondContact O-CB 3.32Å; E178-A181 PolarHBondContact O-N 3.31Å; E178-A181 VanDerWaalsContact O-N 3.08Å; E178-E182 PolarHBondContact O-N 3.17Å
179	Q	92.4	Very high	91.1	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-37.9	-179.3	-57.4	177.3	32.3	0	0	111.8	E111 Y151 I177 Q183	E111-Q179 VanDerWaalsContact OE1-CB 3.26Å; E111-Q179 WeakPolarHBondContact OE1-CB 3.35Å; E111-Q179 WeakPolarHBondContact OE1-CG 3.41Å; E111-Q179 PolarHBondContact OE1-NE2 2.73Å; Y151-Q179 WeakPolarHBondContact OH-CB 3.49Å; I177-Q179 PolarHBondContact O-N 3.33Å; Q179-Q183 VanDerWaalsContact O-CG 3.3Å; Q179-Q183 WeakPolarHBondContact O-CG 3.46Å; Q179-Q183 PolarHBondContact O-N 2.9Å; Q179-Q183 VanDerWaalsContact O-N 3.1Å
180	L	92.7	Very high	90.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.5	-40.5	175.7	-176	58.7	0	0	0	111.6	I148 Y151 L157 A172 I177 E178 Q183 L184	I148-L180 HydrophobicContact CB-CD2 4.37Å; I148-L180 HydrophobicContact CG1-CD2 3.9Å; I148-L180 HydrophobicContact CG2-CD2 4.4Å; Y151-L180 HydrophobicContact CD1-CB 3.95Å; Y151-L180 HydrophobicContact CD1-CD1 4.16Å; Y151-L180 HydrophobicContact CD1-CD2 3.8Å; Y151-L180 HydrophobicContact CD1-CG 4.18Å; Y151-L180 HydrophobicContact CD2-CD1 3.58Å; Y151-L180 HydrophobicContact CD2-CG 4.46Å; Y151-L180 HydrophobicContact CE1-CB 3.77Å; Y151-L180 HydrophobicContact CE1-CD1 4.49Å; Y151-L180 HydrophobicContact CE1-CD2 4.48Å; Y151-L180 HydrophobicContact CE1-CG 4.47Å; Y151-L180 HydrophobicContact CE2-CB 4.42Å; Y151-L180 HydrophobicContact CE2-CD1 3.94Å; Y151-L180 HydrophobicContact CG-CB 4.35Å; Y151-L180 HydrophobicContact CG-CD1 3.68Å; Y151-L180 HydrophobicContact CG-CD2 3.86Å; Y151-L180 HydrophobicContact CG-CG 4.17Å; L157-L180 HydrophobicContact CB-CD1 4.22Å; L157-L180 HydrophobicContact CD1-CD1 3.82Å; L157-L180 HydrophobicContact CG-CD1 4.46Å; A172-L180 HydrophobicContact CB-CD2 4.08Å; A172-L180 HydrophobicContact CB-CG 4.22Å; I177-L180 HydrophobicContact CB-CB 4.28Å; I177-L180 HydrophobicContact CG2-CB 3.37Å; I177-L180 HydrophobicContact CG2-CD2 4.01Å; I177-L180 HydrophobicContact CG2-CG 4.33Å; I177-L180 PolarHBondContact O-N 3.21Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.14Å; L180-Q183 PolarHBondContact O-N 3.13Å; L180-L184 HydrophobicContact CD1-CD1 4.24Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CD2-CD1 4.48Å; L180-L184 HydrophobicContact CG-CD1 3.84Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CD1 3.43Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.2Å; L180-L184 PolarHBondContact O-N 2.99Å
181	A	92.4	Very high	88.8	Confident	10 Å²	10	60.2 Å²	60.2	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-44	177.3	0	0	0	0	0	111.2	L169 A172 R173 I177 E178 Q183 L184 E185	L169-A181 HydrophobicContact CD1-CB 3.87Å; L169-A181 WeakPolarHBondContact CD1-O 3.26Å; A172-A181 HydrophobicContact CB-CB 4.43Å; R173-A181 HydrophobicContact CG-CB 4.15Å; I177-A181 PolarHBondContact O-N 3.33Å; E178-A181 WeakPolarHBondContact O-CB 3.32Å; E178-A181 PolarHBondContact O-N 3.31Å; E178-A181 VanDerWaalsContact O-N 3.08Å; A181-Q183 PolarHBondContact O-N 2.9Å; A181-L184 PolarHBondContact O-N 2.89Å; A181-E185 WeakPolarHBondContact O-CG 3.27Å; A181-E185 PolarHBondContact O-N 3.44Å
182	E	91.9	Very high	86.9	Confident	130 Å²	130	66.2 Å²	66.2	61%	0.607	33%	0.332	S	S	*	.	H	α-helix	trans	-59.8	-46	174.3	-70.7	-177.7	173.9	0	0	111.9	E178 L184 E185 V186	E178-E182 PolarHBondContact O-N 3.17Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.26Å; E182-E185 PolarHBondContact O-N 2.72Å; E182-V186 WeakPolarHBondContact O-CG2 3.37Å; E182-V186 PolarHBondContact O-N 2.93Å
183	Q	90.8	Very high	84.9	Confident	83 Å²	83	71.7 Å²	71.7	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-45	175.8	-73.5	179	6.8	0	0	111.8	Q179 L180 A181 V186 V187	Q179-Q183 VanDerWaalsContact O-CG 3.3Å; Q179-Q183 WeakPolarHBondContact O-CG 3.46Å; Q179-Q183 PolarHBondContact O-N 2.9Å; Q179-Q183 VanDerWaalsContact O-N 3.1Å; L180-Q183 PolarHBondContact O-N 3.13Å; A181-Q183 PolarHBondContact O-N 2.9Å; Q183-V186 PolarHBondContact O-N 3.24Å; Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.44Å; Q183-V187 PolarHBondContact O-N 2.67Å
184	L	91.1	Very high	82.8	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-36	178.6	-75.5	165.5	0	0	0	112.5	L157 I165 V168 L169 A172 L180 A181 E182 V187 L188	L157-L184 HydrophobicContact CD1-CD2 3.8Å; L157-L184 HydrophobicContact CD1-CG 4.34Å; L157-L184 HydrophobicContact CD2-CD2 3.54Å; L157-L184 HydrophobicContact CD2-CG 4.08Å; L157-L184 HydrophobicContact CG-CD2 4.33Å; I165-L184 HydrophobicContact CG2-CD2 3.6Å; V168-L184 HydrophobicContact CB-CD1 4.4Å; V168-L184 HydrophobicContact CG1-CD1 3.89Å; V168-L184 HydrophobicContact CG1-CD2 4.34Å; L169-L184 HydrophobicContact CB-CB 4.21Å; L169-L184 HydrophobicContact CB-CD1 4.31Å; L169-L184 HydrophobicContact CD1-CB 3.92Å; A172-L184 HydrophobicContact CB-CD1 4.01Å; L180-L184 HydrophobicContact CD1-CD1 4.24Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CD2-CD1 4.48Å; L180-L184 HydrophobicContact CG-CD1 3.84Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CD1 3.43Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.2Å; L180-L184 PolarHBondContact O-N 2.99Å; A181-L184 PolarHBondContact O-N 2.89Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.26Å; L184-V187 PolarHBondContact O-N 3.29Å; L184-L188 WeakPolarHBondContact O-CB 3.12Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 3.04Å
185	E	90	Very high	81	Confident	62 Å²	62	74.4 Å²	74.4	29%	0.29	39%	0.392	S	S	.	.	H	α-helix	trans	-65.6	-41.1	174.4	-77.5	-175.4	-166.5	0	0	112.5	L169 R173 A181 E182 L188 K189	L169-E185 HydrophobicContact CD1-CG 4.05Å; L169-E185 HydrophobicContact CD2-CG 3.91Å; R173-E185 IonicContact CZ-OE1 2.66Å; R173-E185 IonicContact NE-OE1 2.7Å; R173-E185 IonicContact NH2-OE1 3.67Å; R173-E185 PolarHBondContact NH2-OE1 3.46Å; A181-E185 WeakPolarHBondContact O-CG 3.27Å; A181-E185 PolarHBondContact O-N 3.44Å; E182-E185 PolarHBondContact O-N 2.72Å; E185-L188 PolarHBondContact O-N 2.89Å; E185-K189 WeakPolarHBondContact O-CB 3.34Å; E185-K189 WeakPolarHBondContact O-CG 3.27Å; E185-K189 PolarHBondContact O-N 3.12Å
186	V	87.1	Confident	79.5	Confident	83 Å²	83	82 Å²	82	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-62.5	-44.7	174.1	172.5	0	0	0	0	110.4	E182 Q183 L188 K189 N190	E182-V186 WeakPolarHBondContact O-CG2 3.37Å; E182-V186 PolarHBondContact O-N 2.93Å; Q183-V186 PolarHBondContact O-N 3.24Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.34Å; V186-K189 PolarHBondContact O-N 2.53Å; V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 PolarHBondContact O-N 3.26Å; V186-N190 PolarHBondContact O-ND2 2.98Å
187	V	86	Confident	78.4	Confident	54 Å²	54	88.3 Å²	88.3	33%	0.327	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-44.5	176.1	172.9	0	0	0	0	110.8	L157 I165 Q183 L184 N190 S191	L157-V187 HydrophobicContact CD2-CG2 4.38Å; I165-V187 HydrophobicContact CD1-CG1 3.93Å; I165-V187 HydrophobicContact CG2-CG1 4.45Å; Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.44Å; Q183-V187 PolarHBondContact O-N 2.67Å; L184-V187 PolarHBondContact O-N 3.29Å; V187-N190 PolarHBondContact O-N 3.46Å; V187-S191 VanDerWaalsContact O-CB 3.28Å; V187-S191 WeakPolarHBondContact O-CB 3.25Å; V187-S191 PolarHBondContact O-N 3.19Å; V187-S191 PolarHBondContact O-OG 3.39Å
188	L	83.7	Confident	77.9	Confident	29 Å²	29	90.5 Å²	90.5	15%	0.152	47%	0.471	C	S	.	.	H	α-helix	trans	-64.9	-44.4	179	-78.6	170.3	0	0	0	112.4	I165 L169 L184 E185 V186 N190 S191 Q192	I165-L188 HydrophobicContact CB-CD2 4.09Å; I165-L188 HydrophobicContact CG2-CD1 4.39Å; I165-L188 HydrophobicContact CG2-CD2 3.95Å; I165-L188 HydrophobicContact CG2-CG 3.89Å; L169-L188 HydrophobicContact CB-CD1 4.36Å; L169-L188 HydrophobicContact CD2-CD1 3.55Å; L184-L188 WeakPolarHBondContact O-CB 3.12Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 3.04Å; E185-L188 PolarHBondContact O-N 2.89Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.34Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 3.38Å; L188-S191 VanDerWaalsContact CA-OG 3.29Å; L188-S191 WeakPolarHBondContact CA-OG 3.22Å; L188-S191 PolarHBondContact O-N 2.88Å; L188-S191 VanDerWaalsContact O-N 3.1Å; L188-S191 PolarHBondContact O-OG 2.78Å; L188-Q192 PolarHBondContact O-N 3.13Å
189	K	78	Confident	77.9	Confident	146 Å²	146	86.9 Å²	86.9	64%	0.635	46%	0.459	S	S	*	.	H	α-helix	trans	-59.8	-40.8	174.6	-76.2	177	-178.7	173.3	0	112.1	E185 V186 S191	E185-K189 WeakPolarHBondContact O-CB 3.34Å; E185-K189 WeakPolarHBondContact O-CG 3.27Å; E185-K189 PolarHBondContact O-N 3.12Å; V186-K189 PolarHBondContact O-N 2.53Å; K189-S191 VanDerWaalsContact C-N 3.26Å; K189-S191 PolarHBondContact O-N 2.93Å
190	N	72.6	Confident	77.9	Confident	132 Å²	132	83.1 Å²	83.1	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-74	-16.5	177	-67.6	-21.9	0	0	0	113.6	V186 V187 L188	V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 PolarHBondContact O-N 3.26Å; V186-N190 PolarHBondContact O-ND2 2.98Å; V187-N190 PolarHBondContact O-N 3.46Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 3.38Å
191	S	66.4	Low	77.9	Confident	70 Å²	70	85.5 Å²	85.5	49%	0.49	46%	0.458	S	S	.	.	H	α-helix	trans	-100.5	-8.9	-179.5	70.5	0	0	0	0	114.2	V187 L188 K189	V187-S191 VanDerWaalsContact O-CB 3.28Å; V187-S191 WeakPolarHBondContact O-CB 3.25Å; V187-S191 PolarHBondContact O-N 3.19Å; V187-S191 PolarHBondContact O-OG 3.39Å; L188-S191 VanDerWaalsContact CA-OG 3.29Å; L188-S191 WeakPolarHBondContact CA-OG 3.22Å; L188-S191 PolarHBondContact O-N 2.88Å; L188-S191 VanDerWaalsContact O-N 3.1Å; L188-S191 PolarHBondContact O-OG 2.78Å; K189-S191 VanDerWaalsContact C-N 3.26Å; K189-S191 PolarHBondContact O-N 2.93Å
192	Q	56.1	Low	78	Confident	136 Å²	136	88.8 Å²	88.8	64%	0.636	47%	0.469	S	S	*	.	S	Bend	trans	-62.2	135.7	171.1	-79.3	176.7	-2.3	0	0	108.4	L188	L188-Q192 PolarHBondContact O-N 3.13Å
193	P	52.2	Low	78	Confident	116 Å²	116	89.3 Å²	89.3	75%	0.753	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-55.5	135.2	171.2	24.3	-31	0	0	0	107.3	E195	P193-E195 PolarHBondContact O-N 3.06Å
194	P	51.5	Low	78.1	Confident	73 Å²	73	88.9 Å²	88.9	47%	0.474	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-50.1	145	175.3	13.5	-24	0	0	0	109.9	D196 S198	P194-D196 PolarHBondContact O-N 3Å; P194-S198 WeakPolarHBondContact CB-OG 3.2Å
195	E	55.5	Low	78.3	Confident	174 Å²	174	88.9 Å²	88.9	81%	0.813	47%	0.467	S	S	*	.			trans	-42.3	139.6	165.6	-68	-178.8	165.5	0	0	108.6	P193 H197 S198	P193-E195 PolarHBondContact O-N 3.06Å; E195-H197 PolarHBondContact O-N 2.69Å; E195-S198 PolarHBondContact O-N 3.29Å
196	D	62.3	Low	78.5	Confident	161 Å²	161	88.1 Å²	88.1	86%	0.861	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-7.5	-168	-90.7	-22.9	0	0	0	115.9	P194	P194-D196 PolarHBondContact O-N 3Å
197	H	67.9	Low	78.7	Confident	156 Å²	156	91.2 Å²	91.2	72%	0.722	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	9.7	-178.8	-55.3	-42.9	0	0	0	115	E195 N224	E195-H197 PolarHBondContact O-N 2.69Å; H197-N224 PolarHBondContact O-ND2 3.03Å
198	S	84.8	Confident	78.9	Confident	48 Å²	48	93.6 Å²	93.6	34%	0.336	48%	0.475	S	S	.	.	S	Bend	trans	-71.3	141.6	176.2	103.2	0	0	0	0	110.7	P194 E195 I200	P194-S198 WeakPolarHBondContact CB-OG 3.2Å; E195-S198 PolarHBondContact O-N 3.29Å; S198-I200 PolarHBondContact O-N 3.04Å
199	P	90.8	Very high	79.3	Confident	62 Å²	62	94.3 Å²	94.3	40%	0.403	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-64.7	131.9	178.9	-18.7	30.7	0	0	0	112.5	S201 N224 S226	P199-S201 PolarHBondContact O-N 3.49Å; P199-N224 CarbonylContact C-O 3.55Å; P199-N224 WeakPolarHBondContact CA-O 3.39Å; P199-S226 WeakPolarHBondContact CB-O 3.4Å; P199-S226 WeakPolarHBondContact CG-OG 3.47Å
200	I	91.8	Very high	79.9	Confident	21 Å²	21	94.2 Å²	94.2	11%	0.108	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-67.7	126.7	173.6	-62.8	170.3	0	0	0	109	S198 E204 F205 F208 L223 N224 F225	S198-I200 PolarHBondContact O-N 3.04Å; I200-E204 HydrophobicContact CG2-CB 3.96Å; I200-F205 HydrophobicContact CG2-CB 3.96Å; I200-F208 HydrophobicContact CG2-CE2 4.38Å; I200-L223 HydrophobicContact CD1-CB 3.86Å; I200-L223 HydrophobicContact CD1-CD1 3.69Å; I200-L223 HydrophobicContact CD1-CD2 4.43Å; I200-L223 HydrophobicContact CD1-CG 4.2Å; I200-N224 WeakPolarHBondContact CG1-O 3.23Å; I200-N224 PolarHBondContact N-O 3.03Å; I200-F225 HydrophobicContact CB-CD1 3.93Å; I200-F225 HydrophobicContact CB-CE1 3.94Å; I200-F225 HydrophobicContact CD1-CD1 4.41Å; I200-F225 HydrophobicContact CD1-CE1 3.82Å; I200-F225 HydrophobicContact CD1-CZ 3.89Å; I200-F225 HydrophobicContact CG1-CE1 4.47Å; I200-F225 HydrophobicContact CG2-CD1 4.32Å; I200-F225 HydrophobicContact CG2-CE1 3.99Å
201	S	92.3	Very high	80.7	Confident	49 Å²	49	92 Å²	92	34%	0.343	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-74	156.6	176.9	71.4	0	0	0	0	112.1	P199 K203 E204 F205	P199-S201 PolarHBondContact O-N 3.49Å; S201-K203 PolarHBondContact O-N 3.45Å; S201-E204 VanDerWaalsContact CB-OE2 3.27Å; S201-E204 WeakPolarHBondContact CB-OE2 3.36Å; S201-E204 PolarHBondContact N-OE2 3.23Å; S201-E204 PolarHBondContact O-N 2.91Å; S201-E204 VanDerWaalsContact OG-CG 3.3Å; S201-E204 WeakPolarHBondContact OG-CG 3.48Å; S201-E204 PolarHBondContact OG-N 2.99Å; S201-E204 PolarHBondContact OG-OE2 2.7Å; S201-F205 PolarHBondContact O-N 2.82Å
202	R	95	Very high	81.7	Confident	80 Å²	80	90.7 Å²	90.7	30%	0.302	47%	0.474	S	S	.	.	H	α-helix	trans	-51.2	-42.7	173	-177.9	176.7	-176.8	90.2	-6	112.2	F205 V206 D229 S231	R202-F205 PolarHBondContact O-N 3.1Å; R202-V206 HydrophobicContact CG-CG2 4.24Å; R202-V206 WeakPolarHBondContact O-CB 3.35Å; R202-V206 VanDerWaalsContact O-CG2 3.23Å; R202-V206 WeakPolarHBondContact O-CG2 3.33Å; R202-V206 PolarHBondContact O-N 2.65Å; R202-D229 VanDerWaalsContact CB-O 3.26Å; R202-D229 WeakPolarHBondContact CB-O 3.43Å; R202-D229 WeakPolarHBondContact CD-O 3.43Å; R202-D229 WeakPolarHBondContact CG-O 3.2Å; R202-D229 PolarHBondContact NH1-O 2.83Å; R202-D229 IonicContact NH1-OD1 3.02Å; R202-D229 PolarHBondContact NH1-OD1 2.97Å; R202-D229 IonicContact NH1-OD2 3.2Å; R202-S231 PolarHBondContact NH1-O 3.44Å; R202-S231 PolarHBondContact NH2-O 3.01Å
203	K	93.3	Very high	83	Confident	140 Å²	140	87.3 Å²	87.3	61%	0.609	47%	0.465	S	S	*	.	H	α-helix	trans	-64.9	-42.9	-177.1	-179.6	178	176.8	-177.9	0	111.7	S201 R207	S201-K203 PolarHBondContact O-N 3.45Å; K203-R207 WeakPolarHBondContact O-CG 3.27Å; K203-R207 PolarHBondContact O-N 2.78Å
204	E	91.5	Very high	84.4	Confident	74 Å²	74	88.8 Å²	88.8	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-45.8	176.5	-70.5	160.3	144.9	0	0	110.6	I200 S201 V206 R207 F208	I200-E204 HydrophobicContact CG2-CB 3.96Å; S201-E204 VanDerWaalsContact CB-OE2 3.27Å; S201-E204 WeakPolarHBondContact CB-OE2 3.36Å; S201-E204 PolarHBondContact N-OE2 3.23Å; S201-E204 PolarHBondContact O-N 2.91Å; S201-E204 VanDerWaalsContact OG-CG 3.3Å; S201-E204 WeakPolarHBondContact OG-CG 3.48Å; S201-E204 PolarHBondContact OG-N 2.99Å; S201-E204 PolarHBondContact OG-OE2 2.7Å; E204-V206 PolarHBondContact O-N 3.21Å; E204-R207 WeakPolarHBondContact O-CB 3.22Å; E204-R207 PolarHBondContact O-N 2.71Å; E204-R207 VanDerWaalsContact O-N 3.09Å; E204-F208 HydrophobicContact CB-CE2 4.39Å; E204-F208 WeakPolarHBondContact O-CD2 3.47Å; E204-F208 PolarHBondContact O-N 3.28Å
205	F	94.6	Very high	85.8	Confident	1 Å²	1	94.5 Å²	94.5	0%	0.004	49%	0.49	C	S	.	.	H	α-helix	trans	-65.1	-40.3	-179.2	-168.8	-123.1	0	0	0	112.9	I200 S201 R202 R207 F208 L209 L218 C220 F225 L230 L233 L235 I238 F240	I200-F205 HydrophobicContact CG2-CB 3.96Å; S201-F205 PolarHBondContact O-N 2.82Å; R202-F205 PolarHBondContact O-N 3.1Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 2.83Å; F205-F208 HydrophobicContact CD2-CD2 4.26Å; F205-F208 WeakPolarHBondContact O-CB 3.4Å; F205-F208 PolarHBondContact O-N 3Å; F205-F208 VanDerWaalsContact O-N 3.07Å; F205-L209 HydrophobicContact CD1-CD1 4.05Å; F205-L209 HydrophobicContact CD1-CG 4.38Å; F205-L209 HydrophobicContact CE1-CD1 3.94Å; F205-L209 HydrophobicContact CE1-CD2 4.27Å; F205-L209 HydrophobicContact CE1-CG 4.17Å; F205-L209 HydrophobicContact CZ-CD2 4.09Å; F205-L209 HydrophobicContact CZ-CG 4.3Å; F205-L209 WeakPolarHBondContact O-CG 3.08Å; F205-L209 PolarHBondContact O-N 3.07Å; F205-L218 HydrophobicContact CE2-CD2 3.94Å; F205-L218 HydrophobicContact CZ-CD2 4.27Å; F205-C220 VanDerWaalsContact CE2-SG 3.55Å; F205-F225 HydrophobicContact CB-CE1 4.3Å; F205-F225 HydrophobicContact CD1-CE1 4.34Å; F205-F225 AromaticContact CD2-CE1 3.48Å; F205-F225 HydrophobicContact CD2-CE1 3.48Å; F205-F225 VanDerWaalsContact CD2-CE1 3.48Å; F205-F225 AromaticContact CD2-CZ 3.89Å; F205-F225 HydrophobicContact CD2-CZ 3.89Å; F205-F225 AromaticContact CE2-CE1 3.82Å; F205-F225 HydrophobicContact CE2-CE1 3.82Å; F205-F225 AromaticContact CE2-CZ 3.8Å; F205-F225 HydrophobicContact CE2-CZ 3.8Å; F205-F225 AromaticContact CG-CE1 3.78Å; F205-F225 HydrophobicContact CG-CE1 3.78Å; F205-F225 HydrophobicContact CZ-CE1 4.34Å; F205-F225 HydrophobicContact CZ-CZ 4.37Å; F205-L230 HydrophobicContact CD1-CD2 3.49Å; F205-L230 VanDerWaalsContact CD1-CD2 3.49Å; F205-L230 HydrophobicContact CE1-CD2 4.03Å; F205-L230 HydrophobicContact CG-CD2 4.3Å; F205-L233 HydrophobicContact CD1-CD1 4.09Å; F205-L233 HydrophobicContact CE1-CD1 4.44Å; F205-L235 HydrophobicContact CE1-CD2 3.56Å; F205-L235 HydrophobicContact CZ-CD2 4.19Å; F205-I238 HydrophobicContact CZ-CD1 4.2Å; F205-F240 HydrophobicContact CE1-CZ 4.21Å; F205-F240 HydrophobicContact CE2-CE1 4.5Å; F205-F240 AromaticContact CZ-CE1 3.88Å; F205-F240 HydrophobicContact CZ-CE1 3.88Å; F205-F240 AromaticContact CZ-CZ 3.74Å; F205-F240 HydrophobicContact CZ-CZ 3.74Å
206	V	94.9	Very high	87.1	Confident	45 Å²	45	89.8 Å²	89.8	27%	0.273	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-37.5	173.2	168.3	0	0	0	0	111.4	R202 E204 L209 L210 L233	R202-V206 HydrophobicContact CG-CG2 4.24Å; R202-V206 WeakPolarHBondContact O-CB 3.35Å; R202-V206 VanDerWaalsContact O-CG2 3.23Å; R202-V206 WeakPolarHBondContact O-CG2 3.33Å; R202-V206 PolarHBondContact O-N 2.65Å; E204-V206 PolarHBondContact O-N 3.21Å; V206-L209 PolarHBondContact O-N 3.07Å; V206-L210 HydrophobicContact CG1-CD1 4.03Å; V206-L210 HydrophobicContact CG1-CG 4.41Å; V206-L210 WeakPolarHBondContact O-CB 3.09Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.26Å; V206-L210 PolarHBondContact O-N 3.05Å; V206-L233 HydrophobicContact CG2-CD1 4.42Å; V206-L233 HydrophobicContact CG2-CD2 3.95Å
207	R	92.5	Very high	88.2	Confident	149 Å²	149	87 Å²	87	56%	0.562	46%	0.457	S	S	*	.	H	α-helix	trans	-63.7	-41.2	173.5	-73.5	172.5	174.2	175.5	-6.8	111.6	K203 E204 F205 L210 A211	K203-R207 WeakPolarHBondContact O-CG 3.27Å; K203-R207 PolarHBondContact O-N 2.78Å; E204-R207 WeakPolarHBondContact O-CB 3.22Å; E204-R207 PolarHBondContact O-N 2.71Å; E204-R207 VanDerWaalsContact O-N 3.09Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 2.83Å; R207-L210 PolarHBondContact O-N 2.91Å; R207-A211 VanDerWaalsContact O-CB 3.24Å; R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.23Å
208	F	90.2	Very high	89.4	Confident	103 Å²	103	81 Å²	81	45%	0.452	43%	0.431	S	S	.	.	H	α-helix	trans	-63.3	-42.2	175.2	-60.4	-39.2	0	0	0	112.2	I200 E204 F205 L210 A211 T212	I200-F208 HydrophobicContact CG2-CE2 4.38Å; E204-F208 HydrophobicContact CB-CE2 4.39Å; E204-F208 WeakPolarHBondContact O-CD2 3.47Å; E204-F208 PolarHBondContact O-N 3.28Å; F205-F208 HydrophobicContact CD2-CD2 4.26Å; F205-F208 WeakPolarHBondContact O-CB 3.4Å; F205-F208 PolarHBondContact O-N 3Å; F205-F208 VanDerWaalsContact O-N 3.07Å; F208-L210 VanDerWaalsContact C-N 3.34Å; F208-L210 PolarHBondContact O-N 2.67Å; F208-A211 PolarHBondContact O-N 3.36Å; F208-T212 WeakPolarHBondContact O-CB 3.18Å; F208-T212 PolarHBondContact O-N 2.62Å; F208-T212 PolarHBondContact O-OG1 2.94Å
209	L	91.3	Very high	89.7	Confident	44 Å²	44	87.3 Å²	87.3	23%	0.23	45%	0.447	C	S	.	.	H	α-helix	trans	-58.9	-45.3	175.1	-69	172.8	0	0	0	111.8	F205 V206 T212 L218 L233 L235 I238	F205-L209 HydrophobicContact CD1-CD1 4.05Å; F205-L209 HydrophobicContact CD1-CG 4.38Å; F205-L209 HydrophobicContact CE1-CD1 3.94Å; F205-L209 HydrophobicContact CE1-CD2 4.27Å; F205-L209 HydrophobicContact CE1-CG 4.17Å; F205-L209 HydrophobicContact CZ-CD2 4.09Å; F205-L209 HydrophobicContact CZ-CG 4.3Å; F205-L209 WeakPolarHBondContact O-CG 3.08Å; F205-L209 PolarHBondContact O-N 3.07Å; V206-L209 PolarHBondContact O-N 3.07Å; L209-T212 PolarHBondContact O-N 2.92Å; L209-L218 HydrophobicContact CD2-CD2 3.65Å; L209-L218 HydrophobicContact CG-CD2 4.38Å; L209-L233 HydrophobicContact CD1-CD1 4.13Å; L209-L233 HydrophobicContact CD1-CD2 4.48Å; L209-L235 HydrophobicContact CD1-CD2 4.09Å; L209-L235 HydrophobicContact CD2-CD2 4.36Å; L209-I238 HydrophobicContact CD2-CD1 3.47Å; L209-I238 VanDerWaalsContact CD2-CD1 3.47Å
210	L	90.3	Very high	89.8	Confident	145 Å²	145	84.4 Å²	84.4	76%	0.759	43%	0.429	S	S	*	.	H	α-helix	trans	-71.5	-31.4	180	-69.5	175.5	0	0	0	113.5	V206 R207 F208	V206-L210 HydrophobicContact CG1-CD1 4.03Å; V206-L210 HydrophobicContact CG1-CG 4.41Å; V206-L210 WeakPolarHBondContact O-CB 3.09Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.26Å; V206-L210 PolarHBondContact O-N 3.05Å; R207-L210 PolarHBondContact O-N 2.91Å; F208-L210 VanDerWaalsContact C-N 3.34Å; F208-L210 PolarHBondContact O-N 2.67Å
211	A	89.6	Confident	89.9	Confident	85 Å²	85	88 Å²	88	70%	0.702	45%	0.445	S	S	*	.	H	α-helix	trans	-80.5	-19.1	178.7	0	0	0	0	0	112.9	R207 F208 S213	R207-A211 VanDerWaalsContact O-CB 3.24Å; R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.23Å; F208-A211 PolarHBondContact O-N 3.36Å; A211-S213 PolarHBondContact O-N 2.82Å
212	T	87.1	Confident	89.9	Confident	42 Å²	42	88.1 Å²	88.1	26%	0.258	45%	0.454	S	S	.	.	S	Bend	trans	-77.6	125.4	-178.3	-57.5	0	0	0	0	110.5	F208 L209 L218	F208-T212 WeakPolarHBondContact O-CB 3.18Å; F208-T212 PolarHBondContact O-N 2.62Å; F208-T212 PolarHBondContact O-OG1 2.94Å; L209-T212 PolarHBondContact O-N 2.92Å; T212-L218 HydrophobicContact CG2-CB 4.15Å
213	S	84.8	Confident	89.8	Confident	65 Å²	65	87.5 Å²	87.5	46%	0.455	46%	0.456	S	S	.	.			trans	-61	142.4	174	176.8	0	0	0	0	111.4	A211 K215 S216	A211-S213 PolarHBondContact O-N 2.82Å; S213-K215 PolarHBondContact O-N 3.3Å; S213-K215 PolarHBondContact OG-N 3.18Å; S213-S216 PolarHBondContact O-N 3.18Å
214	T	81.4	Confident	89.9	Confident	148 Å²	148	82.1 Å²	82.1	91%	0.908	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.1	176	55.7	0	0	0	0	114.1
215	K	80.6	Confident	90.2	Very high	193 Å²	193	78.6 Å²	78.6	84%	0.839	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.9	176.2	-60.7	-176.7	-178.8	179.2	0	113.4	S213	S213-K215 PolarHBondContact O-N 3.3Å; S213-K215 PolarHBondContact OG-N 3.18Å
216	S	82.9	Confident	90.3	Very high	75 Å²	75	80.2 Å²	80.2	52%	0.524	43%	0.429	S	S	.	.	S	Bend	trans	-119.2	138.7	-173.4	-60.8	0	0	0	0	110.4	S213	S213-S216 PolarHBondContact O-N 3.18Å
217	E	85.2	Confident	90.3	Very high	101 Å²	101	80.6 Å²	80.6	47%	0.472	44%	0.442	S	S	.	.			trans	-76.1	124.4	172.2	-174.6	-172.6	-170.3	0	0	109.3	R219 N239	E217-R219 PolarHBondContact O-N 3.35Å; E217-N239 WeakPolarHBondContact OE1-CB 3.26Å
218	L	92.3	Very high	90.5	Very high	31 Å²	31	73.9 Å²	73.9	16%	0.162	42%	0.419	C	S	.	.			trans	-71.7	120.8	171	-176.4	53.8	0	0	0	109.1	F205 L209 T212 I238 N239	F205-L218 HydrophobicContact CE2-CD2 3.94Å; F205-L218 HydrophobicContact CZ-CD2 4.27Å; L209-L218 HydrophobicContact CD2-CD2 3.65Å; L209-L218 HydrophobicContact CG-CD2 4.38Å; T212-L218 HydrophobicContact CG2-CB 4.15Å; L218-I238 HydrophobicContact CB-CG1 4.28Å; L218-I238 HydrophobicContact CB-CG2 4.37Å; L218-I238 HydrophobicContact CD2-CD1 4.2Å; L218-I238 HydrophobicContact CG-CG2 4.44Å; L218-I238 WeakPolarHBondContact O-CG2 3.45Å; L218-N239 PolarHBondContact O-N 3.42Å
219	R	91.8	Very high	90.9	Very high	180 Å²	180	72 Å²	72	68%	0.679	41%	0.413	S	S	*	.	B	Isolated β-bridge	trans	-101.9	114.6	177.8	-66.4	-176.3	-179.7	170.1	1.1	110.1	E217 N239	E217-R219 PolarHBondContact O-N 3.35Å; R219-N239 HydrophobicContact CG-CB 4.48Å
220	C	93.1	Very high	91.2	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.014	40%	0.402	C	S	.	.			trans	-115	26.5	176.6	-60	0	0	0	0	111.6	F205 G222 L223 F225 I238 N239 F240	F205-C220 VanDerWaalsContact CE2-SG 3.55Å; C220-G222 PolarHBondContact O-N 3.09Å; C220-L223 HydrophobicContact CB-CD1 3.94Å; C220-L223 HydrophobicContact CB-CG 4.49Å; C220-L223 PolarHBondContact O-N 3.36Å; C220-F225 HydrophobicContact CB-CE2 3.87Å; C220-F225 HydrophobicContact CB-CZ 3.92Å; C220-I238 HydrophobicContact CB-CG2 4.34Å; C220-N239 CarbonylContact C-O 3.55Å; C220-N239 VanDerWaalsContact C-O 3.25Å; C220-N239 VanDerWaalsContact CA-O 3.27Å; C220-N239 WeakPolarHBondContact CA-O 3.22Å; C220-N239 WeakPolarHBondContact CB-O 3.41Å; C220-N239 PolarHBondContact N-O 3.26Å; C220-F240 HydrophobicContact CB-CD1 3.61Å; C220-F240 HydrophobicContact CB-CE1 3.81Å; C220-F240 HydrophobicContact CB-CG 4.46Å
221	Q	93.5	Very high	91.6	Very high	97 Å²	97	63.6 Å²	63.6	45%	0.453	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	126.7	-175.6	177.7	171.6	11.4	0	0	110.8	L223 N239 K241	Q221-L223 PolarHBondContact O-N 2.9Å; Q221-N239 PolarHBondContact N-O 3.34Å; Q221-K241 CarbonylContact C-O 3.46Å; Q221-K241 WeakPolarHBondContact CA-O 3.29Å; Q221-K241 HydrophobicContact CG-CB 4.15Å; Q221-K241 HydrophobicContact CG-CG 4.44Å; Q221-K241 VanDerWaalsContact CG-O 3.27Å; Q221-K241 WeakPolarHBondContact CG-O 3.29Å
222	G	91.5	Very high	92	Very high	51 Å²	51	68.9 Å²	68.9	53%	0.526	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	1.9	178.4	0	0	0	0	0	115.3	C220 K241 M242	C220-G222 PolarHBondContact O-N 3.09Å; G222-K241 PolarHBondContact N-O 3.43Å; G222-M242 WeakPolarHBondContact CA-O 3.5Å
223	L	93.8	Very high	92.5	Very high	66 Å²	66	67.9 Å²	67.9	35%	0.346	37%	0.365	S	S	.	.			trans	-73.6	149.4	-179.4	-64	-175.4	0	0	0	111.5	I200 C220 Q221 F225 A243 N244	I200-L223 HydrophobicContact CD1-CB 3.86Å; I200-L223 HydrophobicContact CD1-CD1 3.69Å; I200-L223 HydrophobicContact CD1-CD2 4.43Å; I200-L223 HydrophobicContact CD1-CG 4.2Å; C220-L223 HydrophobicContact CB-CD1 3.94Å; C220-L223 HydrophobicContact CB-CG 4.49Å; C220-L223 PolarHBondContact O-N 3.36Å; Q221-L223 PolarHBondContact O-N 2.9Å; L223-F225 HydrophobicContact CB-CD2 4.27Å; L223-F225 HydrophobicContact CB-CE2 3.61Å; L223-F225 HydrophobicContact CB-CZ 4.09Å; L223-F225 HydrophobicContact CD1-CE2 4.42Å; L223-F225 HydrophobicContact CD1-CZ 4.17Å; L223-A243 WeakPolarHBondContact O-CA 3.32Å; L223-N244 PolarHBondContact O-N 3.07Å
224	N	95.4	Very high	93.1	Very high	27 Å²	27	68.6 Å²	68.6	14%	0.144	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-92.3	119.4	175.1	-170.7	12.1	0	0	0	111	H197 P199 I200 S226 N244	H197-N224 PolarHBondContact O-ND2 3.03Å; P199-N224 CarbonylContact C-O 3.55Å; P199-N224 WeakPolarHBondContact CA-O 3.39Å; I200-N224 WeakPolarHBondContact CG1-O 3.23Å; I200-N224 PolarHBondContact N-O 3.03Å; N224-S226 VanDerWaalsContact OD1-CB 3.28Å; N224-S226 WeakPolarHBondContact OD1-CB 3.42Å; N224-S226 PolarHBondContact OD1-N 3.08Å; N224-S226 PolarHBondContact OD1-OG 3.34Å; N224-S226 VanDerWaalsContact OD1-OG 3.1Å; N224-N244 PolarHBondContact OD1-ND2 3.41Å
225	F	96.8	Very high	93.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.			trans	-117.8	11.4	172.3	-64.4	-82.4	0	0	0	111.5	I200 F205 C220 L223 G227 A228 L230 F240 A243 N244 L245 C248	I200-F225 HydrophobicContact CB-CD1 3.93Å; I200-F225 HydrophobicContact CB-CE1 3.94Å; I200-F225 HydrophobicContact CD1-CD1 4.41Å; I200-F225 HydrophobicContact CD1-CE1 3.82Å; I200-F225 HydrophobicContact CD1-CZ 3.89Å; I200-F225 HydrophobicContact CG1-CE1 4.47Å; I200-F225 HydrophobicContact CG2-CD1 4.32Å; I200-F225 HydrophobicContact CG2-CE1 3.99Å; F205-F225 HydrophobicContact CB-CE1 4.3Å; F205-F225 HydrophobicContact CD1-CE1 4.34Å; F205-F225 AromaticContact CD2-CE1 3.48Å; F205-F225 HydrophobicContact CD2-CE1 3.48Å; F205-F225 VanDerWaalsContact CD2-CE1 3.48Å; F205-F225 AromaticContact CD2-CZ 3.89Å; F205-F225 HydrophobicContact CD2-CZ 3.89Å; F205-F225 AromaticContact CE2-CE1 3.82Å; F205-F225 HydrophobicContact CE2-CE1 3.82Å; F205-F225 AromaticContact CE2-CZ 3.8Å; F205-F225 HydrophobicContact CE2-CZ 3.8Å; F205-F225 AromaticContact CG-CE1 3.78Å; F205-F225 HydrophobicContact CG-CE1 3.78Å; F205-F225 HydrophobicContact CZ-CE1 4.34Å; F205-F225 HydrophobicContact CZ-CZ 4.37Å; C220-F225 HydrophobicContact CB-CE2 3.87Å; C220-F225 HydrophobicContact CB-CZ 3.92Å; L223-F225 HydrophobicContact CB-CD2 4.27Å; L223-F225 HydrophobicContact CB-CE2 3.61Å; L223-F225 HydrophobicContact CB-CZ 4.09Å; L223-F225 HydrophobicContact CD1-CE2 4.42Å; L223-F225 HydrophobicContact CD1-CZ 4.17Å; F225-G227 PolarHBondContact O-N 3.5Å; F225-A228 HydrophobicContact CB-CB 4.23Å; F225-A228 WeakPolarHBondContact O-CA 3.47Å; F225-A228 WeakPolarHBondContact O-CB 3.25Å; F225-A228 PolarHBondContact O-N 3.1Å; F225-L230 HydrophobicContact CB-CD1 4.45Å; F225-L230 HydrophobicContact CD1-CD1 4.36Å; F225-L230 HydrophobicContact CG-CD1 4.47Å; F225-F240 HydrophobicContact CD2-CD1 4.45Å; F225-F240 HydrophobicContact CD2-CE1 4.46Å; F225-F240 AromaticContact CE2-CD1 3.91Å; F225-F240 HydrophobicContact CE2-CD1 3.91Å; F225-F240 AromaticContact CE2-CE1 3.86Å; F225-F240 HydrophobicContact CE2-CE1 3.86Å; F225-F240 HydrophobicContact CZ-CD1 4.48Å; F225-F240 HydrophobicContact CZ-CE1 4.01Å; F225-A243 HydrophobicContact CD2-CB 4.35Å; F225-A243 HydrophobicContact CE2-CB 4.45Å; F225-N244 CarbonylContact C-O 3.5Å; F225-N244 WeakPolarHBondContact CA-O 3.38Å; F225-N244 WeakPolarHBondContact CB-O 3.27Å; F225-N244 PolarHBondContact N-O 2.94Å; F225-L245 HydrophobicContact CB-CD2 3.74Å; F225-L245 HydrophobicContact CB-CG 4.48Å; F225-L245 HydrophobicContact CD2-CD2 3.94Å; F225-L245 HydrophobicContact CD2-CG 4.44Å; F225-L245 HydrophobicContact CG-CD2 4Å; F225-C248 PolarHBondContact O-SG 2.67Å
226	S	96.6	Very high	94.5	Very high	35 Å²	35	57.9 Å²	57.9	25%	0.245	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	129.1	-169	65.8	0	0	0	0	112.8	P199 N224 A228 N244 S246	P199-S226 WeakPolarHBondContact CB-O 3.4Å; P199-S226 WeakPolarHBondContact CG-OG 3.47Å; N224-S226 VanDerWaalsContact OD1-CB 3.28Å; N224-S226 WeakPolarHBondContact OD1-CB 3.42Å; N224-S226 PolarHBondContact OD1-N 3.08Å; N224-S226 PolarHBondContact OD1-OG 3.34Å; N224-S226 VanDerWaalsContact OD1-OG 3.1Å; S226-A228 PolarHBondContact O-N 3.22Å; S226-N244 PolarHBondContact N-O 3.31Å; S226-S246 CarbonylContact C-O 3.08Å; S226-S246 VanDerWaalsContact CA-O 3.26Å; S226-S246 WeakPolarHBondContact CA-O 3.23Å; S226-S246 WeakPolarHBondContact CB-OG 2.99Å
227	G	96.5	Very high	95	Very high	54 Å²	54	61 Å²	61	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	3.5	-175.4	0	0	0	0	0	115.9	F225 S246 R247	F225-G227 PolarHBondContact O-N 3.5Å; G227-S246 PolarHBondContact N-O 2.95Å; G227-R247 WeakPolarHBondContact CA-O 3.49Å
228	A	96.9	Very high	95.5	Very high	8 Å²	8	56.6 Å²	56.6	7%	0.066	28%	0.282	C	S	.	.			trans	-69.2	146.5	-179.1	0	0	0	0	0	112	F225 S226 L230 C248 N249	F225-A228 HydrophobicContact CB-CB 4.23Å; F225-A228 WeakPolarHBondContact O-CA 3.47Å; F225-A228 WeakPolarHBondContact O-CB 3.25Å; F225-A228 PolarHBondContact O-N 3.1Å; S226-A228 PolarHBondContact O-N 3.22Å; A228-L230 HydrophobicContact CB-CD2 4.39Å; A228-L230 HydrophobicContact CB-CG 4.29Å; A228-L230 PolarHBondContact O-N 2.94Å; A228-C248 WeakPolarHBondContact O-CA 3.48Å; A228-N249 PolarHBondContact O-N 3.3Å
229	D	98.1	Very high	95.7	Very high	62 Å²	62	55.9 Å²	55.9	33%	0.332	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-87.6	104.6	169	179.5	15.9	0	0	0	110.4	R202 S231 N249	R202-D229 VanDerWaalsContact CB-O 3.26Å; R202-D229 WeakPolarHBondContact CB-O 3.43Å; R202-D229 WeakPolarHBondContact CD-O 3.43Å; R202-D229 WeakPolarHBondContact CG-O 3.2Å; R202-D229 PolarHBondContact NH1-O 2.83Å; R202-D229 IonicContact NH1-OD1 3.02Å; R202-D229 PolarHBondContact NH1-OD1 2.97Å; R202-D229 IonicContact NH1-OD2 3.2Å; D229-S231 WeakPolarHBondContact OD1-CB 3.36Å; D229-S231 PolarHBondContact OD1-N 3.06Å; D229-S231 PolarHBondContact OD1-OG 3.44Å; D229-N249 PolarHBondContact OD1-ND2 2.71Å
230	L	98.1	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.			trans	-111	13.7	176.2	-57.7	-178.2	0	0	0	112	F205 F225 A228 L233 L235 L245 N249 L250	F205-L230 HydrophobicContact CD1-CD2 3.49Å; F205-L230 VanDerWaalsContact CD1-CD2 3.49Å; F205-L230 HydrophobicContact CE1-CD2 4.03Å; F205-L230 HydrophobicContact CG-CD2 4.3Å; F225-L230 HydrophobicContact CB-CD1 4.45Å; F225-L230 HydrophobicContact CD1-CD1 4.36Å; F225-L230 HydrophobicContact CG-CD1 4.47Å; A228-L230 HydrophobicContact CB-CD2 4.39Å; A228-L230 HydrophobicContact CB-CG 4.29Å; A228-L230 PolarHBondContact O-N 2.94Å; L230-L233 HydrophobicContact CB-CD1 4.25Å; L230-L233 HydrophobicContact CD2-CD1 3.96Å; L230-L233 WeakPolarHBondContact O-CB 3.28Å; L230-L233 WeakPolarHBondContact O-CG 3.37Å; L230-L233 PolarHBondContact O-N 3.06Å; L230-L235 HydrophobicContact CB-CD1 4.4Å; L230-L245 HydrophobicContact CD1-CD2 3.67Å; L230-N249 CarbonylContact C-O 3.59Å; L230-N249 VanDerWaalsContact CA-O 3.26Å; L230-N249 WeakPolarHBondContact CA-O 3.43Å; L230-N249 PolarHBondContact N-O 3.49Å; L230-L250 HydrophobicContact CB-CD2 3.53Å; L230-L250 HydrophobicContact CB-CG 4.25Å; L230-L250 HydrophobicContact CD1-CD2 3.91Å; L230-L250 HydrophobicContact CG-CD2 4.35Å
231	S	98.4	Very high	96.1	Very high	14 Å²	14	49.9 Å²	49.9	10%	0.098	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	142.9	-176.6	62.8	0	0	0	0	111.8	R202 D229 L233 N249 T251	R202-S231 PolarHBondContact NH1-O 3.44Å; R202-S231 PolarHBondContact NH2-O 3.01Å; D229-S231 WeakPolarHBondContact OD1-CB 3.36Å; D229-S231 PolarHBondContact OD1-N 3.06Å; D229-S231 PolarHBondContact OD1-OG 3.44Å; S231-L233 PolarHBondContact O-N 3.28Å; S231-N249 PolarHBondContact N-O 3.45Å; S231-T251 CarbonylContact C-O 3.47Å; S231-T251 VanDerWaalsContact CA-O 3.27Å; S231-T251 WeakPolarHBondContact CA-O 3.35Å; S231-T251 WeakPolarHBondContact CB-O 3.1Å; S231-T251 VanDerWaalsContact CB-OG1 3.24Å; S231-T251 WeakPolarHBondContact CB-OG1 3.35Å
232	R	98	Very high	96.2	Very high	195 Å²	195	49.6 Å²	49.6	74%	0.736	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	11.4	176.9	-53.6	174.5	-176.9	179.4	0.3	115.4	T251 H252	R232-T251 PolarHBondContact N-O 3.17Å; R232-H252 HydrophobicContact CG-CB 4.07Å
233	L	97.4	Very high	96.5	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.115	23%	0.232	C	C	.	.			trans	-78	149.5	176.1	-65.6	-179.8	0	0	0	110.7	F205 V206 L209 L230 S231 L235 N254	F205-L233 HydrophobicContact CD1-CD1 4.09Å; F205-L233 HydrophobicContact CE1-CD1 4.44Å; V206-L233 HydrophobicContact CG2-CD1 4.42Å; V206-L233 HydrophobicContact CG2-CD2 3.95Å; L209-L233 HydrophobicContact CD1-CD1 4.13Å; L209-L233 HydrophobicContact CD1-CD2 4.48Å; L230-L233 HydrophobicContact CB-CD1 4.25Å; L230-L233 HydrophobicContact CD2-CD1 3.96Å; L230-L233 WeakPolarHBondContact O-CB 3.28Å; L230-L233 WeakPolarHBondContact O-CG 3.37Å; L230-L233 PolarHBondContact O-N 3.06Å; S231-L233 PolarHBondContact O-N 3.28Å; L233-L235 HydrophobicContact CB-CD1 4.41Å; L233-L235 HydrophobicContact CB-CD2 3.67Å; L233-L235 HydrophobicContact CB-CG 3.88Å; L233-L235 HydrophobicContact CD1-CD2 4.26Å; L233-L235 PolarHBondContact O-N 3.4Å; L233-N254 PolarHBondContact O-N 3.34Å
234	D	96.1	Very high	96.7	Very high	80 Å²	80	46.3 Å²	46.3	43%	0.428	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-84.5	105.5	166.8	-171.8	1	0	0	0	109	R236	D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 VanDerWaalsContact OD1-CG 3.22Å; D234-R236 WeakPolarHBondContact OD1-CG 3.15Å; D234-R236 IonicContact OD1-CZ 3.72Å; D234-R236 PolarHBondContact OD1-N 2.9Å; D234-R236 IonicContact OD1-NE 3.57Å; D234-R236 PolarHBondContact OD1-NE 3.39Å; D234-R236 IonicContact OD1-NH2 3.99Å; D234-R236 IonicContact OD2-CZ 2.81Å; D234-R236 IonicContact OD2-NE 3.76Å; D234-R236 PolarHBondContact OD2-NE 3.46Å; D234-R236 IonicContact OD2-NH2 3.42Å; D234-R236 PolarHBondContact OD2-NH2 2.96Å
235	L	96.5	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.			trans	-115.9	21.7	-174.9	-54	-178	0	0	0	111.8	F205 L209 L230 L233 I238 F240 L250 A253 N254 L255	F205-L235 HydrophobicContact CE1-CD2 3.56Å; F205-L235 HydrophobicContact CZ-CD2 4.19Å; L209-L235 HydrophobicContact CD1-CD2 4.09Å; L209-L235 HydrophobicContact CD2-CD2 4.36Å; L230-L235 HydrophobicContact CB-CD1 4.4Å; L233-L235 HydrophobicContact CB-CD1 4.41Å; L233-L235 HydrophobicContact CB-CD2 3.67Å; L233-L235 HydrophobicContact CB-CG 3.88Å; L233-L235 HydrophobicContact CD1-CD2 4.26Å; L233-L235 PolarHBondContact O-N 3.4Å; L235-I238 HydrophobicContact CB-CD1 4.03Å; L235-I238 HydrophobicContact CD2-CD1 3.84Å; L235-I238 PolarHBondContact O-N 3.34Å; L235-F240 HydrophobicContact CB-CE2 4.23Å; L235-F240 HydrophobicContact CD1-CE2 4.42Å; L235-F240 HydrophobicContact CD1-CZ 4.31Å; L235-F240 HydrophobicContact CD2-CZ 4.44Å; L235-L250 HydrophobicContact CD1-CD2 3.72Å; L235-A253 HydrophobicContact CD1-CB 4.18Å; L235-N254 CarbonylContact C-O 3.32Å; L235-N254 WeakPolarHBondContact CA-O 3.25Å; L235-N254 WeakPolarHBondContact CB-O 3.25Å; L235-N254 PolarHBondContact N-O 3.38Å; L235-L255 HydrophobicContact CB-CD2 3.78Å; L235-L255 HydrophobicContact CB-CG 4.39Å; L235-L255 HydrophobicContact CD1-CD2 3.81Å; L235-L255 HydrophobicContact CD1-CG 4.36Å; L235-L255 HydrophobicContact CG-CD2 4.45Å
236	R	94.8	Very high	96.9	Very high	116 Å²	116	46 Å²	46	44%	0.438	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	138.7	-177.8	-73.1	-179.6	-70.7	167.7	4.6	111.4	D234 I238 N254 C256	D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 VanDerWaalsContact OD1-CG 3.22Å; D234-R236 WeakPolarHBondContact OD1-CG 3.15Å; D234-R236 IonicContact OD1-CZ 3.72Å; D234-R236 PolarHBondContact OD1-N 2.9Å; D234-R236 IonicContact OD1-NE 3.57Å; D234-R236 PolarHBondContact OD1-NE 3.39Å; D234-R236 IonicContact OD1-NH2 3.99Å; D234-R236 IonicContact OD2-CZ 2.81Å; D234-R236 IonicContact OD2-NE 3.76Å; D234-R236 PolarHBondContact OD2-NE 3.46Å; D234-R236 IonicContact OD2-NH2 3.42Å; D234-R236 PolarHBondContact OD2-NH2 2.96Å; R236-I238 PolarHBondContact O-N 3.43Å; R236-N254 VanDerWaalsContact CD-ND2 3.32Å; R236-N254 WeakPolarHBondContact CD-ND2 3.27Å; R236-N254 HydrophobicContact CG-CB 4.39Å; R236-N254 WeakPolarHBondContact CG-OD1 3.3Å; R236-N254 PolarHBondContact N-O 2.92Å; R236-N254 VanDerWaalsContact N-O 3.13Å; R236-C256 VanDerWaalsContact CA-O 3.24Å; R236-C256 WeakPolarHBondContact CA-O 3.41Å; R236-C256 HydrophobicContact CG-CB 3.98Å
237	Y	94.2	Very high	96.9	Very high	141 Å²	141	53.8 Å²	53.8	55%	0.553	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	9.9	176.9	-46.8	-77	0	0	0	115.6	C256 C257	Y237-C256 PolarHBondContact N-O 2.89Å; Y237-C256 VanDerWaalsContact N-O 3.08Å; Y237-C257 HydrophobicContact CD1-CB 3.38Å; Y237-C257 HydrophobicContact CE1-CB 3.3Å; Y237-C257 HydrophobicContact CG-CB 4.33Å
238	I	96.1	Very high	97	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.041	23%	0.225	C	C	.	.			trans	-75.2	140.1	178.1	-60.4	-179.1	0	0	0	110	F205 L209 L218 C220 L235 R236 F240 S258 N259	F205-I238 HydrophobicContact CZ-CD1 4.2Å; L209-I238 HydrophobicContact CD2-CD1 3.47Å; L209-I238 VanDerWaalsContact CD2-CD1 3.47Å; L218-I238 HydrophobicContact CB-CG1 4.28Å; L218-I238 HydrophobicContact CB-CG2 4.37Å; L218-I238 HydrophobicContact CD2-CD1 4.2Å; L218-I238 HydrophobicContact CG-CG2 4.44Å; L218-I238 WeakPolarHBondContact O-CG2 3.45Å; C220-I238 HydrophobicContact CB-CG2 4.34Å; L235-I238 HydrophobicContact CB-CD1 4.03Å; L235-I238 HydrophobicContact CD2-CD1 3.84Å; L235-I238 PolarHBondContact O-N 3.34Å; R236-I238 PolarHBondContact O-N 3.43Å; I238-F240 HydrophobicContact CB-CD2 4.05Å; I238-F240 HydrophobicContact CB-CE2 3.57Å; I238-F240 HydrophobicContact CB-CZ 4.1Å; I238-F240 HydrophobicContact CD1-CE2 4.34Å; I238-F240 HydrophobicContact CD1-CZ 4.25Å; I238-F240 HydrophobicContact CG2-CD1 4.31Å; I238-F240 HydrophobicContact CG2-CD2 3.76Å; I238-F240 HydrophobicContact CG2-CE1 3.97Å; I238-F240 HydrophobicContact CG2-CE2 3.38Å; I238-F240 HydrophobicContact CG2-CG 4.21Å; I238-F240 HydrophobicContact CG2-CZ 3.5Å; I238-F240 PolarHBondContact O-N 3.32Å; I238-S258 WeakPolarHBondContact O-CA 2.91Å; I238-S258 WeakPolarHBondContact O-CB 3.41Å; I238-N259 PolarHBondContact O-N 2.84Å
239	N	96.3	Very high	97.1	Very high	16 Å²	16	53.4 Å²	53.4	9%	0.086	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-92.4	99.3	175.4	-178	-3.9	0	0	0	111.6	E217 L218 R219 C220 Q221 K241	E217-N239 WeakPolarHBondContact OE1-CB 3.26Å; L218-N239 PolarHBondContact O-N 3.42Å; R219-N239 HydrophobicContact CG-CB 4.48Å; C220-N239 CarbonylContact C-O 3.55Å; C220-N239 VanDerWaalsContact C-O 3.25Å; C220-N239 VanDerWaalsContact CA-O 3.27Å; C220-N239 WeakPolarHBondContact CA-O 3.22Å; C220-N239 WeakPolarHBondContact CB-O 3.41Å; C220-N239 PolarHBondContact N-O 3.26Å; Q221-N239 PolarHBondContact N-O 3.34Å; N239-K241 WeakPolarHBondContact OD1-CB 3.35Å; N239-K241 PolarHBondContact OD1-N 2.73Å
240	F	97.6	Very high	97.1	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	22%	0.22	C	C	.	.			trans	-99.8	23.4	172.8	-66.6	-73.3	0	0	0	113.1	F205 C220 F225 L235 I238 M242 A243 L245 L255 N259 L260	F205-F240 HydrophobicContact CE1-CZ 4.21Å; F205-F240 HydrophobicContact CE2-CE1 4.5Å; F205-F240 AromaticContact CZ-CE1 3.88Å; F205-F240 HydrophobicContact CZ-CE1 3.88Å; F205-F240 AromaticContact CZ-CZ 3.74Å; F205-F240 HydrophobicContact CZ-CZ 3.74Å; C220-F240 HydrophobicContact CB-CD1 3.61Å; C220-F240 HydrophobicContact CB-CE1 3.81Å; C220-F240 HydrophobicContact CB-CG 4.46Å; F225-F240 HydrophobicContact CD2-CD1 4.45Å; F225-F240 HydrophobicContact CD2-CE1 4.46Å; F225-F240 AromaticContact CE2-CD1 3.91Å; F225-F240 HydrophobicContact CE2-CD1 3.91Å; F225-F240 AromaticContact CE2-CE1 3.86Å; F225-F240 HydrophobicContact CE2-CE1 3.86Å; F225-F240 HydrophobicContact CZ-CD1 4.48Å; F225-F240 HydrophobicContact CZ-CE1 4.01Å; L235-F240 HydrophobicContact CB-CE2 4.23Å; L235-F240 HydrophobicContact CD1-CE2 4.42Å; L235-F240 HydrophobicContact CD1-CZ 4.31Å; L235-F240 HydrophobicContact CD2-CZ 4.44Å; I238-F240 HydrophobicContact CB-CD2 4.05Å; I238-F240 HydrophobicContact CB-CE2 3.57Å; I238-F240 HydrophobicContact CB-CZ 4.1Å; I238-F240 HydrophobicContact CD1-CE2 4.34Å; I238-F240 HydrophobicContact CD1-CZ 4.25Å; I238-F240 HydrophobicContact CG2-CD1 4.31Å; I238-F240 HydrophobicContact CG2-CD2 3.76Å; I238-F240 HydrophobicContact CG2-CE1 3.97Å; I238-F240 HydrophobicContact CG2-CE2 3.38Å; I238-F240 HydrophobicContact CG2-CG 4.21Å; I238-F240 HydrophobicContact CG2-CZ 3.5Å; I238-F240 PolarHBondContact O-N 3.32Å; F240-M242 PolarHBondContact O-N 3.01Å; F240-A243 HydrophobicContact CB-CB 4.08Å; F240-A243 HydrophobicContact CD1-CB 4.35Å; F240-A243 WeakPolarHBondContact O-CB 3.31Å; F240-A243 PolarHBondContact O-N 3.28Å; F240-L245 HydrophobicContact CB-CD1 4.11Å; F240-L245 HydrophobicContact CD1-CD1 4.31Å; F240-L245 HydrophobicContact CG-CD1 4.25Å; F240-L255 HydrophobicContact CD2-CD2 4.46Å; F240-L255 HydrophobicContact CE2-CD2 4.11Å; F240-N259 CarbonylContact C-O 3.56Å; F240-N259 WeakPolarHBondContact CA-O 3.37Å; F240-N259 WeakPolarHBondContact CB-O 3.33Å; F240-N259 PolarHBondContact N-O 3.17Å; F240-L260 HydrophobicContact CB-CD2 3.56Å; F240-L260 HydrophobicContact CB-CG 4.36Å; F240-L260 HydrophobicContact CD2-CD2 4.2Å; F240-L260 HydrophobicContact CG-CD2 4.14Å
241	K	96.6	Very high	97.2	Very high	55 Å²	55	51.7 Å²	51.7	24%	0.239	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	133.1	179.3	178.7	164.6	-172.7	148.3	0	110.3	Q221 G222 N239 A243 N259 E261	Q221-K241 CarbonylContact C-O 3.46Å; Q221-K241 WeakPolarHBondContact CA-O 3.29Å; Q221-K241 HydrophobicContact CG-CB 4.15Å; Q221-K241 HydrophobicContact CG-CG 4.44Å; Q221-K241 VanDerWaalsContact CG-O 3.27Å; Q221-K241 WeakPolarHBondContact CG-O 3.29Å; G222-K241 PolarHBondContact N-O 3.43Å; N239-K241 WeakPolarHBondContact OD1-CB 3.35Å; N239-K241 PolarHBondContact OD1-N 2.73Å; K241-A243 PolarHBondContact O-N 3.21Å; K241-N259 PolarHBondContact N-O 3.1Å; K241-E261 CarbonylContact C-O 3.6Å; K241-E261 WeakPolarHBondContact CA-O 3.46Å; K241-E261 HydrophobicContact CD-CB 4.41Å; K241-E261 HydrophobicContact CG-CB 4.24Å; K241-E261 WeakPolarHBondContact CG-O 3.41Å; K241-E261 IonicContact NZ-OE2 3.65Å; K241-E261 PolarHBondContact NZ-OE2 3.46Å
242	M	95.1	Very high	97.2	Very high	90 Å²	90	56.6 Å²	56.6	44%	0.443	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	11.3	-179.2	-58.8	165.2	168.2	0	0	115.3	G222 F240 E261 R262	G222-M242 WeakPolarHBondContact CA-O 3.5Å; F240-M242 PolarHBondContact O-N 3.01Å; M242-E261 PolarHBondContact N-O 3.38Å; M242-R262 HydrophobicContact CG-CB 4.13Å
243	A	97.1	Very high	97.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	21%	0.214	C	C	.	.			trans	-70.1	148.3	177.8	0	0	0	0	0	110.7	L223 F225 F240 K241 L245 A263 D264	L223-A243 WeakPolarHBondContact O-CA 3.32Å; F225-A243 HydrophobicContact CD2-CB 4.35Å; F225-A243 HydrophobicContact CE2-CB 4.45Å; F240-A243 HydrophobicContact CB-CB 4.08Å; F240-A243 HydrophobicContact CD1-CB 4.35Å; F240-A243 WeakPolarHBondContact O-CB 3.31Å; F240-A243 PolarHBondContact O-N 3.28Å; K241-A243 PolarHBondContact O-N 3.21Å; A243-L245 HydrophobicContact CB-CD1 4.34Å; A243-L245 HydrophobicContact CB-CG 4.36Å; A243-L245 PolarHBondContact O-N 2.81Å; A243-A263 WeakPolarHBondContact O-CA 3.27Å; A243-D264 PolarHBondContact O-N 3.41Å
244	N	97.7	Very high	97.2	Very high	47 Å²	47	48.3 Å²	48.3	25%	0.251	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-90.1	101.3	169.3	-179.4	-0.6	0	0	0	109	L223 N224 F225 S226 S246	L223-N244 PolarHBondContact O-N 3.07Å; N224-N244 PolarHBondContact OD1-ND2 3.41Å; F225-N244 CarbonylContact C-O 3.5Å; F225-N244 WeakPolarHBondContact CA-O 3.38Å; F225-N244 WeakPolarHBondContact CB-O 3.27Å; F225-N244 PolarHBondContact N-O 2.94Å; S226-N244 PolarHBondContact N-O 3.31Å; N244-S246 VanDerWaalsContact OD1-CB 3.27Å; N244-S246 WeakPolarHBondContact OD1-CB 3.48Å; N244-S246 PolarHBondContact OD1-N 3.36Å; N244-S246 PolarHBondContact OD1-OG 2.82Å
245	L	98.2	Very high	97.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	20%	0.2	C	C	.	.			trans	-108.2	19.9	175.3	-68.6	155.9	0	0	0	111.2	F225 L230 F240 A243 R247 C248 L260 A263 D264 L265	F225-L245 HydrophobicContact CB-CD2 3.74Å; F225-L245 HydrophobicContact CB-CG 4.48Å; F225-L245 HydrophobicContact CD2-CD2 3.94Å; F225-L245 HydrophobicContact CD2-CG 4.44Å; F225-L245 HydrophobicContact CG-CD2 4Å; L230-L245 HydrophobicContact CD1-CD2 3.67Å; F240-L245 HydrophobicContact CB-CD1 4.11Å; F240-L245 HydrophobicContact CD1-CD1 4.31Å; F240-L245 HydrophobicContact CG-CD1 4.25Å; A243-L245 HydrophobicContact CB-CD1 4.34Å; A243-L245 HydrophobicContact CB-CG 4.36Å; A243-L245 PolarHBondContact O-N 2.81Å; L245-R247 PolarHBondContact O-N 3.33Å; L245-C248 VanDerWaalsContact C-SG 3.53Å; L245-C248 VanDerWaalsContact CA-SG 3.51Å; L245-C248 VanDerWaalsContact O-CB 3.25Å; L245-C248 WeakPolarHBondContact O-CB 3.26Å; L245-C248 PolarHBondContact O-N 2.9Å; L245-C248 VanDerWaalsContact O-N 3.14Å; L245-C248 PolarHBondContact O-SG 3.47Å; L245-L260 HydrophobicContact CD1-CD2 3.3Å; L245-A263 HydrophobicContact CD1-CB 4.42Å; L245-D264 CarbonylContact C-O 3.5Å; L245-D264 WeakPolarHBondContact CA-O 3.42Å; L245-D264 WeakPolarHBondContact CB-O 3.37Å; L245-D264 PolarHBondContact N-O 3.44Å; L245-L265 HydrophobicContact CB-CD2 3.61Å; L245-L265 HydrophobicContact CB-CG 4.29Å; L245-L265 HydrophobicContact CD1-CD2 3.91Å; L245-L265 HydrophobicContact CG-CD2 4.39Å
246	S	98.2	Very high	97.3	Very high	18 Å²	18	45.3 Å²	45.3	13%	0.126	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135	-178.2	60.4	0	0	0	0	110.3	S226 G227 N244 C248 D264 S266	S226-S246 CarbonylContact C-O 3.08Å; S226-S246 VanDerWaalsContact CA-O 3.26Å; S226-S246 WeakPolarHBondContact CA-O 3.23Å; S226-S246 WeakPolarHBondContact CB-OG 2.99Å; G227-S246 PolarHBondContact N-O 2.95Å; N244-S246 VanDerWaalsContact OD1-CB 3.27Å; N244-S246 WeakPolarHBondContact OD1-CB 3.48Å; N244-S246 PolarHBondContact OD1-N 3.36Å; N244-S246 PolarHBondContact OD1-OG 2.82Å; S246-C248 PolarHBondContact O-N 3.01Å; S246-D264 PolarHBondContact N-O 3Å; S246-S266 CarbonylContact C-O 3.41Å; S246-S266 WeakPolarHBondContact CA-O 3.07Å; S246-S266 WeakPolarHBondContact CB-OG 3.43Å
247	R	98.2	Very high	97.3	Very high	199 Å²	199	41.3 Å²	41.3	75%	0.751	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	18.2	-179.1	-51.2	178.2	-175.9	174	0.9	114.9	G227 L245 S266 G267	G227-R247 WeakPolarHBondContact CA-O 3.49Å; L245-R247 PolarHBondContact O-N 3.33Å; R247-S266 PolarHBondContact N-O 3.17Å; R247-G267 WeakPolarHBondContact CA-O 3.41Å
248	C	97.9	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.167	C	C	.	.			trans	-65	148.6	173.5	-77.2	0	0	0	0	111.4	F225 A228 L245 S246 L250 A268 N269	F225-C248 PolarHBondContact O-SG 2.67Å; A228-C248 WeakPolarHBondContact O-CA 3.48Å; L245-C248 VanDerWaalsContact C-SG 3.53Å; L245-C248 VanDerWaalsContact CA-SG 3.51Å; L245-C248 VanDerWaalsContact O-CB 3.25Å; L245-C248 WeakPolarHBondContact O-CB 3.26Å; L245-C248 PolarHBondContact O-N 2.9Å; L245-C248 VanDerWaalsContact O-N 3.14Å; L245-C248 PolarHBondContact O-SG 3.47Å; S246-C248 PolarHBondContact O-N 3.01Å; C248-L250 HydrophobicContact CB-CD1 4.27Å; C248-L250 HydrophobicContact CB-CG 4.26Å; C248-A268 CarbonylContact O-C 3.28Å; C248-A268 WeakPolarHBondContact O-CA 3.48Å; C248-N269 PolarHBondContact O-N 3.46Å
249	N	98.7	Very high	97.6	Very high	53 Å²	53	35.4 Å²	35.4	28%	0.283	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-92.7	106.1	163.3	178.4	13.2	0	0	0	109.3	A228 D229 L230 S231 T251	A228-N249 PolarHBondContact O-N 3.3Å; D229-N249 PolarHBondContact OD1-ND2 2.71Å; L230-N249 CarbonylContact C-O 3.59Å; L230-N249 VanDerWaalsContact CA-O 3.26Å; L230-N249 WeakPolarHBondContact CA-O 3.43Å; L230-N249 PolarHBondContact N-O 3.49Å; S231-N249 PolarHBondContact N-O 3.45Å; N249-T251 WeakPolarHBondContact OD1-CB 3.41Å; N249-T251 WeakPolarHBondContact OD1-CG2 3.49Å; N249-T251 PolarHBondContact OD1-N 3.03Å; N249-T251 VanDerWaalsContact OD1-N 3.1Å; N249-T251 PolarHBondContact OD1-OG1 3.31Å
250	L	98.6	Very high	97.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.168	C	C	.	.			trans	-111.6	18.5	176	-74.6	160.2	0	0	0	111.6	L230 L235 C248 H252 A253 L255 L265 N269 M270	L230-L250 HydrophobicContact CB-CD2 3.53Å; L230-L250 HydrophobicContact CB-CG 4.25Å; L230-L250 HydrophobicContact CD1-CD2 3.91Å; L230-L250 HydrophobicContact CG-CD2 4.35Å; L235-L250 HydrophobicContact CD1-CD2 3.72Å; C248-L250 HydrophobicContact CB-CD1 4.27Å; C248-L250 HydrophobicContact CB-CG 4.26Å; L250-H252 PolarHBondContact O-N 3.02Å; L250-A253 HydrophobicContact CB-CB 4.41Å; L250-A253 HydrophobicContact CD2-CB 4.17Å; L250-A253 VanDerWaalsContact O-CB 3.22Å; L250-A253 WeakPolarHBondContact O-CB 3.4Å; L250-A253 PolarHBondContact O-N 3.36Å; L250-L255 HydrophobicContact CD1-CD1 4.44Å; L250-L255 HydrophobicContact CD2-CD1 4.25Å; L250-L265 HydrophobicContact CD1-CD2 3.94Å; L250-N269 CarbonylContact C-O 3.5Å; L250-N269 WeakPolarHBondContact CA-O 3.5Å; L250-N269 PolarHBondContact N-O 3.02Å; L250-M270 HydrophobicContact CB-CB 4.3Å; L250-M270 HydrophobicContact CB-CG 3.99Å; L250-M270 HydrophobicContact CD1-CE 4.21Å; L250-M270 HydrophobicContact CD1-CG 4.06Å; L250-M270 HydrophobicContact CD1-SD 4.43Å
251	T	98.8	Very high	97.7	Very high	25 Å²	25	36.5 Å²	36.5	15%	0.153	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	130	-179.4	50.6	0	0	0	0	111.4	S231 R232 N249 A253 N269 D271	S231-T251 CarbonylContact C-O 3.47Å; S231-T251 VanDerWaalsContact CA-O 3.27Å; S231-T251 WeakPolarHBondContact CA-O 3.35Å; S231-T251 WeakPolarHBondContact CB-O 3.1Å; S231-T251 VanDerWaalsContact CB-OG1 3.24Å; S231-T251 WeakPolarHBondContact CB-OG1 3.35Å; R232-T251 PolarHBondContact N-O 3.17Å; N249-T251 WeakPolarHBondContact OD1-CB 3.41Å; N249-T251 WeakPolarHBondContact OD1-CG2 3.49Å; N249-T251 PolarHBondContact OD1-N 3.03Å; N249-T251 VanDerWaalsContact OD1-N 3.1Å; N249-T251 PolarHBondContact OD1-OG1 3.31Å; T251-A253 PolarHBondContact O-N 3.29Å; T251-N269 HydrophobicContact CG2-CB 4.39Å; T251-N269 VanDerWaalsContact CG2-CG 3.44Å; T251-N269 WeakPolarHBondContact CG2-ND2 3.4Å; T251-N269 VanDerWaalsContact CG2-OD1 3.28Å; T251-N269 WeakPolarHBondContact CG2-OD1 3.46Å; T251-N269 PolarHBondContact N-O 3.38Å; T251-D271 WeakPolarHBondContact CA-O 3.32Å; T251-D271 HydrophobicContact CG2-CB 4.24Å
252	H	98.6	Very high	97.7	Very high	117 Å²	117	41.4 Å²	41.4	54%	0.542	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	18.9	-177.4	-55.4	-65.3	0	0	0	115.4	R232 L250 D271	R232-H252 HydrophobicContact CG-CB 4.07Å; L250-H252 PolarHBondContact O-N 3.02Å; H252-D271 PolarHBondContact N-O 2.93Å
253	A	98.5	Very high	97.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	17%	0.173	C	C	.	.			trans	-70.8	150.2	173.5	0	0	0	0	0	110.3	L235 L250 T251 A273 N274	L235-A253 HydrophobicContact CD1-CB 4.18Å; L250-A253 HydrophobicContact CB-CB 4.41Å; L250-A253 HydrophobicContact CD2-CB 4.17Å; L250-A253 VanDerWaalsContact O-CB 3.22Å; L250-A253 WeakPolarHBondContact O-CB 3.4Å; L250-A253 PolarHBondContact O-N 3.36Å; T251-A253 PolarHBondContact O-N 3.29Å; A253-A273 WeakPolarHBondContact O-CA 3.36Å; A253-A273 WeakPolarHBondContact O-CB 3.18Å; A253-N274 PolarHBondContact O-N 2.9Å
254	N	98.2	Very high	97.9	Very high	42 Å²	42	39.5 Å²	39.5	23%	0.225	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-97.5	97.1	174.7	-170.4	-4.1	0	0	0	110	L233 L235 R236 C256 N274	L233-N254 PolarHBondContact O-N 3.34Å; L235-N254 CarbonylContact C-O 3.32Å; L235-N254 WeakPolarHBondContact CA-O 3.25Å; L235-N254 WeakPolarHBondContact CB-O 3.25Å; L235-N254 PolarHBondContact N-O 3.38Å; R236-N254 VanDerWaalsContact CD-ND2 3.32Å; R236-N254 WeakPolarHBondContact CD-ND2 3.27Å; R236-N254 HydrophobicContact CG-CB 4.39Å; R236-N254 WeakPolarHBondContact CG-OD1 3.3Å; R236-N254 PolarHBondContact N-O 2.92Å; R236-N254 VanDerWaalsContact N-O 3.13Å; N254-C256 VanDerWaalsContact OD1-CB 3.26Å; N254-C256 WeakPolarHBondContact OD1-CB 3.42Å; N254-C256 PolarHBondContact OD1-N 3.08Å; N254-N274 PolarHBondContact OD1-ND2 3.48Å
255	L	97.7	Very high	98	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.173	C	C	.	.			trans	-100	17.5	179.9	-75.2	162.5	0	0	0	112.2	L235 F240 L250 C257 S258 M270 N274 L275	L235-L255 HydrophobicContact CB-CD2 3.78Å; L235-L255 HydrophobicContact CB-CG 4.39Å; L235-L255 HydrophobicContact CD1-CD2 3.81Å; L235-L255 HydrophobicContact CD1-CG 4.36Å; L235-L255 HydrophobicContact CG-CD2 4.45Å; F240-L255 HydrophobicContact CD2-CD2 4.46Å; F240-L255 HydrophobicContact CE2-CD2 4.11Å; L250-L255 HydrophobicContact CD1-CD1 4.44Å; L250-L255 HydrophobicContact CD2-CD1 4.25Å; L255-C257 PolarHBondContact O-N 3.01Å; L255-S258 VanDerWaalsContact O-CB 3.25Å; L255-S258 WeakPolarHBondContact O-CB 3.49Å; L255-S258 PolarHBondContact O-N 3.27Å; L255-S258 PolarHBondContact O-OG 3.49Å; L255-M270 HydrophobicContact CD1-CE 3.38Å; L255-N274 CarbonylContact C-O 3.09Å; L255-N274 VanDerWaalsContact C-O 3.31Å; L255-N274 VanDerWaalsContact CA-O 3.29Å; L255-N274 WeakPolarHBondContact CA-O 3.26Å; L255-N274 WeakPolarHBondContact CB-O 3.3Å; L255-N274 PolarHBondContact N-O 2.78Å; L255-L275 HydrophobicContact CB-CD2 3.72Å; L255-L275 HydrophobicContact CD1-CD2 3.73Å; L255-L275 HydrophobicContact CG-CD2 4.41Å
256	C	96.2	Very high	98	Very high	15 Å²	15	38.7 Å²	38.7	10%	0.101	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	129.8	-177.8	169.3	0	0	0	0	111.2	R236 Y237 N254 S258 N274 Q276	R236-C256 VanDerWaalsContact CA-O 3.24Å; R236-C256 WeakPolarHBondContact CA-O 3.41Å; R236-C256 HydrophobicContact CG-CB 3.98Å; Y237-C256 PolarHBondContact N-O 2.89Å; Y237-C256 VanDerWaalsContact N-O 3.08Å; N254-C256 VanDerWaalsContact OD1-CB 3.26Å; N254-C256 WeakPolarHBondContact OD1-CB 3.42Å; N254-C256 PolarHBondContact OD1-N 3.08Å; C256-S258 PolarHBondContact O-N 2.87Å; C256-N274 PolarHBondContact N-O 3.24Å; C256-Q276 CarbonylContact C-O 3.59Å; C256-Q276 VanDerWaalsContact CA-O 3.25Å; C256-Q276 WeakPolarHBondContact CA-O 3.41Å; C256-Q276 HydrophobicContact CB-CB 4.1Å
257	C	95.6	Very high	98	Very high	32 Å²	32	39.7 Å²	39.7	22%	0.216	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	17.6	-176.6	-63.4	0	0	0	0	115.3	Y237 L255 Q276	Y237-C257 HydrophobicContact CD1-CB 3.38Å; Y237-C257 HydrophobicContact CE1-CB 3.3Å; Y237-C257 HydrophobicContact CG-CB 4.33Å; L255-C257 PolarHBondContact O-N 3.01Å; C257-Q276 PolarHBondContact N-O 2.82Å
258	S	97.2	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.			trans	-72.8	155.5	174.2	66.1	0	0	0	0	111.7	I238 L255 C256 V278 K279	I238-S258 WeakPolarHBondContact O-CA 2.91Å; I238-S258 WeakPolarHBondContact O-CB 3.41Å; L255-S258 VanDerWaalsContact O-CB 3.25Å; L255-S258 WeakPolarHBondContact O-CB 3.49Å; L255-S258 PolarHBondContact O-N 3.27Å; L255-S258 PolarHBondContact O-OG 3.49Å; C256-S258 PolarHBondContact O-N 2.87Å; S258-V278 WeakPolarHBondContact OG-CG2 3.47Å; S258-K279 PolarHBondContact O-N 3.04Å
259	N	97.9	Very high	98.1	Very high	24 Å²	24	33 Å²	33	13%	0.128	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-106.1	105.9	177.6	-174	-9.8	0	0	0	110.5	I238 F240 K241 E261	I238-N259 PolarHBondContact O-N 2.84Å; F240-N259 CarbonylContact C-O 3.56Å; F240-N259 WeakPolarHBondContact CA-O 3.37Å; F240-N259 WeakPolarHBondContact CB-O 3.33Å; F240-N259 PolarHBondContact N-O 3.17Å; K241-N259 PolarHBondContact N-O 3.1Å; N259-E261 VanDerWaalsContact OD1-CB 3.23Å; N259-E261 WeakPolarHBondContact OD1-CB 3.17Å; N259-E261 WeakPolarHBondContact OD1-CG 3.46Å; N259-E261 PolarHBondContact OD1-N 2.74Å
260	L	98.3	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.			trans	-110.8	22.5	176.9	-70.3	162.6	0	0	0	111.6	F240 L245 R262 A263 L265 V278 K279 M280	F240-L260 HydrophobicContact CB-CD2 3.56Å; F240-L260 HydrophobicContact CB-CG 4.36Å; F240-L260 HydrophobicContact CD2-CD2 4.2Å; F240-L260 HydrophobicContact CG-CD2 4.14Å; L245-L260 HydrophobicContact CD1-CD2 3.3Å; L260-R262 PolarHBondContact O-N 2.97Å; L260-A263 HydrophobicContact CB-CB 4.23Å; L260-A263 HydrophobicContact CD2-CB 4.08Å; L260-A263 VanDerWaalsContact O-CB 3.32Å; L260-A263 WeakPolarHBondContact O-CB 3.23Å; L260-A263 PolarHBondContact O-N 2.66Å; L260-L265 HydrophobicContact CD1-CD1 4.32Å; L260-L265 HydrophobicContact CD2-CD1 4.41Å; L260-V278 HydrophobicContact CD1-CG2 3.78Å; L260-K279 CarbonylContact C-O 3.49Å; L260-K279 VanDerWaalsContact C-O 3.28Å; L260-K279 VanDerWaalsContact CA-O 3.27Å; L260-K279 WeakPolarHBondContact CA-O 3.27Å; L260-K279 WeakPolarHBondContact CB-O 3.35Å; L260-K279 PolarHBondContact N-O 3.08Å; L260-M280 HydrophobicContact CB-CG 3.86Å; L260-M280 HydrophobicContact CD1-CG 4.08Å; L260-M280 HydrophobicContact CD1-SD 4.37Å
261	E	98.1	Very high	98.1	Very high	40 Å²	40	32.4 Å²	32.4	19%	0.187	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	125.9	177.4	-73.1	176.7	-170.7	0	0	110.5	K241 M242 N259 A263 K279 L281	K241-E261 CarbonylContact C-O 3.6Å; K241-E261 WeakPolarHBondContact CA-O 3.46Å; K241-E261 HydrophobicContact CD-CB 4.41Å; K241-E261 HydrophobicContact CG-CB 4.24Å; K241-E261 WeakPolarHBondContact CG-O 3.41Å; K241-E261 IonicContact NZ-OE2 3.65Å; K241-E261 PolarHBondContact NZ-OE2 3.46Å; M242-E261 PolarHBondContact N-O 3.38Å; N259-E261 VanDerWaalsContact OD1-CB 3.23Å; N259-E261 WeakPolarHBondContact OD1-CB 3.17Å; N259-E261 WeakPolarHBondContact OD1-CG 3.46Å; N259-E261 PolarHBondContact OD1-N 2.74Å; E261-A263 PolarHBondContact O-N 3.26Å; E261-K279 HydrophobicContact CG-CB 4.25Å; E261-K279 PolarHBondContact N-O 3.16Å; E261-L281 WeakPolarHBondContact CA-O 3.32Å; E261-L281 HydrophobicContact CG-CB 3.99Å
262	R	97	Very high	98.1	Very high	159 Å²	159	32.5 Å²	32.5	60%	0.6	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	18.4	-179.2	-54	179.6	175.2	-161.5	-2.8	114.9	M242 L260 L281 C282	M242-R262 HydrophobicContact CG-CB 4.13Å; L260-R262 PolarHBondContact O-N 2.97Å; R262-L281 PolarHBondContact N-O 3.13Å; R262-C282 WeakPolarHBondContact CA-O 3.07Å; R262-C282 HydrophobicContact CG-CB 4.12Å
263	A	98.3	Very high	98.1	Very high	1 Å²	1	27 Å²	27	1%	0.008	15%	0.153	C	C	.	.			trans	-70.3	151	173.1	0	0	0	0	0	110.7	A243 L245 L260 E261 C283 N284	A243-A263 WeakPolarHBondContact O-CA 3.27Å; L245-A263 HydrophobicContact CD1-CB 4.42Å; L260-A263 HydrophobicContact CB-CB 4.23Å; L260-A263 HydrophobicContact CD2-CB 4.08Å; L260-A263 VanDerWaalsContact O-CB 3.32Å; L260-A263 WeakPolarHBondContact O-CB 3.23Å; L260-A263 PolarHBondContact O-N 2.66Å; E261-A263 PolarHBondContact O-N 3.26Å; A263-C283 WeakPolarHBondContact O-CA 3.45Å; A263-C283 WeakPolarHBondContact O-CB 3.27Å; A263-N284 PolarHBondContact O-N 3.21Å
264	D	98.5	Very high	98	Very high	49 Å²	49	28.7 Å²	28.7	26%	0.262	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-95.3	106.9	169.7	-175.1	11.2	0	0	0	109.6	A243 L245 S246 S266 N284	A243-D264 PolarHBondContact O-N 3.41Å; L245-D264 CarbonylContact C-O 3.5Å; L245-D264 WeakPolarHBondContact CA-O 3.42Å; L245-D264 WeakPolarHBondContact CB-O 3.37Å; L245-D264 PolarHBondContact N-O 3.44Å; S246-D264 PolarHBondContact N-O 3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.18Å; D264-S266 PolarHBondContact OD1-N 3.37Å; D264-S266 PolarHBondContact OD1-OG 2.98Å; D264-S266 PolarHBondContact OD2-OG 2.67Å; D264-N284 PolarHBondContact OD1-ND2 3.39Å
265	L	98.6	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.			trans	-108.3	17.3	175.9	-70.9	157.8	0	0	0	111.3	L245 L250 L260 G267 A268 M270 M280 N284 A285	L245-L265 HydrophobicContact CB-CD2 3.61Å; L245-L265 HydrophobicContact CB-CG 4.29Å; L245-L265 HydrophobicContact CD1-CD2 3.91Å; L245-L265 HydrophobicContact CG-CD2 4.39Å; L250-L265 HydrophobicContact CD1-CD2 3.94Å; L260-L265 HydrophobicContact CD1-CD1 4.32Å; L260-L265 HydrophobicContact CD2-CD1 4.41Å; L265-G267 PolarHBondContact O-N 2.97Å; L265-A268 HydrophobicContact CB-CB 4.32Å; L265-A268 HydrophobicContact CD2-CB 4.25Å; L265-A268 WeakPolarHBondContact O-CB 3.22Å; L265-A268 PolarHBondContact O-N 3.47Å; L265-M270 HydrophobicContact CD1-SD 4.44Å; L265-M270 HydrophobicContact CD2-SD 4.08Å; L265-M280 HydrophobicContact CD1-CE 3.5Å; L265-N284 CarbonylContact C-O 3.22Å; L265-N284 VanDerWaalsContact C-O 3.3Å; L265-N284 VanDerWaalsContact CA-O 3.27Å; L265-N284 WeakPolarHBondContact CA-O 3.5Å; L265-N284 WeakPolarHBondContact CB-O 3.13Å; L265-N284 PolarHBondContact N-O 3.28Å; L265-A285 HydrophobicContact CB-CB 4.08Å
266	S	98.6	Very high	98	Very high	32 Å²	32	28.3 Å²	28.3	22%	0.224	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.9	-176.7	53.9	0	0	0	0	111.8	S246 R247 D264 A268 N284 E286	S246-S266 CarbonylContact C-O 3.41Å; S246-S266 WeakPolarHBondContact CA-O 3.07Å; S246-S266 WeakPolarHBondContact CB-OG 3.43Å; R247-S266 PolarHBondContact N-O 3.17Å; D264-S266 WeakPolarHBondContact OD1-CB 3.18Å; D264-S266 PolarHBondContact OD1-N 3.37Å; D264-S266 PolarHBondContact OD1-OG 2.98Å; D264-S266 PolarHBondContact OD2-OG 2.67Å; S266-A268 PolarHBondContact O-N 3.04Å; S266-A268 VanDerWaalsContact O-N 3.14Å; S266-N284 PolarHBondContact N-O 2.94Å; S266-N284 VanDerWaalsContact N-O 3.16Å; S266-E286 WeakPolarHBondContact CA-O 3.27Å
267	G	98.5	Very high	98	Very high	40 Å²	40	28.1 Å²	28.1	41%	0.412	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	14.4	-176.4	0	0	0	0	0	115.7	R247 L265 E286	R247-G267 WeakPolarHBondContact CA-O 3.41Å; L265-G267 PolarHBondContact O-N 2.97Å; G267-E286 PolarHBondContact N-O 3.46Å
268	A	98.6	Very high	98.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.149	C	C	.	.			trans	-67.1	148.3	174.6	0	0	0	0	0	111	C248 L265 S266 M270 A288 S289	C248-A268 CarbonylContact O-C 3.28Å; C248-A268 WeakPolarHBondContact O-CA 3.48Å; L265-A268 HydrophobicContact CB-CB 4.32Å; L265-A268 HydrophobicContact CD2-CB 4.25Å; L265-A268 WeakPolarHBondContact O-CB 3.22Å; L265-A268 PolarHBondContact O-N 3.47Å; S266-A268 PolarHBondContact O-N 3.04Å; S266-A268 VanDerWaalsContact O-N 3.14Å; A268-M270 HydrophobicContact CB-CG 4.4Å; A268-A288 CarbonylContact O-C 3.51Å; A268-A288 VanDerWaalsContact O-CA 3.26Å; A268-A288 WeakPolarHBondContact O-CA 3.09Å; A268-A288 WeakPolarHBondContact O-CB 3.3Å; A268-S289 PolarHBondContact O-N 3.12Å
269	N	98.8	Very high	98.1	Very high	58 Å²	58	31.7 Å²	31.7	31%	0.31	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-104.1	109.3	171.4	-177.5	-5.6	0	0	0	109.6	C248 L250 T251 D271	C248-N269 PolarHBondContact O-N 3.46Å; L250-N269 CarbonylContact C-O 3.5Å; L250-N269 WeakPolarHBondContact CA-O 3.5Å; L250-N269 PolarHBondContact N-O 3.02Å; T251-N269 HydrophobicContact CG2-CB 4.39Å; T251-N269 VanDerWaalsContact CG2-CG 3.44Å; T251-N269 WeakPolarHBondContact CG2-ND2 3.4Å; T251-N269 VanDerWaalsContact CG2-OD1 3.28Å; T251-N269 WeakPolarHBondContact CG2-OD1 3.46Å; T251-N269 PolarHBondContact N-O 3.38Å; N269-D271 WeakPolarHBondContact OD1-CB 3.24Å; N269-D271 PolarHBondContact OD1-N 3.1Å; N269-D271 PolarHBondContact OD1-OD1 2.93Å; N269-D271 PolarHBondContact OD1-OD2 3.48Å
270	M	98.6	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.			trans	-114.6	20.4	-179.7	-46.8	179.4	64.5	0	0	111.9	L250 L255 L265 A268 G272 A273 L275 S289 L290 C293	L250-M270 HydrophobicContact CB-CB 4.3Å; L250-M270 HydrophobicContact CB-CG 3.99Å; L250-M270 HydrophobicContact CD1-CE 4.21Å; L250-M270 HydrophobicContact CD1-CG 4.06Å; L250-M270 HydrophobicContact CD1-SD 4.43Å; L255-M270 HydrophobicContact CD1-CE 3.38Å; L265-M270 HydrophobicContact CD1-SD 4.44Å; L265-M270 HydrophobicContact CD2-SD 4.08Å; A268-M270 HydrophobicContact CB-CG 4.4Å; M270-G272 PolarHBondContact O-N 2.98Å; M270-A273 HydrophobicContact CB-CB 4.25Å; M270-A273 WeakPolarHBondContact O-CB 3.36Å; M270-A273 PolarHBondContact O-N 3.02Å; M270-L275 HydrophobicContact CE-CD1 4.06Å; M270-L275 HydrophobicContact CE-CD2 3.66Å; M270-L275 HydrophobicContact CE-CG 4.4Å; M270-S289 WeakPolarHBondContact CA-O 3.44Å; M270-S289 WeakPolarHBondContact CB-O 3.42Å; M270-S289 PolarHBondContact N-O 3.38Å; M270-L290 HydrophobicContact CB-CG 4.18Å; M270-L290 HydrophobicContact CG-CG 4.49Å; M270-L290 HydrophobicContact SD-CD2 4.1Å; M270-L290 HydrophobicContact SD-CG 4.15Å; M270-C293 PolarHBondContact O-SG 3.34Å
271	D	98.8	Very high	98.1	Very high	42 Å²	42	33 Å²	33	23%	0.225	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.7	-174.5	-67.4	-12	0	0	0	112	T251 H252 N269 A273 S289 L290 K291	T251-D271 WeakPolarHBondContact CA-O 3.32Å; T251-D271 HydrophobicContact CG2-CB 4.24Å; H252-D271 PolarHBondContact N-O 2.93Å; N269-D271 WeakPolarHBondContact OD1-CB 3.24Å; N269-D271 PolarHBondContact OD1-N 3.1Å; N269-D271 PolarHBondContact OD1-OD1 2.93Å; N269-D271 PolarHBondContact OD1-OD2 3.48Å; D271-A273 PolarHBondContact O-N 3.38Å; D271-S289 VanDerWaalsContact OD1-CB 3.25Å; D271-S289 WeakPolarHBondContact OD1-CB 3.21Å; D271-S289 PolarHBondContact OD1-OG 2.74Å; D271-S289 PolarHBondContact OD2-OG 2.79Å; D271-L290 PolarHBondContact OD1-N 3.19Å; D271-K291 CarbonylContact C-O 3.59Å; D271-K291 WeakPolarHBondContact CA-O 3.4Å; D271-K291 HydrophobicContact CB-CB 4.42Å; D271-K291 WeakPolarHBondContact OD1-CB 3.49Å; D271-K291 PolarHBondContact OD1-N 3.35Å
272	G	98.5	Very high	98.1	Very high	28 Å²	28	34.1 Å²	34.1	29%	0.289	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	16.6	-179	0	0	0	0	0	114.9	M270 K291	M270-G272 PolarHBondContact O-N 2.98Å; G272-K291 PolarHBondContact N-O 3.26Å
273	A	98.6	Very high	98.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	16%	0.162	C	C	.	.			trans	-70.1	150.5	175.9	0	0	0	0	0	111.9	A253 M270 D271 L275 N294	A253-A273 WeakPolarHBondContact O-CA 3.36Å; A253-A273 WeakPolarHBondContact O-CB 3.18Å; M270-A273 HydrophobicContact CB-CB 4.25Å; M270-A273 WeakPolarHBondContact O-CB 3.36Å; M270-A273 PolarHBondContact O-N 3.02Å; D271-A273 PolarHBondContact O-N 3.38Å; A273-L275 HydrophobicContact CB-CG 4.47Å; A273-N294 PolarHBondContact O-N 3.35Å
274	N	98.3	Very high	98.2	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.193	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-90.1	114	170.4	-175.2	8	0	0	0	109.9	A253 N254 L255 C256 Q276 N294	A253-N274 PolarHBondContact O-N 2.9Å; N254-N274 PolarHBondContact OD1-ND2 3.48Å; L255-N274 CarbonylContact C-O 3.09Å; L255-N274 VanDerWaalsContact C-O 3.31Å; L255-N274 VanDerWaalsContact CA-O 3.29Å; L255-N274 WeakPolarHBondContact CA-O 3.26Å; L255-N274 WeakPolarHBondContact CB-O 3.3Å; L255-N274 PolarHBondContact N-O 2.78Å; C256-N274 PolarHBondContact N-O 3.24Å; N274-Q276 PolarHBondContact ND2-OE1 3.05Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.39Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.48Å; N274-Q276 PolarHBondContact OD1-N 3.49Å; N274-Q276 PolarHBondContact OD1-OE1 3.08Å; N274-N294 PolarHBondContact OD1-O 3.21Å
275	L	97.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.			trans	-118.3	20.5	-176	-69.3	166.5	0	0	0	112.5	L255 M270 A273 G277 V278 L290 C293 N294 F295	L255-L275 HydrophobicContact CB-CD2 3.72Å; L255-L275 HydrophobicContact CD1-CD2 3.73Å; L255-L275 HydrophobicContact CG-CD2 4.41Å; M270-L275 HydrophobicContact CE-CD1 4.06Å; M270-L275 HydrophobicContact CE-CD2 3.66Å; M270-L275 HydrophobicContact CE-CG 4.4Å; A273-L275 HydrophobicContact CB-CG 4.47Å; L275-G277 PolarHBondContact O-N 3.32Å; L275-V278 HydrophobicContact CB-CB 4.37Å; L275-V278 HydrophobicContact CB-CG1 3.97Å; L275-V278 HydrophobicContact CD2-CB 4.24Å; L275-V278 HydrophobicContact CD2-CG1 4.14Å; L275-V278 HydrophobicContact CD2-CG2 4.08Å; L275-V278 WeakPolarHBondContact O-CB 3.42Å; L275-V278 VanDerWaalsContact O-CG1 3.23Å; L275-V278 WeakPolarHBondContact O-CG1 3.47Å; L275-V278 PolarHBondContact O-N 2.93Å; L275-V278 VanDerWaalsContact O-N 3.15Å; L275-L290 HydrophobicContact CD1-CD2 3.87Å; L275-C293 HydrophobicContact CD1-CB 4.02Å; L275-N294 CarbonylContact C-O 3.54Å; L275-N294 WeakPolarHBondContact CA-O 3.46Å; L275-N294 PolarHBondContact N-O 3.35Å; L275-F295 HydrophobicContact CB-CD1 3.51Å; L275-F295 HydrophobicContact CB-CE1 3.6Å; L275-F295 HydrophobicContact CB-CG 4.07Å; L275-F295 HydrophobicContact CB-CZ 4.2Å; L275-F295 HydrophobicContact CD1-CD1 4.26Å; L275-F295 HydrophobicContact CD1-CE1 3.49Å; L275-F295 VanDerWaalsContact CD1-CE1 3.49Å; L275-F295 HydrophobicContact CD1-CE2 4.02Å; L275-F295 HydrophobicContact CD1-CZ 3.36Å; L275-F295 HydrophobicContact CG-CE1 4.12Å; L275-F295 HydrophobicContact CG-CZ 4.4Å
276	Q	97.3	Very high	98.2	Very high	37 Å²	37	30 Å²	30	17%	0.173	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	126.9	173.3	-77.4	169.7	-5.6	0	0	111.9	C256 C257 N274 V278 N294 E296 D297	C256-Q276 CarbonylContact C-O 3.59Å; C256-Q276 VanDerWaalsContact CA-O 3.25Å; C256-Q276 WeakPolarHBondContact CA-O 3.41Å; C256-Q276 HydrophobicContact CB-CB 4.1Å; C257-Q276 PolarHBondContact N-O 2.82Å; N274-Q276 PolarHBondContact ND2-OE1 3.05Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.39Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.48Å; N274-Q276 PolarHBondContact OD1-N 3.49Å; N274-Q276 PolarHBondContact OD1-OE1 3.08Å; Q276-V278 PolarHBondContact O-N 3.39Å; Q276-N294 PolarHBondContact N-O 3.36Å; Q276-N294 PolarHBondContact NE2-ND2 3.44Å; Q276-N294 VanDerWaalsContact NE2-ND2 3.14Å; Q276-E296 VanDerWaalsContact CG-O 3.23Å; Q276-E296 WeakPolarHBondContact CG-O 3.38Å; Q276-E296 PolarHBondContact NE2-O 3.29Å; Q276-D297 HydrophobicContact CB-CB 4.16Å; Q276-D297 HydrophobicContact CG-CB 4.24Å
277	G	96.1	Very high	98.2	Very high	10 Å²	10	30.5 Å²	30.5	10%	0.103	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	16.1	177.8	0	0	0	0	0	115.6	L275 L301	L275-G277 PolarHBondContact O-N 3.32Å; G277-L301 PolarHBondContact N-O 2.89Å
278	V	97.6	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	-65.8	143	-177.8	75.1	0	0	0	0	111.7	S258 L260 L275 Q276 M280 F295 A303 N304	S258-V278 WeakPolarHBondContact OG-CG2 3.47Å; L260-V278 HydrophobicContact CD1-CG2 3.78Å; L275-V278 HydrophobicContact CB-CB 4.37Å; L275-V278 HydrophobicContact CB-CG1 3.97Å; L275-V278 HydrophobicContact CD2-CB 4.24Å; L275-V278 HydrophobicContact CD2-CG1 4.14Å; L275-V278 HydrophobicContact CD2-CG2 4.08Å; L275-V278 WeakPolarHBondContact O-CB 3.42Å; L275-V278 VanDerWaalsContact O-CG1 3.23Å; L275-V278 WeakPolarHBondContact O-CG1 3.47Å; L275-V278 PolarHBondContact O-N 2.93Å; L275-V278 VanDerWaalsContact O-N 3.15Å; Q276-V278 PolarHBondContact O-N 3.39Å; V278-M280 HydrophobicContact CG1-CG 3.91Å; V278-M280 HydrophobicContact CG1-SD 3.74Å; V278-M280 HydrophobicContact CG2-CG 3.9Å; V278-M280 HydrophobicContact CG2-SD 4.28Å; V278-F295 HydrophobicContact CG1-CD1 4.2Å; V278-F295 HydrophobicContact CG1-CE1 4.25Å; V278-A303 HydrophobicContact CG1-CB 3.89Å; V278-A303 WeakPolarHBondContact O-CA 3.37Å; V278-N304 PolarHBondContact O-N 2.86Å
279	K	98.1	Very high	98.2	Very high	107 Å²	107	29.8 Å²	29.8	47%	0.465	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-103	111	173.1	-60.9	176.1	-177.4	175.6	0	109.6	S258 L260 E261	S258-K279 PolarHBondContact O-N 3.04Å; L260-K279 CarbonylContact C-O 3.49Å; L260-K279 VanDerWaalsContact C-O 3.28Å; L260-K279 VanDerWaalsContact CA-O 3.27Å; L260-K279 WeakPolarHBondContact CA-O 3.27Å; L260-K279 WeakPolarHBondContact CB-O 3.35Å; L260-K279 PolarHBondContact N-O 3.08Å; E261-K279 HydrophobicContact CG-CB 4.25Å; E261-K279 PolarHBondContact N-O 3.16Å
280	M	98.1	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.			trans	-126.8	27.3	-176.5	-71.2	-178.9	74.7	0	0	111.6	L260 L265 V278 C282 C283 N304 L305	L260-M280 HydrophobicContact CB-CG 3.86Å; L260-M280 HydrophobicContact CD1-CG 4.08Å; L260-M280 HydrophobicContact CD1-SD 4.37Å; L265-M280 HydrophobicContact CD1-CE 3.5Å; V278-M280 HydrophobicContact CG1-CG 3.91Å; V278-M280 HydrophobicContact CG1-SD 3.74Å; V278-M280 HydrophobicContact CG2-CG 3.9Å; V278-M280 HydrophobicContact CG2-SD 4.28Å; M280-C282 PolarHBondContact O-N 3.42Å; M280-C283 HydrophobicContact CB-CB 4.44Å; M280-C283 PolarHBondContact O-N 2.92Å; M280-C283 VanDerWaalsContact O-N 3.14Å; M280-C283 PolarHBondContact O-SG 3.47Å; M280-C283 VanDerWaalsContact O-SG 3.35Å; M280-N304 CarbonylContact C-O 3.11Å; M280-N304 VanDerWaalsContact C-O 3.3Å; M280-N304 VanDerWaalsContact CA-O 3.29Å; M280-N304 WeakPolarHBondContact CA-O 3.44Å; M280-N304 PolarHBondContact N-O 2.86Å; M280-L305 HydrophobicContact CB-CG 3.92Å; M280-L305 HydrophobicContact CE-CD2 4.43Å; M280-L305 HydrophobicContact SD-CD2 4.19Å; M280-L305 HydrophobicContact SD-CG 4.16Å
281	L	97.7	Very high	98.2	Very high	53 Å²	53	30.7 Å²	30.7	28%	0.277	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	125.2	179.5	-175.6	76.7	0	0	0	110.4	E261 R262 C283 N304 E306	E261-L281 WeakPolarHBondContact CA-O 3.32Å; E261-L281 HydrophobicContact CG-CB 3.99Å; R262-L281 PolarHBondContact N-O 3.13Å; L281-C283 PolarHBondContact O-N 3.29Å; L281-C283 VanDerWaalsContact O-N 3.13Å; L281-N304 PolarHBondContact N-O 3.44Å; L281-E306 WeakPolarHBondContact CA-O 3.15Å; L281-E306 HydrophobicContact CD1-CB 3.67Å; L281-E306 HydrophobicContact CD1-CG 3.74Å; L281-E306 WeakPolarHBondContact CD1-O 3.42Å
282	C	97.7	Very high	98.1	Very high	63 Å²	63	30.8 Å²	30.8	43%	0.426	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	27.4	179.1	-59.2	0	0	0	0	114.8	R262 M280 E306	R262-C282 WeakPolarHBondContact CA-O 3.07Å; R262-C282 HydrophobicContact CG-CB 4.12Å; M280-C282 PolarHBondContact O-N 3.42Å; C282-E306 PolarHBondContact N-O 3.14Å
283	C	98.4	Very high	98.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	17%	0.174	C	C	.	.			trans	-71.8	158.8	173.5	75	0	0	0	0	111.5	A263 M280 L281 A308 N309	A263-C283 WeakPolarHBondContact O-CA 3.45Å; A263-C283 WeakPolarHBondContact O-CB 3.27Å; M280-C283 HydrophobicContact CB-CB 4.44Å; M280-C283 PolarHBondContact O-N 2.92Å; M280-C283 VanDerWaalsContact O-N 3.14Å; M280-C283 PolarHBondContact O-SG 3.47Å; M280-C283 VanDerWaalsContact O-SG 3.35Å; L281-C283 PolarHBondContact O-N 3.29Å; L281-C283 VanDerWaalsContact O-N 3.13Å; C283-A308 WeakPolarHBondContact O-CA 3.3Å; C283-N309 PolarHBondContact O-N 2.88Å
284	N	98.6	Very high	98.1	Very high	47 Å²	47	32 Å²	32	25%	0.251	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-103.4	106.5	170.2	179.9	34.4	0	0	0	110.1	A263 D264 L265 S266 N309	A263-N284 PolarHBondContact O-N 3.21Å; D264-N284 PolarHBondContact OD1-ND2 3.39Å; L265-N284 CarbonylContact C-O 3.22Å; L265-N284 VanDerWaalsContact C-O 3.3Å; L265-N284 VanDerWaalsContact CA-O 3.27Å; L265-N284 WeakPolarHBondContact CA-O 3.5Å; L265-N284 WeakPolarHBondContact CB-O 3.13Å; L265-N284 PolarHBondContact N-O 3.28Å; S266-N284 PolarHBondContact N-O 2.94Å; S266-N284 VanDerWaalsContact N-O 3.16Å; N284-N309 PolarHBondContact OD1-ND2 3.36Å
285	A	98.4	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.			trans	-120.8	32.5	177.1	0	0	0	0	0	111.4	L265 G287 A288 N309 L310	L265-A285 HydrophobicContact CB-CB 4.08Å; A285-G287 PolarHBondContact O-N 2.99Å; A285-A288 HydrophobicContact CB-CB 4.17Å; A285-A288 WeakPolarHBondContact O-CB 3.27Å; A285-A288 PolarHBondContact O-N 3.11Å; A285-A288 VanDerWaalsContact O-N 3.14Å; A285-N309 CarbonylContact C-O 3.59Å; A285-N309 VanDerWaalsContact C-O 3.3Å; A285-N309 WeakPolarHBondContact CA-O 3.44Å; A285-N309 PolarHBondContact N-O 2.9Å; A285-L310 HydrophobicContact CB-CD2 3.77Å
286	E	98.6	Very high	97.8	Very high	73 Å²	73	34 Å²	34	34%	0.341	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	127	176.6	179.2	167.4	-166.4	0	0	110.9	S266 G267 A288 N309 K311	S266-E286 WeakPolarHBondContact CA-O 3.27Å; G267-E286 PolarHBondContact N-O 3.46Å; E286-A288 PolarHBondContact O-N 3.06Å; E286-A288 VanDerWaalsContact O-N 3.16Å; E286-N309 PolarHBondContact N-O 3.19Å; E286-N309 PolarHBondContact OE2-ND2 2.95Å; E286-K311 WeakPolarHBondContact CA-O 3.24Å; E286-K311 HydrophobicContact CG-CB 4.25Å; E286-K311 IonicContact OE1-NZ 2.89Å; E286-K311 PolarHBondContact OE1-NZ 3.27Å
287	G	98.3	Very high	97.4	Very high	43 Å²	43	33.6 Å²	33.6	44%	0.443	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	13.3	179.8	0	0	0	0	0	115.4	A285 K311	A285-G287 PolarHBondContact O-N 2.99Å; G287-K311 PolarHBondContact N-O 2.7Å
288	A	98.6	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	23%	0.227	C	C	.	.			trans	-69.7	154.7	174.9	0	0	0	0	0	111.7	A268 A285 E286 L290 V313 D314	A268-A288 CarbonylContact O-C 3.51Å; A268-A288 VanDerWaalsContact O-CA 3.26Å; A268-A288 WeakPolarHBondContact O-CA 3.09Å; A268-A288 WeakPolarHBondContact O-CB 3.3Å; A285-A288 HydrophobicContact CB-CB 4.17Å; A285-A288 WeakPolarHBondContact O-CB 3.27Å; A285-A288 PolarHBondContact O-N 3.11Å; A285-A288 VanDerWaalsContact O-N 3.14Å; E286-A288 PolarHBondContact O-N 3.06Å; E286-A288 VanDerWaalsContact O-N 3.16Å; A288-L290 HydrophobicContact CB-CD1 3.7Å; A288-V313 HydrophobicContact CB-CG2 4.29Å; A288-V313 WeakPolarHBondContact O-CA 3.5Å; A288-V313 WeakPolarHBondContact O-CG2 3.27Å; A288-D314 PolarHBondContact O-N 3.49Å
289	S	98.8	Very high	96.3	Very high	24 Å²	24	43.2 Å²	43.2	17%	0.168	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-102.5	126.8	169.9	-162.5	0	0	0	0	109	A268 M270 D271	A268-S289 PolarHBondContact O-N 3.12Å; M270-S289 WeakPolarHBondContact CA-O 3.44Å; M270-S289 WeakPolarHBondContact CB-O 3.42Å; M270-S289 PolarHBondContact N-O 3.38Å; D271-S289 VanDerWaalsContact OD1-CB 3.25Å; D271-S289 WeakPolarHBondContact OD1-CB 3.21Å; D271-S289 PolarHBondContact OD1-OG 2.74Å; D271-S289 PolarHBondContact OD2-OG 2.79Å
290	L	98.5	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.261	C	S	.	.			trans	-134.1	36.2	179.9	-73.9	98.3	0	0	0	109.4	M270 D271 L275 A288 G292 C293 F295 V313 D314 M315 S318	M270-L290 HydrophobicContact CB-CG 4.18Å; M270-L290 HydrophobicContact CG-CG 4.49Å; M270-L290 HydrophobicContact SD-CD2 4.1Å; M270-L290 HydrophobicContact SD-CG 4.15Å; D271-L290 PolarHBondContact OD1-N 3.19Å; L275-L290 HydrophobicContact CD1-CD2 3.87Å; A288-L290 HydrophobicContact CB-CD1 3.7Å; L290-G292 PolarHBondContact O-N 3.07Å; L290-C293 VanDerWaalsContact C-SG 3.6Å; L290-C293 WeakPolarHBondContact O-CB 3.42Å; L290-C293 PolarHBondContact O-N 3.44Å; L290-C293 PolarHBondContact O-SG 3.17Å; L290-C293 VanDerWaalsContact O-SG 3.38Å; L290-F295 HydrophobicContact CD2-CZ 3.82Å; L290-V313 HydrophobicContact CD1-CG2 3.3Å; L290-D314 CarbonylContact C-O 3.11Å; L290-D314 WeakPolarHBondContact CA-O 3.39Å; L290-D314 PolarHBondContact N-O 2.78Å; L290-M315 HydrophobicContact CB-CG 3.73Å; L290-S318 PolarHBondContact O-OG 3.44Å
291	K	98.7	Very high	95.2	Very high	78 Å²	78	45.1 Å²	45.1	34%	0.339	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	135.4	-175.8	-66.4	-179.1	177.9	-173.3	0	111.3	D271 G272 C293 D314 E316	D271-K291 CarbonylContact C-O 3.59Å; D271-K291 WeakPolarHBondContact CA-O 3.4Å; D271-K291 HydrophobicContact CB-CB 4.42Å; D271-K291 WeakPolarHBondContact OD1-CB 3.49Å; D271-K291 PolarHBondContact OD1-N 3.35Å; G272-K291 PolarHBondContact N-O 3.26Å; K291-C293 PolarHBondContact O-N 3.36Å; K291-C293 VanDerWaalsContact O-N 3.12Å; K291-D314 WeakPolarHBondContact CE-OD1 3.32Å; K291-D314 WeakPolarHBondContact CE-OD2 3.19Å; K291-D314 PolarHBondContact N-O 3.04Å; K291-D314 IonicContact NZ-OD1 2.71Å; K291-D314 IonicContact NZ-OD2 3.8Å; K291-D314 PolarHBondContact NZ-OD2 2.98Å; K291-E316 WeakPolarHBondContact CA-O 3.27Å; K291-E316 HydrophobicContact CG-CB 4.46Å
292	G	98.2	Very high	94.8	Very high	43 Å²	43	48.8 Å²	48.8	44%	0.443	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	25.3	177.4	0	0	0	0	0	114	L290 E316	L290-G292 PolarHBondContact O-N 3.07Å; G292-E316 PolarHBondContact N-O 3.46Å
293	C	98.3	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.279	C	S	.	.			trans	-67.8	151	175.5	-82.9	0	0	0	0	111.2	M270 L275 L290 K291 F295 S318 Q319	M270-C293 PolarHBondContact O-SG 3.34Å; L275-C293 HydrophobicContact CD1-CB 4.02Å; L290-C293 VanDerWaalsContact C-SG 3.6Å; L290-C293 WeakPolarHBondContact O-CB 3.42Å; L290-C293 PolarHBondContact O-N 3.44Å; L290-C293 PolarHBondContact O-SG 3.17Å; L290-C293 VanDerWaalsContact O-SG 3.38Å; K291-C293 PolarHBondContact O-N 3.36Å; K291-C293 VanDerWaalsContact O-N 3.12Å; C293-F295 HydrophobicContact CB-CD2 4.21Å; C293-F295 HydrophobicContact CB-CE2 3.65Å; C293-F295 HydrophobicContact CB-CZ 4.36Å; C293-S318 PolarHBondContact N-OG 3.12Å; C293-S318 WeakPolarHBondContact O-CA 3.21Å; C293-Q319 PolarHBondContact O-N 2.89Å
294	N	98	Very high	94.8	Very high	54 Å²	54	47.9 Å²	47.9	29%	0.289	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-109.3	110.1	175.1	-173.7	6.2	0	0	0	111.4	A273 N274 L275 Q276 E296	A273-N294 PolarHBondContact O-N 3.35Å; N274-N294 PolarHBondContact OD1-O 3.21Å; L275-N294 CarbonylContact C-O 3.54Å; L275-N294 WeakPolarHBondContact CA-O 3.46Å; L275-N294 PolarHBondContact N-O 3.35Å; Q276-N294 PolarHBondContact N-O 3.36Å; Q276-N294 PolarHBondContact NE2-ND2 3.44Å; Q276-N294 VanDerWaalsContact NE2-ND2 3.14Å; N294-E296 PolarHBondContact OD1-N 3.35Å; N294-E296 PolarHBondContact OD1-O 2.74Å
295	F	97.3	Very high	94.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	28%	0.277	C	S	.	.			trans	-102.2	-5.7	172.5	-61.2	-96	0	0	0	112.9	L275 V278 L290 C293 D297 A303 L305 Q319 M320	L275-F295 HydrophobicContact CB-CD1 3.51Å; L275-F295 HydrophobicContact CB-CE1 3.6Å; L275-F295 HydrophobicContact CB-CG 4.07Å; L275-F295 HydrophobicContact CB-CZ 4.2Å; L275-F295 HydrophobicContact CD1-CD1 4.26Å; L275-F295 HydrophobicContact CD1-CE1 3.49Å; L275-F295 VanDerWaalsContact CD1-CE1 3.49Å; L275-F295 HydrophobicContact CD1-CE2 4.02Å; L275-F295 HydrophobicContact CD1-CZ 3.36Å; L275-F295 HydrophobicContact CG-CE1 4.12Å; L275-F295 HydrophobicContact CG-CZ 4.4Å; V278-F295 HydrophobicContact CG1-CD1 4.2Å; V278-F295 HydrophobicContact CG1-CE1 4.25Å; L290-F295 HydrophobicContact CD2-CZ 3.82Å; C293-F295 HydrophobicContact CB-CD2 4.21Å; C293-F295 HydrophobicContact CB-CE2 3.65Å; C293-F295 HydrophobicContact CB-CZ 4.36Å; F295-D297 PolarHBondContact O-N 3.27Å; F295-A303 HydrophobicContact CB-CB 4.02Å; F295-A303 HydrophobicContact CD1-CB 3.61Å; F295-A303 HydrophobicContact CG-CB 4.3Å; F295-L305 HydrophobicContact CD1-CD1 4.29Å; F295-L305 HydrophobicContact CE1-CD1 4.03Å; F295-L305 HydrophobicContact CE1-CD2 4.39Å; F295-Q319 WeakPolarHBondContact CA-O 3.27Å; F295-Q319 VanDerWaalsContact CB-O 3.31Å; F295-Q319 WeakPolarHBondContact CB-O 3.31Å; F295-Q319 WeakPolarHBondContact CD2-O 3.35Å; F295-Q319 PolarHBondContact N-O 3.03Å; F295-M320 HydrophobicContact CD2-CG 3.7Å; F295-M320 HydrophobicContact CE2-CE 4.32Å; F295-M320 HydrophobicContact CE2-CG 4.05Å
296	E	93.1	Very high	94.8	Very high	77 Å²	77	47.8 Å²	47.8	36%	0.36	29%	0.287	S	S	.	.			trans	-83.5	109.1	-174.2	-176.4	172.9	159	0	0	110.9	Q276 N294 T321	Q276-E296 VanDerWaalsContact CG-O 3.23Å; Q276-E296 WeakPolarHBondContact CG-O 3.38Å; Q276-E296 PolarHBondContact NE2-O 3.29Å; N294-E296 PolarHBondContact OD1-N 3.35Å; N294-E296 PolarHBondContact OD1-O 2.74Å; E296-T321 WeakPolarHBondContact OE2-CB 3.47Å; E296-T321 PolarHBondContact OE2-OG1 2.8Å
297	D	87.8	Confident	94.7	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.15	29%	0.285	C	S	.	.			trans	-94.4	118.7	170.5	174.8	29.4	0	0	0	110.3	Q276 F295 S299 G300 L301	Q276-D297 HydrophobicContact CB-CB 4.16Å; Q276-D297 HydrophobicContact CG-CB 4.24Å; F295-D297 PolarHBondContact O-N 3.27Å; D297-S299 PolarHBondContact O-N 3.24Å; D297-S299 VanDerWaalsContact O-N 3.12Å; D297-S299 PolarHBondContact OD1-N 3.18Å; D297-S299 PolarHBondContact OD1-OG 3.35Å; D297-S299 WeakPolarHBondContact OD2-CB 3.38Å; D297-S299 PolarHBondContact OD2-OG 3.43Å; D297-G300 PolarHBondContact O-N 3.13Å; D297-G300 PolarHBondContact OD2-N 2.93Å; D297-L301 HydrophobicContact CB-CB 4.26Å; D297-L301 WeakPolarHBondContact CB-O 3.4Å; D297-L301 WeakPolarHBondContact OD2-CA 3.43Å; D297-L301 WeakPolarHBondContact OD2-CB 3.29Å; D297-L301 WeakPolarHBondContact OD2-CG 3.28Å; D297-L301 PolarHBondContact OD2-N 3.07Å
298	P	84.6	Confident	94.7	Very high	121 Å²	121	43.6 Å²	43.6	79%	0.786	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.4	176.6	26.4	-35.1	0	0	0	113.2	G300	P298-G300 VanDerWaalsContact C-N 3.27Å
299	S	85.9	Confident	94.7	Very high	91 Å²	91	45.6 Å²	45.6	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.7	174.9	94.9	0	0	0	0	113.7	D297	D297-S299 PolarHBondContact O-N 3.24Å; D297-S299 VanDerWaalsContact O-N 3.12Å; D297-S299 PolarHBondContact OD1-N 3.18Å; D297-S299 PolarHBondContact OD1-OG 3.35Å; D297-S299 WeakPolarHBondContact OD2-CB 3.38Å; D297-S299 PolarHBondContact OD2-OG 3.43Å
300	G	84.2	Confident	94.7	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	27%	0.266	S	S	.	.			trans	92.5	5.4	175.6	0	0	0	0	0	115	D297 P298 K302	D297-G300 PolarHBondContact O-N 3.13Å; D297-G300 PolarHBondContact OD2-N 2.93Å; P298-G300 VanDerWaalsContact C-N 3.27Å; G300-K302 PolarHBondContact O-N 3.33Å; G300-K302 VanDerWaalsContact O-N 3.1Å
301	L	88.9	Confident	94.7	Very high	94 Å²	94	48.3 Å²	48.3	49%	0.492	28%	0.283	S	S	.	.			trans	-73.1	102.8	172.7	-60	171	0	0	0	110.1	G277 D297	G277-L301 PolarHBondContact N-O 2.89Å; D297-L301 HydrophobicContact CB-CB 4.26Å; D297-L301 WeakPolarHBondContact CB-O 3.4Å; D297-L301 WeakPolarHBondContact OD2-CA 3.43Å; D297-L301 WeakPolarHBondContact OD2-CB 3.29Å; D297-L301 WeakPolarHBondContact OD2-CG 3.28Å; D297-L301 PolarHBondContact OD2-N 3.07Å
302	K	90.8	Very high	94.7	Very high	130 Å²	130	46.3 Å²	46.3	57%	0.565	29%	0.285	S	S	*	.			trans	-73.4	134	178.2	-66.1	173	168.7	-158.1	0	110.8	G300 G322	G300-K302 PolarHBondContact O-N 3.33Å; G300-K302 VanDerWaalsContact O-N 3.1Å; K302-G322 WeakPolarHBondContact CD-O 3.21Å; K302-G322 WeakPolarHBondContact CG-O 3.36Å
303	A	96.9	Very high	94.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	26%	0.264	C	S	.	.			trans	-63.9	140.8	167.2	0	0	0	0	0	111	V278 F295 L305 V323 N324	V278-A303 HydrophobicContact CG1-CB 3.89Å; V278-A303 WeakPolarHBondContact O-CA 3.37Å; F295-A303 HydrophobicContact CB-CB 4.02Å; F295-A303 HydrophobicContact CD1-CB 3.61Å; F295-A303 HydrophobicContact CG-CB 4.3Å; A303-L305 HydrophobicContact CB-CD1 4.1Å; A303-V323 HydrophobicContact CB-CG2 4.16Å; A303-N324 PolarHBondContact O-N 2.94Å
304	N	97.9	Very high	94.7	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.241	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-119.2	105.3	-176.8	-174.6	15.2	0	0	0	112	V278 M280 L281 E306 N324	V278-N304 PolarHBondContact O-N 2.86Å; M280-N304 CarbonylContact C-O 3.11Å; M280-N304 VanDerWaalsContact C-O 3.3Å; M280-N304 VanDerWaalsContact CA-O 3.29Å; M280-N304 WeakPolarHBondContact CA-O 3.44Å; M280-N304 PolarHBondContact N-O 2.86Å; L281-N304 PolarHBondContact N-O 3.44Å; N304-E306 VanDerWaalsContact OD1-CB 3.31Å; N304-E306 WeakPolarHBondContact OD1-CB 3.23Å; N304-E306 PolarHBondContact OD1-N 3.33Å; N304-E306 VanDerWaalsContact OD1-N 3.17Å; N304-N324 PolarHBondContact OD1-ND2 2.94Å
305	L	98.3	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.			trans	-113.2	26	176.4	-64.1	83.1	0	0	0	111.3	M280 F295 A303 G307 A308 L310 V323 N324 L325	M280-L305 HydrophobicContact CB-CG 3.92Å; M280-L305 HydrophobicContact CE-CD2 4.43Å; M280-L305 HydrophobicContact SD-CD2 4.19Å; M280-L305 HydrophobicContact SD-CG 4.16Å; F295-L305 HydrophobicContact CD1-CD1 4.29Å; F295-L305 HydrophobicContact CE1-CD1 4.03Å; F295-L305 HydrophobicContact CE1-CD2 4.39Å; A303-L305 HydrophobicContact CB-CD1 4.1Å; L305-G307 PolarHBondContact O-N 3.36Å; L305-A308 HydrophobicContact CB-CB 4.16Å; L305-A308 WeakPolarHBondContact O-CB 3.33Å; L305-A308 PolarHBondContact O-N 3.31Å; L305-A308 VanDerWaalsContact O-N 3.11Å; L305-L310 HydrophobicContact CD2-CD1 3.96Å; L305-L310 HydrophobicContact CD2-CD2 4.34Å; L305-V323 HydrophobicContact CD1-CG2 3.4Å; L305-V323 VanDerWaalsContact CD1-CG2 3.4Å; L305-N324 CarbonylContact C-O 3.45Å; L305-N324 WeakPolarHBondContact CA-O 3.09Å; L305-N324 PolarHBondContact N-O 3.14Å; L305-L325 HydrophobicContact CB-CD2 3.75Å; L305-L325 HydrophobicContact CD2-CD2 4.21Å; L305-L325 HydrophobicContact CG-CD2 4.47Å
306	E	98.3	Very high	94.8	Very high	45 Å²	45	46.1 Å²	46.1	21%	0.21	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	132.3	178.2	166	170.1	-168.8	0	0	111.6	L281 C282 N304 A308 N324 R326	L281-E306 WeakPolarHBondContact CA-O 3.15Å; L281-E306 HydrophobicContact CD1-CB 3.67Å; L281-E306 HydrophobicContact CD1-CG 3.74Å; L281-E306 WeakPolarHBondContact CD1-O 3.42Å; C282-E306 PolarHBondContact N-O 3.14Å; N304-E306 VanDerWaalsContact OD1-CB 3.31Å; N304-E306 WeakPolarHBondContact OD1-CB 3.23Å; N304-E306 PolarHBondContact OD1-N 3.33Å; N304-E306 VanDerWaalsContact OD1-N 3.17Å; E306-A308 PolarHBondContact O-N 3.49Å; E306-A308 VanDerWaalsContact O-N 3.14Å; E306-N324 PolarHBondContact N-O 3.06Å; E306-N324 PolarHBondContact OE2-ND2 2.89Å; E306-R326 WeakPolarHBondContact CA-O 3.42Å; E306-R326 VanDerWaalsContact CD-NH2 3.34Å; E306-R326 HydrophobicContact CG-CB 4.3Å; E306-R326 WeakPolarHBondContact CG-O 3.49Å; E306-R326 IonicContact OE1-CZ 3.23Å; E306-R326 IonicContact OE1-NE 2.82Å; E306-R326 PolarHBondContact OE1-NE 2.96Å; E306-R326 IonicContact OE1-NH2 3.73Å; E306-R326 PolarHBondContact OE1-NH2 2.7Å; E306-R326 IonicContact OE2-CZ 2.67Å; E306-R326 IonicContact OE2-NE 3.35Å; E306-R326 IonicContact OE2-NH2 3.8Å; E306-R326 PolarHBondContact OE2-NH2 3.17Å
307	G	97.6	Very high	95	Very high	28 Å²	28	43.8 Å²	43.8	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	13.6	-178.9	0	0	0	0	0	115.3	L305 R326	L305-G307 PolarHBondContact O-N 3.36Å; G307-R326 PolarHBondContact N-O 3.22Å
308	A	98.4	Very high	95.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	26%	0.261	C	S	.	.			trans	-68.7	143	176.9	0	0	0	0	0	111.7	C283 L305 E306 L310 A328 T329	C283-A308 WeakPolarHBondContact O-CA 3.3Å; L305-A308 HydrophobicContact CB-CB 4.16Å; L305-A308 WeakPolarHBondContact O-CB 3.33Å; L305-A308 PolarHBondContact O-N 3.31Å; L305-A308 VanDerWaalsContact O-N 3.11Å; E306-A308 PolarHBondContact O-N 3.49Å; E306-A308 VanDerWaalsContact O-N 3.14Å; A308-L310 HydrophobicContact CB-CD1 4.1Å; A308-L310 HydrophobicContact CB-CG 4.07Å; A308-L310 PolarHBondContact O-N 3.26Å; A308-A328 WeakPolarHBondContact O-CA 3.48Å; A308-A328 WeakPolarHBondContact O-CB 3.12Å; A308-T329 PolarHBondContact O-N 3.03Å
309	N	98.6	Very high	96.1	Very high	42 Å²	42	40.2 Å²	40.2	23%	0.225	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-86.1	106	166.9	178.9	20.9	0	0	0	109	C283 N284 A285 E286 K311	C283-N309 PolarHBondContact O-N 2.88Å; N284-N309 PolarHBondContact OD1-ND2 3.36Å; A285-N309 CarbonylContact C-O 3.59Å; A285-N309 VanDerWaalsContact C-O 3.3Å; A285-N309 WeakPolarHBondContact CA-O 3.44Å; A285-N309 PolarHBondContact N-O 2.9Å; E286-N309 PolarHBondContact N-O 3.19Å; E286-N309 PolarHBondContact OE2-ND2 2.95Å; N309-K311 WeakPolarHBondContact OD1-CB 3.4Å; N309-K311 PolarHBondContact OD1-N 2.8Å
310	L	98.4	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.			trans	-118.3	26	-178	-68.9	163	0	0	0	110.9	A285 L305 A308 G312 V313 M315 L325 A328 T329 L330	A285-L310 HydrophobicContact CB-CD2 3.77Å; L305-L310 HydrophobicContact CD2-CD1 3.96Å; L305-L310 HydrophobicContact CD2-CD2 4.34Å; A308-L310 HydrophobicContact CB-CD1 4.1Å; A308-L310 HydrophobicContact CB-CG 4.07Å; A308-L310 PolarHBondContact O-N 3.26Å; L310-G312 PolarHBondContact O-N 3.02Å; L310-V313 HydrophobicContact CB-CB 4.36Å; L310-V313 HydrophobicContact CB-CG1 3.97Å; L310-V313 HydrophobicContact CD2-CB 4.47Å; L310-V313 HydrophobicContact CD2-CG1 4.4Å; L310-V313 HydrophobicContact CD2-CG2 4.21Å; L310-V313 VanDerWaalsContact O-CB 3.3Å; L310-V313 WeakPolarHBondContact O-CB 3.33Å; L310-V313 WeakPolarHBondContact O-CG1 3.49Å; L310-V313 PolarHBondContact O-N 2.99Å; L310-M315 HydrophobicContact CD1-CE 4.4Å; L310-L325 HydrophobicContact CD1-CD2 3.52Å; L310-A328 HydrophobicContact CD1-CB 4.37Å; L310-T329 CarbonylContact C-O 3.1Å; L310-T329 WeakPolarHBondContact CA-O 3.43Å; L310-T329 WeakPolarHBondContact CB-O 3.11Å; L310-T329 PolarHBondContact N-O 3.2Å; L310-L330 HydrophobicContact CB-CD2 3.57Å; L310-L330 HydrophobicContact CB-CG 4.13Å; L310-L330 HydrophobicContact CD1-CD2 3.87Å; L310-L330 HydrophobicContact CD1-CG 4.3Å; L310-L330 HydrophobicContact CG-CD2 4.34Å
311	K	98.6	Very high	97.2	Very high	81 Å²	81	35.3 Å²	35.3	35%	0.352	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	129.5	-179.5	179.1	-179	158.6	-136.7	0	110.6	E286 G287 N309 V313 T329 K331	E286-K311 WeakPolarHBondContact CA-O 3.24Å; E286-K311 HydrophobicContact CG-CB 4.25Å; E286-K311 IonicContact OE1-NZ 2.89Å; E286-K311 PolarHBondContact OE1-NZ 3.27Å; G287-K311 PolarHBondContact N-O 2.7Å; N309-K311 WeakPolarHBondContact OD1-CB 3.4Å; N309-K311 PolarHBondContact OD1-N 2.8Å; K311-V313 PolarHBondContact O-N 2.96Å; K311-V313 VanDerWaalsContact O-N 3.16Å; K311-T329 PolarHBondContact N-O 2.99Å; K311-T329 VanDerWaalsContact N-O 3.15Å; K311-K331 CarbonylContact C-O 3.43Å; K311-K331 WeakPolarHBondContact CA-O 3.4Å; K311-K331 HydrophobicContact CG-CB 4.43Å; K311-K331 WeakPolarHBondContact CG-O 3.29Å
312	G	98.3	Very high	97.5	Very high	36 Å²	36	31 Å²	31	37%	0.371	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	15	179.1	0	0	0	0	0	115	L310 K331	L310-G312 PolarHBondContact O-N 3.02Å; G312-K331 PolarHBondContact N-O 2.82Å
313	V	98.4	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.			trans	-66.7	146.8	178.3	76.4	0	0	0	0	110.8	A288 L290 L310 K311 M315 L330 A333 K334	A288-V313 HydrophobicContact CB-CG2 4.29Å; A288-V313 WeakPolarHBondContact O-CA 3.5Å; A288-V313 WeakPolarHBondContact O-CG2 3.27Å; L290-V313 HydrophobicContact CD1-CG2 3.3Å; L310-V313 HydrophobicContact CB-CB 4.36Å; L310-V313 HydrophobicContact CB-CG1 3.97Å; L310-V313 HydrophobicContact CD2-CB 4.47Å; L310-V313 HydrophobicContact CD2-CG1 4.4Å; L310-V313 HydrophobicContact CD2-CG2 4.21Å; L310-V313 VanDerWaalsContact O-CB 3.3Å; L310-V313 WeakPolarHBondContact O-CB 3.33Å; L310-V313 WeakPolarHBondContact O-CG1 3.49Å; L310-V313 PolarHBondContact O-N 2.99Å; K311-V313 PolarHBondContact O-N 2.96Å; K311-V313 VanDerWaalsContact O-N 3.16Å; V313-M315 HydrophobicContact CG1-CE 3.39Å; V313-M315 HydrophobicContact CG1-CG 4.15Å; V313-M315 HydrophobicContact CG1-SD 4.42Å; V313-M315 HydrophobicContact CG2-CG 4.18Å; V313-L330 HydrophobicContact CG1-CD2 4.09Å; V313-A333 HydrophobicContact CG1-CB 3.7Å; V313-A333 WeakPolarHBondContact O-CA 3.41Å; V313-K334 PolarHBondContact O-N 2.77Å
314	D	98.7	Very high	97.8	Very high	18 Å²	18	26.3 Å²	26.3	10%	0.096	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-107.2	104.6	174.1	-161.2	-24.6	0	0	0	109.9	A288 L290 K291 E316 K334	A288-D314 PolarHBondContact O-N 3.49Å; L290-D314 CarbonylContact C-O 3.11Å; L290-D314 WeakPolarHBondContact CA-O 3.39Å; L290-D314 PolarHBondContact N-O 2.78Å; K291-D314 WeakPolarHBondContact CE-OD1 3.32Å; K291-D314 WeakPolarHBondContact CE-OD2 3.19Å; K291-D314 PolarHBondContact N-O 3.04Å; K291-D314 IonicContact NZ-OD1 2.71Å; K291-D314 IonicContact NZ-OD2 3.8Å; K291-D314 PolarHBondContact NZ-OD2 2.98Å; D314-E316 PolarHBondContact OD1-N 3.41Å; D314-K334 HydrophobicContact CB-CD 4.3Å; D314-K334 WeakPolarHBondContact OD2-CD 3.4Å; D314-K334 IonicContact OD2-NZ 3.24Å; D314-K334 PolarHBondContact OD2-NZ 3.47Å
315	M	98.3	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.			trans	-112.7	12.2	-176.4	-85	-169.3	-74.3	0	0	112.6	L290 L310 V313 G317 S318 M320 L330 K334 L335 C338	L290-M315 HydrophobicContact CB-CG 3.73Å; L310-M315 HydrophobicContact CD1-CE 4.4Å; V313-M315 HydrophobicContact CG1-CE 3.39Å; V313-M315 HydrophobicContact CG1-CG 4.15Å; V313-M315 HydrophobicContact CG1-SD 4.42Å; V313-M315 HydrophobicContact CG2-CG 4.18Å; M315-G317 PolarHBondContact O-N 3.4Å; M315-S318 WeakPolarHBondContact O-CB 3.3Å; M315-S318 PolarHBondContact O-N 3.14Å; M315-S318 VanDerWaalsContact O-N 3.09Å; M315-S318 PolarHBondContact O-OG 2.78Å; M315-M320 HydrophobicContact CE-CE 4.17Å; M315-M320 HydrophobicContact SD-CE 3.41Å; M315-M320 WeakPolarHBondContact SD-CE 3.49Å; M315-M320 HydrophobicContact SD-SD 3.78Å; M315-L330 HydrophobicContact CE-CD2 3.37Å; M315-K334 PolarHBondContact N-O 2.86Å; M315-L335 HydrophobicContact CB-CD2 3.9Å; M315-L335 HydrophobicContact CE-CD2 3.48Å; M315-L335 VanDerWaalsContact CE-CD2 3.48Å; M315-L335 HydrophobicContact SD-CD2 4.39Å; M315-C338 PolarHBondContact O-SG 2.83Å
316	E	98.4	Very high	97.8	Very high	77 Å²	77	29.8 Å²	29.8	36%	0.36	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	129.4	-173.7	-176	176.9	178	0	0	113.1	K291 G292 D314 S318 K336	K291-E316 WeakPolarHBondContact CA-O 3.27Å; K291-E316 HydrophobicContact CG-CB 4.46Å; G292-E316 PolarHBondContact N-O 3.46Å; D314-E316 PolarHBondContact OD1-N 3.41Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.77Å; E316-K336 CarbonylContact C-O 3.56Å; E316-K336 WeakPolarHBondContact CA-O 3.4Å; E316-K336 HydrophobicContact CG-CB 4.21Å; E316-K336 WeakPolarHBondContact CG-O 3.32Å
317	G	97.8	Very high	97.7	Very high	28 Å²	28	32 Å²	32	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	8.4	176.8	0	0	0	0	0	116.1	M315 K336 N337	M315-G317 PolarHBondContact O-N 3.4Å; G317-K336 PolarHBondContact N-O 3.41Å; G317-N337 WeakPolarHBondContact CA-O 3.33Å
318	S	98.1	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.			trans	-72.3	146.3	-177.1	-63.3	0	0	0	0	113.6	L290 C293 M315 E316 C338 N339	L290-S318 PolarHBondContact O-OG 3.44Å; C293-S318 PolarHBondContact N-OG 3.12Å; C293-S318 WeakPolarHBondContact O-CA 3.21Å; M315-S318 WeakPolarHBondContact O-CB 3.3Å; M315-S318 PolarHBondContact O-N 3.14Å; M315-S318 VanDerWaalsContact O-N 3.09Å; M315-S318 PolarHBondContact O-OG 2.78Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.77Å; S318-C338 WeakPolarHBondContact O-CA 3.42Å; S318-N339 PolarHBondContact O-N 2.77Å
319	Q	97.9	Very high	97.8	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-90.3	105	172.4	-58.6	-54.1	-53.4	0	0	109.3	C293 F295 N339	C293-Q319 PolarHBondContact O-N 2.89Å; F295-Q319 WeakPolarHBondContact CA-O 3.27Å; F295-Q319 VanDerWaalsContact CB-O 3.31Å; F295-Q319 WeakPolarHBondContact CB-O 3.31Å; F295-Q319 WeakPolarHBondContact CD2-O 3.35Å; F295-Q319 PolarHBondContact N-O 3.03Å; Q319-N339 VanDerWaalsContact OE1-CB 3.32Å; Q319-N339 PolarHBondContact OE1-ND2 2.87Å; Q319-N339 VanDerWaalsContact OE1-ND2 3.08Å
320	M	96.8	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.			trans	-123.9	26.8	-170.3	-57.3	-178.9	75.4	0	0	112.3	F295 M315 G322 V323 L325 N339 L340	F295-M320 HydrophobicContact CD2-CG 3.7Å; F295-M320 HydrophobicContact CE2-CE 4.32Å; F295-M320 HydrophobicContact CE2-CG 4.05Å; M315-M320 HydrophobicContact CE-CE 4.17Å; M315-M320 HydrophobicContact SD-CE 3.41Å; M315-M320 WeakPolarHBondContact SD-CE 3.49Å; M315-M320 HydrophobicContact SD-SD 3.78Å; M320-G322 PolarHBondContact O-N 3.46Å; M320-V323 HydrophobicContact CB-CB 4.37Å; M320-V323 HydrophobicContact CB-CG1 4.01Å; M320-V323 HydrophobicContact CE-CG1 4.25Å; M320-V323 WeakPolarHBondContact O-CB 3.33Å; M320-V323 VanDerWaalsContact O-CG1 3.26Å; M320-V323 WeakPolarHBondContact O-CG1 3.41Å; M320-V323 PolarHBondContact O-N 2.92Å; M320-V323 VanDerWaalsContact O-N 3.14Å; M320-L325 HydrophobicContact CE-CD1 4.1Å; M320-N339 CarbonylContact C-O 3.56Å; M320-N339 WeakPolarHBondContact CA-O 3.36Å; M320-N339 VanDerWaalsContact CB-O 3.3Å; M320-N339 WeakPolarHBondContact CB-O 3.38Å; M320-N339 PolarHBondContact N-O 2.6Å; M320-L340 HydrophobicContact CB-CD2 3.75Å; M320-L340 HydrophobicContact CB-CG 4.46Å; M320-L340 HydrophobicContact CE-CD2 4.35Å; M320-L340 HydrophobicContact CG-CD2 4.5Å; M320-L340 HydrophobicContact SD-CD2 4.03Å
321	T	95.3	Very high	97.7	Very high	41 Å²	41	34 Å²	34	25%	0.252	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	123.9	179.1	-53.9	0	0	0	0	110.9	E296 V323 N339 R341	E296-T321 WeakPolarHBondContact OE2-CB 3.47Å; E296-T321 PolarHBondContact OE2-OG1 2.8Å; T321-V323 PolarHBondContact O-N 3.1Å; T321-N339 PolarHBondContact N-O 3.02Å; T321-N339 PolarHBondContact OG1-ND2 2.95Å; T321-R341 CarbonylContact C-O 3.59Å; T321-R341 WeakPolarHBondContact CA-O 3.46Å; T321-R341 HydrophobicContact CG2-CB 4.3Å
322	G	94.9	Very high	97.7	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	5	174.9	0	0	0	0	0	115.7	K302 M320 R341	K302-G322 WeakPolarHBondContact CD-O 3.21Å; K302-G322 WeakPolarHBondContact CG-O 3.36Å; M320-G322 PolarHBondContact O-N 3.46Å; G322-R341 PolarHBondContact N-O 2.79Å
323	V	97.4	Very high	97.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.17	C	C	.	.			trans	-56.5	141.4	-177.4	73.1	0	0	0	0	112.1	A303 L305 M320 T321 L325 L340 A343 T344	A303-V323 HydrophobicContact CB-CG2 4.16Å; L305-V323 HydrophobicContact CD1-CG2 3.4Å; L305-V323 VanDerWaalsContact CD1-CG2 3.4Å; M320-V323 HydrophobicContact CB-CB 4.37Å; M320-V323 HydrophobicContact CB-CG1 4.01Å; M320-V323 HydrophobicContact CE-CG1 4.25Å; M320-V323 WeakPolarHBondContact O-CB 3.33Å; M320-V323 VanDerWaalsContact O-CG1 3.26Å; M320-V323 WeakPolarHBondContact O-CG1 3.41Å; M320-V323 PolarHBondContact O-N 2.92Å; M320-V323 VanDerWaalsContact O-N 3.14Å; T321-V323 PolarHBondContact O-N 3.1Å; V323-L325 HydrophobicContact CG1-CD1 3.63Å; V323-L325 HydrophobicContact CG1-CG 3.99Å; V323-L325 HydrophobicContact CG2-CG 4.33Å; V323-L340 HydrophobicContact CG1-CD2 4.15Å; V323-A343 HydrophobicContact CG1-CB 3.79Å; V323-A343 WeakPolarHBondContact O-CA 3.37Å; V323-T344 PolarHBondContact O-N 2.67Å
324	N	97.9	Very high	97.7	Very high	31 Å²	31	37.3 Å²	37.3	17%	0.166	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-92.6	111.2	170.5	-177.7	19.2	0	0	0	110.2	A303 N304 L305 E306 R326	A303-N324 PolarHBondContact O-N 2.94Å; N304-N324 PolarHBondContact OD1-ND2 2.94Å; L305-N324 CarbonylContact C-O 3.45Å; L305-N324 WeakPolarHBondContact CA-O 3.09Å; L305-N324 PolarHBondContact N-O 3.14Å; E306-N324 PolarHBondContact N-O 3.06Å; E306-N324 PolarHBondContact OE2-ND2 2.89Å; N324-R326 VanDerWaalsContact OD1-CB 3.27Å; N324-R326 WeakPolarHBondContact OD1-CB 3.35Å; N324-R326 PolarHBondContact OD1-N 2.89Å; N324-R326 VanDerWaalsContact OD1-N 3.09Å
325	L	98.1	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.189	C	C	.	.			trans	-115.2	15.8	176.5	-78.2	162.4	0	0	0	111.4	L305 L310 M320 V323 V327 A328 L330 L340 T344 L345 T348	L305-L325 HydrophobicContact CB-CD2 3.75Å; L305-L325 HydrophobicContact CD2-CD2 4.21Å; L305-L325 HydrophobicContact CG-CD2 4.47Å; L310-L325 HydrophobicContact CD1-CD2 3.52Å; M320-L325 HydrophobicContact CE-CD1 4.1Å; V323-L325 HydrophobicContact CG1-CD1 3.63Å; V323-L325 HydrophobicContact CG1-CG 3.99Å; V323-L325 HydrophobicContact CG2-CG 4.33Å; L325-V327 PolarHBondContact O-N 3Å; L325-A328 HydrophobicContact CB-CB 4.41Å; L325-A328 HydrophobicContact CD2-CB 4.13Å; L325-A328 WeakPolarHBondContact O-CB 3.46Å; L325-A328 PolarHBondContact O-N 3.35Å; L325-L330 HydrophobicContact CD1-CD1 4.32Å; L325-L330 HydrophobicContact CD2-CD1 4.4Å; L325-L340 HydrophobicContact CD1-CD2 4.36Å; L325-T344 CarbonylContact C-O 3.25Å; L325-T344 WeakPolarHBondContact CA-O 3.16Å; L325-T344 PolarHBondContact N-O 3.27Å; L325-L345 HydrophobicContact CB-CD2 3.86Å; L325-L345 HydrophobicContact CD1-CD2 3.57Å; L325-L345 HydrophobicContact CG-CD2 4.37Å; L325-T348 HydrophobicContact CB-CG2 4.09Å; L325-T348 WeakPolarHBondContact O-CG2 3.43Å
326	R	97.6	Very high	97.6	Very high	117 Å²	117	40.1 Å²	40.1	44%	0.442	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	129.3	-175.7	-178.1	170.8	75.7	175.5	-1.5	111.8	E306 G307 N324 A328 T344 A346	E306-R326 WeakPolarHBondContact CA-O 3.42Å; E306-R326 VanDerWaalsContact CD-NH2 3.34Å; E306-R326 HydrophobicContact CG-CB 4.3Å; E306-R326 WeakPolarHBondContact CG-O 3.49Å; E306-R326 IonicContact OE1-CZ 3.23Å; E306-R326 IonicContact OE1-NE 2.82Å; E306-R326 PolarHBondContact OE1-NE 2.96Å; E306-R326 IonicContact OE1-NH2 3.73Å; E306-R326 PolarHBondContact OE1-NH2 2.7Å; E306-R326 IonicContact OE2-CZ 2.67Å; E306-R326 IonicContact OE2-NE 3.35Å; E306-R326 IonicContact OE2-NH2 3.8Å; E306-R326 PolarHBondContact OE2-NH2 3.17Å; G307-R326 PolarHBondContact N-O 3.22Å; N324-R326 VanDerWaalsContact OD1-CB 3.27Å; N324-R326 WeakPolarHBondContact OD1-CB 3.35Å; N324-R326 PolarHBondContact OD1-N 2.89Å; N324-R326 VanDerWaalsContact OD1-N 3.09Å; R326-A328 PolarHBondContact O-N 2.94Å; R326-T344 HydrophobicContact CB-CG2 4.35Å; R326-T344 PolarHBondContact N-O 2.95Å; R326-A346 WeakPolarHBondContact CA-O 3.38Å; R326-A346 WeakPolarHBondContact CG-O 3.14Å
327	V	97.1	Very high	97.5	Very high	90 Å²	90	40.1 Å²	40.1	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	19.4	177.8	-171.6	0	0	0	0	113.6	L325 A346	L325-V327 PolarHBondContact O-N 3Å; V327-A346 PolarHBondContact N-O 2.98Å
328	A	98.2	Very high	97.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	19%	0.193	C	C	.	.			trans	-74.4	151.7	172.6	0	0	0	0	0	111.7	A308 L310 L325 R326 T348 D349	A308-A328 WeakPolarHBondContact O-CA 3.48Å; A308-A328 WeakPolarHBondContact O-CB 3.12Å; L310-A328 HydrophobicContact CD1-CB 4.37Å; L325-A328 HydrophobicContact CB-CB 4.41Å; L325-A328 HydrophobicContact CD2-CB 4.13Å; L325-A328 WeakPolarHBondContact O-CB 3.46Å; L325-A328 PolarHBondContact O-N 3.35Å; R326-A328 PolarHBondContact O-N 2.94Å; A328-T348 HydrophobicContact CB-CG2 4.38Å; A328-T348 WeakPolarHBondContact O-CA 3.33Å; A328-D349 PolarHBondContact O-N 3.35Å
329	T	98.4	Very high	97.4	Very high	52 Å²	52	40.1 Å²	40.1	32%	0.319	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-98.6	107	175	-56.6	0	0	0	0	109.8	A308 L310 K311 K331 D349	A308-T329 PolarHBondContact O-N 3.03Å; L310-T329 CarbonylContact C-O 3.1Å; L310-T329 WeakPolarHBondContact CA-O 3.43Å; L310-T329 WeakPolarHBondContact CB-O 3.11Å; L310-T329 PolarHBondContact N-O 3.2Å; K311-T329 PolarHBondContact N-O 2.99Å; K311-T329 VanDerWaalsContact N-O 3.15Å; T329-K331 HydrophobicContact CG2-CB 4.35Å; T329-D349 HydrophobicContact CG2-CB 4.46Å
330	L	98.1	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.			trans	-108.2	12.3	180	-79.3	158.7	0	0	0	112.7	L310 V313 M315 L325 N332 A333 L345 D349 L350 C353	L310-L330 HydrophobicContact CB-CD2 3.57Å; L310-L330 HydrophobicContact CB-CG 4.13Å; L310-L330 HydrophobicContact CD1-CD2 3.87Å; L310-L330 HydrophobicContact CD1-CG 4.3Å; L310-L330 HydrophobicContact CG-CD2 4.34Å; V313-L330 HydrophobicContact CG1-CD2 4.09Å; M315-L330 HydrophobicContact CE-CD2 3.37Å; L325-L330 HydrophobicContact CD1-CD1 4.32Å; L325-L330 HydrophobicContact CD2-CD1 4.4Å; L330-N332 PolarHBondContact O-N 2.87Å; L330-A333 HydrophobicContact CB-CB 4.18Å; L330-A333 HydrophobicContact CD2-CB 3.89Å; L330-A333 WeakPolarHBondContact O-CA 3.44Å; L330-A333 WeakPolarHBondContact O-CB 3.4Å; L330-A333 PolarHBondContact O-N 3.07Å; L330-L345 HydrophobicContact CD1-CD2 4.4Å; L330-D349 CarbonylContact C-O 3.04Å; L330-D349 VanDerWaalsContact C-O 3.29Å; L330-D349 VanDerWaalsContact CA-O 3.24Å; L330-D349 WeakPolarHBondContact CA-O 3.24Å; L330-D349 WeakPolarHBondContact CB-O 3.41Å; L330-D349 PolarHBondContact N-O 3.23Å; L330-L350 HydrophobicContact CB-CD2 3.91Å; L330-L350 HydrophobicContact CD1-CD2 3.64Å; L330-L350 HydrophobicContact CG-CD2 4.42Å; L330-C353 PolarHBondContact O-SG 3.3Å
331	K	98.1	Very high	97.1	Very high	61 Å²	61	41 Å²	41	27%	0.265	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	129.1	-176.2	179.8	165	-176.6	156.4	0	113.1	K311 G312 T329 A333 D349 E351	K311-K331 CarbonylContact C-O 3.43Å; K311-K331 WeakPolarHBondContact CA-O 3.4Å; K311-K331 HydrophobicContact CG-CB 4.43Å; K311-K331 WeakPolarHBondContact CG-O 3.29Å; G312-K331 PolarHBondContact N-O 2.82Å; T329-K331 HydrophobicContact CG2-CB 4.35Å; K331-A333 PolarHBondContact O-N 3.03Å; K331-D349 PolarHBondContact N-O 2.91Å; K331-E351 CarbonylContact C-O 3.58Å; K331-E351 WeakPolarHBondContact CA-O 3.3Å; K331-E351 HydrophobicContact CD-CB 4.34Å; K331-E351 WeakPolarHBondContact CE-OE2 3.28Å; K331-E351 HydrophobicContact CG-CB 4.18Å; K331-E351 IonicContact NZ-OE1 3.41Å; K331-E351 PolarHBondContact NZ-OE1 3.31Å; K331-E351 IonicContact NZ-OE2 3.85Å; K331-E351 PolarHBondContact NZ-OE2 2.96Å
332	N	98.1	Very high	97	Very high	75 Å²	75	40 Å²	40	40%	0.401	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.7	-175.3	-47.6	-45.3	0	0	0	115.1	L330 E351 N352	L330-N332 PolarHBondContact O-N 2.87Å; N332-E351 PolarHBondContact N-O 2.96Å; N332-N352 WeakPolarHBondContact CA-O 3.42Å; N332-N352 WeakPolarHBondContact OD1-CB 3.36Å; N332-N352 PolarHBondContact OD1-ND2 3.19Å
333	A	98.1	Very high	97.1	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	20%	0.196	C	C	.	.			trans	-70.8	148.1	176.6	0	0	0	0	0	111.8	V313 L330 K331 L335 C353 D354	V313-A333 HydrophobicContact CG1-CB 3.7Å; V313-A333 WeakPolarHBondContact O-CA 3.41Å; L330-A333 HydrophobicContact CB-CB 4.18Å; L330-A333 HydrophobicContact CD2-CB 3.89Å; L330-A333 WeakPolarHBondContact O-CA 3.44Å; L330-A333 WeakPolarHBondContact O-CB 3.4Å; L330-A333 PolarHBondContact O-N 3.07Å; K331-A333 PolarHBondContact O-N 3.03Å; A333-L335 HydrophobicContact CB-CG 4.31Å; A333-C353 WeakPolarHBondContact O-CA 3.2Å; A333-D354 PolarHBondContact O-N 3.46Å; A333-D354 VanDerWaalsContact O-N 3.15Å
334	K	98.3	Very high	97	Very high	109 Å²	109	41.8 Å²	41.8	47%	0.474	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-98.6	111	171.1	-59.9	170.3	-177.9	176.3	0	108.5	V313 D314 M315	V313-K334 PolarHBondContact O-N 2.77Å; D314-K334 HydrophobicContact CB-CD 4.3Å; D314-K334 WeakPolarHBondContact OD2-CD 3.4Å; D314-K334 IonicContact OD2-NZ 3.24Å; D314-K334 PolarHBondContact OD2-NZ 3.47Å; M315-K334 PolarHBondContact N-O 2.86Å
335	L	97.4	Very high	97	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.2	C	C	.	.			trans	-116.9	13.4	-177.1	-64.5	166	0	0	0	111.5	M315 A333 N337 C338 L350 C353 D354 L355 C358	M315-L335 HydrophobicContact CB-CD2 3.9Å; M315-L335 HydrophobicContact CE-CD2 3.48Å; M315-L335 VanDerWaalsContact CE-CD2 3.48Å; M315-L335 HydrophobicContact SD-CD2 4.39Å; A333-L335 HydrophobicContact CB-CG 4.31Å; L335-N337 PolarHBondContact O-N 3.35Å; L335-C338 VanDerWaalsContact O-CB 3.28Å; L335-C338 WeakPolarHBondContact O-CB 3.27Å; L335-C338 PolarHBondContact O-N 3.46Å; L335-C338 VanDerWaalsContact O-N 3.15Å; L335-C338 PolarHBondContact O-SG 2.82Å; L335-L350 HydrophobicContact CD1-CD2 4.1Å; L335-C353 HydrophobicContact CD1-CB 4.39Å; L335-D354 CarbonylContact C-O 3.31Å; L335-D354 VanDerWaalsContact C-O 3.27Å; L335-D354 VanDerWaalsContact CA-O 3.25Å; L335-D354 WeakPolarHBondContact CA-O 3.43Å; L335-D354 VanDerWaalsContact CB-O 3.31Å; L335-D354 WeakPolarHBondContact CB-O 3.49Å; L335-D354 PolarHBondContact N-O 2.96Å; L335-L355 HydrophobicContact CB-CD2 3.79Å; L335-L355 HydrophobicContact CB-CG 4.38Å; L335-L355 HydrophobicContact CD1-CD2 3.52Å; L335-L355 HydrophobicContact CD1-CG 4.13Å; L335-L355 HydrophobicContact CG-CD2 4.29Å; L335-C358 PolarHBondContact O-SG 2.72Å
336	K	97.5	Very high	96.8	Very high	75 Å²	75	41.3 Å²	41.3	33%	0.326	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	136.1	-175.5	-171.9	177.1	-177.2	169.1	0	111.4	E316 G317 C338 D354 S356	E316-K336 CarbonylContact C-O 3.56Å; E316-K336 WeakPolarHBondContact CA-O 3.4Å; E316-K336 HydrophobicContact CG-CB 4.21Å; E316-K336 WeakPolarHBondContact CG-O 3.32Å; G317-K336 PolarHBondContact N-O 3.41Å; K336-C338 PolarHBondContact O-N 2.92Å; K336-D354 PolarHBondContact N-O 2.76Å; K336-S356 CarbonylContact C-O 3.53Å; K336-S356 VanDerWaalsContact CA-O 3.26Å; K336-S356 WeakPolarHBondContact CA-O 3.29Å; K336-S356 WeakPolarHBondContact CG-O 3.43Å
337	N	97	Very high	96.7	Very high	77 Å²	77	37.3 Å²	37.3	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	22.7	178.8	-55.9	-40.2	0	0	0	115.1	G317 L335 S356	G317-N337 WeakPolarHBondContact CA-O 3.33Å; L335-N337 PolarHBondContact O-N 3.35Å; N337-S356 PolarHBondContact N-O 3.41Å
338	C	97.1	Very high	96.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.178	C	C	.	.			trans	-76.7	144.6	174.7	-73.1	0	0	0	0	112.3	M315 S318 L335 K336 L340 C358 D359	M315-C338 PolarHBondContact O-SG 2.83Å; S318-C338 WeakPolarHBondContact O-CA 3.42Å; L335-C338 VanDerWaalsContact O-CB 3.28Å; L335-C338 WeakPolarHBondContact O-CB 3.27Å; L335-C338 PolarHBondContact O-N 3.46Å; L335-C338 VanDerWaalsContact O-N 3.15Å; L335-C338 PolarHBondContact O-SG 2.82Å; K336-C338 PolarHBondContact O-N 2.92Å; C338-L340 HydrophobicContact CB-CD1 4.27Å; C338-L340 HydrophobicContact CB-CG 4.2Å; C338-C358 VanDerWaalsContact O-CA 3.26Å; C338-C358 WeakPolarHBondContact O-CA 3.3Å; C338-D359 PolarHBondContact O-N 3.25Å
339	N	95.9	Very high	96.7	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-91.7	103.4	167.4	175.3	5.8	0	0	0	109.4	S318 Q319 M320 T321 R341	S318-N339 PolarHBondContact O-N 2.77Å; Q319-N339 VanDerWaalsContact OE1-CB 3.32Å; Q319-N339 PolarHBondContact OE1-ND2 2.87Å; Q319-N339 VanDerWaalsContact OE1-ND2 3.08Å; M320-N339 CarbonylContact C-O 3.56Å; M320-N339 WeakPolarHBondContact CA-O 3.36Å; M320-N339 VanDerWaalsContact CB-O 3.3Å; M320-N339 WeakPolarHBondContact CB-O 3.38Å; M320-N339 PolarHBondContact N-O 2.6Å; T321-N339 PolarHBondContact N-O 3.02Å; T321-N339 PolarHBondContact OG1-ND2 2.95Å; N339-R341 WeakPolarHBondContact OD1-CB 3.38Å; N339-R341 WeakPolarHBondContact OD1-CD 3.11Å; N339-R341 WeakPolarHBondContact OD1-CG 3.31Å; N339-R341 PolarHBondContact OD1-N 2.93Å
340	L	95.4	Very high	96.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.173	C	C	.	.			trans	-111.6	25.6	-178.4	-74.3	163.3	0	0	0	111.7	M320 V323 L325 C338 G342 A343 L355 D359 L360	M320-L340 HydrophobicContact CB-CD2 3.75Å; M320-L340 HydrophobicContact CB-CG 4.46Å; M320-L340 HydrophobicContact CE-CD2 4.35Å; M320-L340 HydrophobicContact CG-CD2 4.5Å; M320-L340 HydrophobicContact SD-CD2 4.03Å; V323-L340 HydrophobicContact CG1-CD2 4.15Å; L325-L340 HydrophobicContact CD1-CD2 4.36Å; C338-L340 HydrophobicContact CB-CD1 4.27Å; C338-L340 HydrophobicContact CB-CG 4.2Å; L340-G342 PolarHBondContact O-N 2.92Å; L340-A343 HydrophobicContact CB-CB 4.16Å; L340-A343 HydrophobicContact CD2-CB 4.03Å; L340-A343 WeakPolarHBondContact O-CB 3.28Å; L340-A343 PolarHBondContact O-N 2.9Å; L340-L355 HydrophobicContact CD1-CD2 3.95Å; L340-D359 CarbonylContact C-O 3.59Å; L340-D359 VanDerWaalsContact C-O 3.22Å; L340-D359 VanDerWaalsContact CA-O 3.26Å; L340-D359 WeakPolarHBondContact CA-O 3.37Å; L340-D359 WeakPolarHBondContact CB-O 3.43Å; L340-D359 PolarHBondContact N-O 2.85Å; L340-L360 HydrophobicContact CB-CD2 3.66Å; L340-L360 HydrophobicContact CD1-CD2 3.9Å; L340-L360 HydrophobicContact CG-CD2 4.44Å
341	R	93.6	Very high	96.6	Very high	91 Å²	91	34.2 Å²	34.2	34%	0.343	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	129	179	-68.9	172.7	79.5	99.9	2.5	111.1	T321 G322 N339 A343 D359 Q361	T321-R341 CarbonylContact C-O 3.59Å; T321-R341 WeakPolarHBondContact CA-O 3.46Å; T321-R341 HydrophobicContact CG2-CB 4.3Å; G322-R341 PolarHBondContact N-O 2.79Å; N339-R341 WeakPolarHBondContact OD1-CB 3.38Å; N339-R341 WeakPolarHBondContact OD1-CD 3.11Å; N339-R341 WeakPolarHBondContact OD1-CG 3.31Å; N339-R341 PolarHBondContact OD1-N 2.93Å; R341-A343 PolarHBondContact O-N 3.37Å; R341-A343 VanDerWaalsContact O-N 3.1Å; R341-D359 WeakPolarHBondContact CD-OD2 3.32Å; R341-D359 HydrophobicContact CG-CB 4.05Å; R341-D359 WeakPolarHBondContact CG-OD1 3.45Å; R341-D359 VanDerWaalsContact CG-OD2 3.26Å; R341-D359 WeakPolarHBondContact CG-OD2 3.3Å; R341-D359 IonicContact CZ-OD2 3.64Å; R341-D359 PolarHBondContact N-O 3.3Å; R341-D359 IonicContact NE-OD2 2.67Å; R341-D359 IonicContact NH1-OD2 3.18Å; R341-D359 PolarHBondContact NH1-OD2 3.43Å; R341-Q361 CarbonylContact C-O 3.27Å; R341-Q361 WeakPolarHBondContact CA-O 3.4Å; R341-Q361 HydrophobicContact CG-CB 4.27Å; R341-Q361 VanDerWaalsContact NH2-CD 3.28Å
342	G	93.6	Very high	96.6	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	12.5	179.6	0	0	0	0	0	115	L340 Q361	L340-G342 PolarHBondContact O-N 2.92Å; G342-Q361 PolarHBondContact N-O 2.78Å
343	A	95.8	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-66.6	144.7	179.2	0	0	0	0	0	111.7	V323 L340 R341 L345 A363 N364	V323-A343 HydrophobicContact CG1-CB 3.79Å; V323-A343 WeakPolarHBondContact O-CA 3.37Å; L340-A343 HydrophobicContact CB-CB 4.16Å; L340-A343 HydrophobicContact CD2-CB 4.03Å; L340-A343 WeakPolarHBondContact O-CB 3.28Å; L340-A343 PolarHBondContact O-N 2.9Å; R341-A343 PolarHBondContact O-N 3.37Å; R341-A343 VanDerWaalsContact O-N 3.1Å; A343-L345 HydrophobicContact CB-CG 4.43Å; A343-A363 CarbonylContact O-C 3.56Å; A343-A363 WeakPolarHBondContact O-CA 3.44Å; A343-N364 PolarHBondContact O-N 3.18Å
344	T	96.5	Very high	96.4	Very high	42 Å²	42	33.4 Å²	33.4	26%	0.258	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-96.5	99.6	174.5	-56.1	0	0	0	0	109.7	V323 L325 R326 A346	V323-T344 PolarHBondContact O-N 2.67Å; L325-T344 CarbonylContact C-O 3.25Å; L325-T344 WeakPolarHBondContact CA-O 3.16Å; L325-T344 PolarHBondContact N-O 3.27Å; R326-T344 HydrophobicContact CB-CG2 4.35Å; R326-T344 PolarHBondContact N-O 2.95Å; T344-A346 HydrophobicContact CG2-CB 4.41Å
345	L	96.3	Very high	96.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.157	C	C	.	.			trans	-106.6	22.3	179.5	-64.8	160.5	0	0	0	111.5	L325 L330 A343 G347 T348 L360 A363 N364 L365	L325-L345 HydrophobicContact CB-CD2 3.86Å; L325-L345 HydrophobicContact CD1-CD2 3.57Å; L325-L345 HydrophobicContact CG-CD2 4.37Å; L330-L345 HydrophobicContact CD1-CD2 4.4Å; A343-L345 HydrophobicContact CB-CG 4.43Å; L345-G347 PolarHBondContact O-N 2.83Å; L345-T348 HydrophobicContact CB-CG2 4.18Å; L345-T348 HydrophobicContact CD2-CG2 4.06Å; L345-T348 PolarHBondContact O-N 2.86Å; L345-T348 PolarHBondContact O-OG1 2.93Å; L345-L360 HydrophobicContact CD1-CD2 4.02Å; L345-A363 HydrophobicContact CD1-CB 4.42Å; L345-N364 CarbonylContact C-O 3.59Å; L345-N364 WeakPolarHBondContact CA-O 3.4Å; L345-N364 WeakPolarHBondContact CB-O 3.44Å; L345-N364 PolarHBondContact N-O 2.84Å; L345-L365 HydrophobicContact CB-CD2 3.95Å; L345-L365 HydrophobicContact CB-CG 4.16Å; L345-L365 HydrophobicContact CD1-CD2 3.74Å; L345-L365 HydrophobicContact CD1-CG 4.01Å; L345-L365 HydrophobicContact CG-CD2 4.46Å
346	A	95.6	Very high	96.2	Very high	21 Å²	21	28.4 Å²	28.4	17%	0.174	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	126.8	-177.7	0	0	0	0	0	110.7	R326 V327 T344 T348 N364 R366	R326-A346 WeakPolarHBondContact CA-O 3.38Å; R326-A346 WeakPolarHBondContact CG-O 3.14Å; V327-A346 PolarHBondContact N-O 2.98Å; T344-A346 HydrophobicContact CG2-CB 4.41Å; A346-T348 PolarHBondContact O-N 2.7Å; A346-N364 PolarHBondContact N-O 2.81Å; A346-N364 VanDerWaalsContact N-O 3.15Å; A346-R366 CarbonylContact C-O 3.14Å; A346-R366 WeakPolarHBondContact CA-O 3.39Å
347	G	95.5	Very high	96.1	Very high	33 Å²	33	25.1 Å²	25.1	34%	0.34	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	13.2	-179.1	0	0	0	0	0	115.5	L345 R366	L345-G347 PolarHBondContact O-N 2.83Å; G347-R366 PolarHBondContact N-O 2.93Å
348	T	97.2	Very high	96	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	13%	0.126	C	C	.	.			trans	-71	144.6	177.3	51	0	0	0	0	112.6	L325 A328 L345 A346 L350 S368 N369	L325-T348 HydrophobicContact CB-CG2 4.09Å; L325-T348 WeakPolarHBondContact O-CG2 3.43Å; A328-T348 HydrophobicContact CB-CG2 4.38Å; A328-T348 WeakPolarHBondContact O-CA 3.33Å; L345-T348 HydrophobicContact CB-CG2 4.18Å; L345-T348 HydrophobicContact CD2-CG2 4.06Å; L345-T348 PolarHBondContact O-N 2.86Å; L345-T348 PolarHBondContact O-OG1 2.93Å; A346-T348 PolarHBondContact O-N 2.7Å; T348-L350 PolarHBondContact O-N 2.84Å; T348-S368 CarbonylContact O-C 3.3Å; T348-S368 WeakPolarHBondContact O-CA 3.31Å; T348-S368 WeakPolarHBondContact O-CB 3.37Å; T348-S368 WeakPolarHBondContact OG1-CB 3.39Å; T348-N369 PolarHBondContact O-N 3.3Å
349	D	97.6	Very high	95.9	Very high	39 Å²	39	22.2 Å²	22.2	21%	0.209	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-89	100.3	168.4	-172.9	14.7	0	0	0	110.8	A328 T329 L330 K331 E351 N369	A328-D349 PolarHBondContact O-N 3.35Å; T329-D349 HydrophobicContact CG2-CB 4.46Å; L330-D349 CarbonylContact C-O 3.04Å; L330-D349 VanDerWaalsContact C-O 3.29Å; L330-D349 VanDerWaalsContact CA-O 3.24Å; L330-D349 WeakPolarHBondContact CA-O 3.24Å; L330-D349 WeakPolarHBondContact CB-O 3.41Å; L330-D349 PolarHBondContact N-O 3.23Å; K331-D349 PolarHBondContact N-O 2.91Å; D349-E351 WeakPolarHBondContact OD1-CB 3.4Å; D349-E351 PolarHBondContact OD1-N 2.88Å; D349-N369 PolarHBondContact OD1-ND2 2.85Å
350	L	96.8	Very high	95.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.123	C	C	.	.			trans	-101.5	21.5	179.3	-67.5	164.4	0	0	0	111.8	L330 L335 T348 N352 C353 L365 N369 V370	L330-L350 HydrophobicContact CB-CD2 3.91Å; L330-L350 HydrophobicContact CD1-CD2 3.64Å; L330-L350 HydrophobicContact CG-CD2 4.42Å; L335-L350 HydrophobicContact CD1-CD2 4.1Å; T348-L350 PolarHBondContact O-N 2.84Å; L350-N352 PolarHBondContact O-N 2.78Å; L350-C353 VanDerWaalsContact CA-SG 3.53Å; L350-C353 WeakPolarHBondContact O-CB 3.43Å; L350-C353 PolarHBondContact O-N 2.91Å; L350-C353 PolarHBondContact O-SG 2.94Å; L350-L365 HydrophobicContact CD1-CD2 3.51Å; L350-N369 CarbonylContact C-O 3.32Å; L350-N369 WeakPolarHBondContact CA-O 3.43Å; L350-N369 WeakPolarHBondContact CB-O 3.48Å; L350-N369 PolarHBondContact N-O 2.86Å; L350-V370 HydrophobicContact CB-CG1 4.34Å; L350-V370 HydrophobicContact CD1-CG1 4.06Å
351	E	97.6	Very high	95.7	Very high	36 Å²	36	24.3 Å²	24.3	17%	0.168	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.1	-178.7	-171.5	-174.5	165.5	0	0	111.5	K331 N332 D349 C353 N369 K371	K331-E351 CarbonylContact C-O 3.58Å; K331-E351 WeakPolarHBondContact CA-O 3.3Å; K331-E351 HydrophobicContact CD-CB 4.34Å; K331-E351 WeakPolarHBondContact CE-OE2 3.28Å; K331-E351 HydrophobicContact CG-CB 4.18Å; K331-E351 IonicContact NZ-OE1 3.41Å; K331-E351 PolarHBondContact NZ-OE1 3.31Å; K331-E351 IonicContact NZ-OE2 3.85Å; K331-E351 PolarHBondContact NZ-OE2 2.96Å; N332-E351 PolarHBondContact N-O 2.96Å; D349-E351 WeakPolarHBondContact OD1-CB 3.4Å; D349-E351 PolarHBondContact OD1-N 2.88Å; E351-C353 PolarHBondContact O-N 2.91Å; E351-N369 PolarHBondContact N-O 3.38Å; E351-K371 CarbonylContact C-O 3.18Å; E351-K371 VanDerWaalsContact CA-O 3.26Å; E351-K371 WeakPolarHBondContact CA-O 3.38Å; E351-K371 HydrophobicContact CG-CB 4.37Å; E351-K371 WeakPolarHBondContact CG-O 3.15Å
352	N	97.6	Very high	95.6	Very high	76 Å²	76	27.1 Å²	27.1	41%	0.406	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	31.6	-179.9	-50.7	-37.5	0	0	0	114.7	N332 L350 K371 G372	N332-N352 WeakPolarHBondContact CA-O 3.42Å; N332-N352 WeakPolarHBondContact OD1-CB 3.36Å; N332-N352 PolarHBondContact OD1-ND2 3.19Å; L350-N352 PolarHBondContact O-N 2.78Å; N352-K371 PolarHBondContact N-O 2.92Å; N352-G372 WeakPolarHBondContact CA-O 3.09Å
353	C	96.6	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.			trans	-80.2	147.5	173.1	-65.6	0	0	0	0	112	L330 A333 L335 L350 E351 A373 I374	L330-C353 PolarHBondContact O-SG 3.3Å; A333-C353 WeakPolarHBondContact O-CA 3.2Å; L335-C353 HydrophobicContact CD1-CB 4.39Å; L350-C353 VanDerWaalsContact CA-SG 3.53Å; L350-C353 WeakPolarHBondContact O-CB 3.43Å; L350-C353 PolarHBondContact O-N 2.91Å; L350-C353 PolarHBondContact O-SG 2.94Å; E351-C353 PolarHBondContact O-N 2.91Å; C353-A373 CarbonylContact O-C 3.33Å; C353-A373 VanDerWaalsContact O-CA 3.29Å; C353-A373 WeakPolarHBondContact O-CA 3.23Å; C353-I374 PolarHBondContact O-N 3.47Å
354	D	95.9	Very high	95.5	Very high	46 Å²	46	29.5 Å²	29.5	25%	0.246	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-96.3	104.7	166.9	-176.7	4.5	0	0	0	109.8	A333 L335 K336 S356	A333-D354 PolarHBondContact O-N 3.46Å; A333-D354 VanDerWaalsContact O-N 3.15Å; L335-D354 CarbonylContact C-O 3.31Å; L335-D354 VanDerWaalsContact C-O 3.27Å; L335-D354 VanDerWaalsContact CA-O 3.25Å; L335-D354 WeakPolarHBondContact CA-O 3.43Å; L335-D354 VanDerWaalsContact CB-O 3.31Å; L335-D354 WeakPolarHBondContact CB-O 3.49Å; L335-D354 PolarHBondContact N-O 2.96Å; K336-D354 PolarHBondContact N-O 2.76Å; D354-S356 WeakPolarHBondContact OD1-CB 3.34Å; D354-S356 PolarHBondContact OD1-N 3.5Å; D354-S356 PolarHBondContact OD1-OG 3.48Å
355	L	95.3	Very high	95.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.152	C	C	.	.			trans	-102.1	17.3	177.1	-73.9	156.4	0	0	0	111.8	L335 L340 G357 C358 I374 F375	L335-L355 HydrophobicContact CB-CD2 3.79Å; L335-L355 HydrophobicContact CB-CG 4.38Å; L335-L355 HydrophobicContact CD1-CD2 3.52Å; L335-L355 HydrophobicContact CD1-CG 4.13Å; L335-L355 HydrophobicContact CG-CD2 4.29Å; L340-L355 HydrophobicContact CD1-CD2 3.95Å; L355-G357 PolarHBondContact O-N 3.35Å; L355-C358 WeakPolarHBondContact O-CB 3.2Å; L355-C358 PolarHBondContact O-N 2.89Å; L355-C358 PolarHBondContact O-SG 3.45Å; L355-I374 CarbonylContact C-O 3.56Å; L355-I374 WeakPolarHBondContact CA-O 3.39Å; L355-I374 WeakPolarHBondContact CB-O 3.46Å; L355-I374 PolarHBondContact N-O 3.4Å; L355-F375 HydrophobicContact CB-CD1 4.14Å; L355-F375 HydrophobicContact CB-CE1 4.23Å; L355-F375 HydrophobicContact CD1-CD1 4.18Å; L355-F375 HydrophobicContact CD1-CE1 3.43Å; L355-F375 VanDerWaalsContact CD1-CE1 3.43Å; L355-F375 HydrophobicContact CD1-CE2 4.49Å; L355-F375 HydrophobicContact CD1-CZ 3.62Å; L355-F375 HydrophobicContact CG-CE1 4.44Å
356	S	95.6	Very high	95.2	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.2	-174.5	-51.2	0	0	0	0	111.8	K336 N337 D354 C358 I374 E376	K336-S356 CarbonylContact C-O 3.53Å; K336-S356 VanDerWaalsContact CA-O 3.26Å; K336-S356 WeakPolarHBondContact CA-O 3.29Å; K336-S356 WeakPolarHBondContact CG-O 3.43Å; N337-S356 PolarHBondContact N-O 3.41Å; D354-S356 WeakPolarHBondContact OD1-CB 3.34Å; D354-S356 PolarHBondContact OD1-N 3.5Å; D354-S356 PolarHBondContact OD1-OG 3.48Å; S356-C358 PolarHBondContact O-N 2.84Å; S356-I374 WeakPolarHBondContact OG-CG2 3.47Å; S356-E376 CarbonylContact C-O 3.43Å; S356-E376 WeakPolarHBondContact CA-O 3.47Å; S356-E376 WeakPolarHBondContact CB-O 2.91Å
357	G	95.8	Very high	95.1	Very high	6 Å²	6	35.4 Å²	35.4	6%	0.062	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	5.5	-178.8	0	0	0	0	0	115.2	L355 E376 E377 L379	L355-G357 PolarHBondContact O-N 3.35Å; G357-E376 PolarHBondContact N-O 3.16Å; G357-E377 WeakPolarHBondContact CA-O 3.44Å; G357-L379 VanDerWaalsContact O-CD1 3.3Å; G357-L379 WeakPolarHBondContact O-CD1 3.43Å
358	C	95.5	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-70.1	153	178.1	-77.2	0	0	0	0	112.9	L335 C338 L355 S356 L360 M378 L379	L335-C358 PolarHBondContact O-SG 2.72Å; C338-C358 VanDerWaalsContact O-CA 3.26Å; C338-C358 WeakPolarHBondContact O-CA 3.3Å; L355-C358 WeakPolarHBondContact O-CB 3.2Å; L355-C358 PolarHBondContact O-N 2.89Å; L355-C358 PolarHBondContact O-SG 3.45Å; S356-C358 PolarHBondContact O-N 2.84Å; C358-L360 HydrophobicContact CB-CG 4.4Å; C358-M378 HydrophobicContact CB-CE 3.83Å; C358-M378 HydrophobicContact CB-SD 4.3Å; C358-M378 VanDerWaalsContact O-CE 3.23Å; C358-M378 WeakPolarHBondContact O-CE 3.46Å; C358-L379 PolarHBondContact O-N 2.76Å; C358-L379 VanDerWaalsContact O-N 3.15Å
359	D	94.7	Very high	94.9	Very high	16 Å²	16	37.9 Å²	37.9	9%	0.086	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-99.5	115.2	161	-170.9	-17.9	0	0	0	109.3	C338 L340 R341 Q361 L379 T380	C338-D359 PolarHBondContact O-N 3.25Å; L340-D359 CarbonylContact C-O 3.59Å; L340-D359 VanDerWaalsContact C-O 3.22Å; L340-D359 VanDerWaalsContact CA-O 3.26Å; L340-D359 WeakPolarHBondContact CA-O 3.37Å; L340-D359 WeakPolarHBondContact CB-O 3.43Å; L340-D359 PolarHBondContact N-O 2.85Å; R341-D359 WeakPolarHBondContact CD-OD2 3.32Å; R341-D359 HydrophobicContact CG-CB 4.05Å; R341-D359 WeakPolarHBondContact CG-OD1 3.45Å; R341-D359 VanDerWaalsContact CG-OD2 3.26Å; R341-D359 WeakPolarHBondContact CG-OD2 3.3Å; R341-D359 IonicContact CZ-OD2 3.64Å; R341-D359 PolarHBondContact N-O 3.3Å; R341-D359 IonicContact NE-OD2 2.67Å; R341-D359 IonicContact NH1-OD2 3.18Å; R341-D359 PolarHBondContact NH1-OD2 3.43Å; D359-Q361 VanDerWaalsContact OD1-CB 3.27Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.37Å; D359-Q361 PolarHBondContact OD1-N 3.03Å; D359-L379 HydrophobicContact CB-CB 4.23Å; D359-L379 HydrophobicContact CB-CD1 3.95Å; D359-T380 PolarHBondContact OD1-OG1 2.76Å
360	L	93.6	Very high	94.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.206	C	C	.	.			trans	-113.6	18.5	179.9	-73.9	172.4	0	0	0	112.1	L340 L345 C358 E362 A363 L365 F375 M378 L382 Q386	L340-L360 HydrophobicContact CB-CD2 3.66Å; L340-L360 HydrophobicContact CD1-CD2 3.9Å; L340-L360 HydrophobicContact CG-CD2 4.44Å; L345-L360 HydrophobicContact CD1-CD2 4.02Å; C358-L360 HydrophobicContact CB-CG 4.4Å; L360-E362 PolarHBondContact O-N 3.12Å; L360-A363 HydrophobicContact CB-CB 4.23Å; L360-A363 HydrophobicContact CD2-CB 3.89Å; L360-A363 VanDerWaalsContact O-CB 3.29Å; L360-A363 WeakPolarHBondContact O-CB 3.25Å; L360-A363 PolarHBondContact O-N 3.03Å; L360-L365 HydrophobicContact CD1-CD1 4.4Å; L360-F375 HydrophobicContact CD1-CD1 4.35Å; L360-F375 HydrophobicContact CD1-CE1 4Å; L360-M378 HydrophobicContact CB-CE 4.26Å; L360-M378 HydrophobicContact CD1-CE 3.5Å; L360-M378 HydrophobicContact CG-CE 3.86Å; L360-L382 HydrophobicContact CB-CD1 4.21Å; L360-L382 HydrophobicContact CD1-CD1 3.75Å; L360-Q386 PolarHBondContact O-NE2 2.78Å
361	Q	92.6	Very high	94.7	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	129.1	178	-176.6	172.4	-2.9	0	0	110.5	R341 G342 D359 A363 T380	R341-Q361 CarbonylContact C-O 3.27Å; R341-Q361 WeakPolarHBondContact CA-O 3.4Å; R341-Q361 HydrophobicContact CG-CB 4.27Å; R341-Q361 VanDerWaalsContact NH2-CD 3.28Å; G342-Q361 PolarHBondContact N-O 2.78Å; D359-Q361 VanDerWaalsContact OD1-CB 3.27Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.37Å; D359-Q361 PolarHBondContact OD1-N 3.03Å; Q361-A363 PolarHBondContact O-N 3.44Å; Q361-T380 HydrophobicContact CB-CG2 4.3Å
362	E	92.1	Very high	94.6	Very high	150 Å²	150	46.4 Å²	46.4	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	7.2	-178.6	-62.7	168.3	-158.1	0	0	115.6	L360	L360-E362 PolarHBondContact O-N 3.12Å
363	A	93.8	Very high	94.5	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	24%	0.239	C	C	.	.			trans	-66	142.6	172.9	0	0	0	0	0	111	A343 L345 L360 Q361 Q386	A343-A363 CarbonylContact O-C 3.56Å; A343-A363 WeakPolarHBondContact O-CA 3.44Å; L345-A363 HydrophobicContact CD1-CB 4.42Å; L360-A363 HydrophobicContact CB-CB 4.23Å; L360-A363 HydrophobicContact CD2-CB 3.89Å; L360-A363 VanDerWaalsContact O-CB 3.29Å; L360-A363 WeakPolarHBondContact O-CB 3.25Å; L360-A363 PolarHBondContact O-N 3.03Å; Q361-A363 PolarHBondContact O-N 3.44Å; A363-Q386 WeakPolarHBondContact O-CB 3.37Å; A363-Q386 WeakPolarHBondContact O-CG 3.38Å; A363-Q386 PolarHBondContact O-NE2 3.42Å; A363-Q386 VanDerWaalsContact O-NE2 3.09Å
364	N	94.2	Very high	94.4	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-103.4	105.5	177	174.8	9.3	0	0	0	110.2	A343 L345 A346 R366	A343-N364 PolarHBondContact O-N 3.18Å; L345-N364 CarbonylContact C-O 3.59Å; L345-N364 WeakPolarHBondContact CA-O 3.4Å; L345-N364 WeakPolarHBondContact CB-O 3.44Å; L345-N364 PolarHBondContact N-O 2.84Å; A346-N364 PolarHBondContact N-O 2.81Å; A346-N364 VanDerWaalsContact N-O 3.15Å; N364-R366 VanDerWaalsContact OD1-CB 3.25Å; N364-R366 WeakPolarHBondContact OD1-CB 3.26Å; N364-R366 PolarHBondContact OD1-N 3.06Å; N364-R366 VanDerWaalsContact OD1-N 3.1Å
365	L	93.6	Very high	94.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.26	C	S	.	.			trans	-103.2	16.3	-179.2	-75.4	141.9	0	0	0	113	L345 L350 L360 G367 S368 L382 Q386	L345-L365 HydrophobicContact CB-CD2 3.95Å; L345-L365 HydrophobicContact CB-CG 4.16Å; L345-L365 HydrophobicContact CD1-CD2 3.74Å; L345-L365 HydrophobicContact CD1-CG 4.01Å; L345-L365 HydrophobicContact CG-CD2 4.46Å; L350-L365 HydrophobicContact CD1-CD2 3.51Å; L360-L365 HydrophobicContact CD1-CD1 4.4Å; L365-G367 PolarHBondContact O-N 3.39Å; L365-S368 WeakPolarHBondContact O-CB 3.45Å; L365-S368 PolarHBondContact O-N 3.18Å; L365-S368 PolarHBondContact O-OG 2.82Å; L365-L382 HydrophobicContact CD1-CD1 3.57Å; L365-Q386 CarbonylContact C-O 3.29Å; L365-Q386 VanDerWaalsContact CA-O 3.29Å; L365-Q386 WeakPolarHBondContact CA-O 3.28Å; L365-Q386 VanDerWaalsContact CB-O 3.32Å; L365-Q386 WeakPolarHBondContact CB-O 3.49Å; L365-Q386 PolarHBondContact N-O 3.44Å
366	R	92.7	Very high	94.1	Very high	144 Å²	144	54.3 Å²	54.3	54%	0.543	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	125.4	-176.5	175.9	161.5	-168.7	170.9	10	111.9	A346 G347 N364 S368 Q386 V388 R389	A346-R366 CarbonylContact C-O 3.14Å; A346-R366 WeakPolarHBondContact CA-O 3.39Å; G347-R366 PolarHBondContact N-O 2.93Å; N364-R366 VanDerWaalsContact OD1-CB 3.25Å; N364-R366 WeakPolarHBondContact OD1-CB 3.26Å; N364-R366 PolarHBondContact OD1-N 3.06Å; N364-R366 VanDerWaalsContact OD1-N 3.1Å; R366-S368 PolarHBondContact O-N 3.02Å; R366-Q386 PolarHBondContact N-O 2.89Å; R366-V388 VanDerWaalsContact CG-O 3.27Å; R366-V388 WeakPolarHBondContact CG-O 3.38Å; R366-R389 PolarHBondContact NE-OXT 2.77Å; R366-R389 PolarHBondContact NH2-O 3.27Å; R366-R389 PolarHBondContact NH2-OXT 3.46Å
367	G	92.6	Very high	93.9	Very high	42 Å²	42	61.4 Å²	61.4	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	9.9	178.5	0	0	0	0	0	115	L365	L365-G367 PolarHBondContact O-N 3.39Å
368	S	94.7	Very high	93.6	Very high	24 Å²	24	63 Å²	63	17%	0.168	33%	0.327	C	S	.	.			trans	-71.1	148.6	174.2	62.5	0	0	0	0	111.9	T348 L365 R366	T348-S368 CarbonylContact O-C 3.3Å; T348-S368 WeakPolarHBondContact O-CA 3.31Å; T348-S368 WeakPolarHBondContact O-CB 3.37Å; T348-S368 WeakPolarHBondContact OG1-CB 3.39Å; L365-S368 WeakPolarHBondContact O-CB 3.45Å; L365-S368 PolarHBondContact O-N 3.18Å; L365-S368 PolarHBondContact O-OG 2.82Å; R366-S368 PolarHBondContact O-N 3.02Å
369	N	95.1	Very high	93.1	Very high	63 Å²	63	69 Å²	69	34%	0.337	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-92.2	102.1	173.1	175.4	25.5	0	0	0	109.8	T348 D349 L350 E351 K371	T348-N369 PolarHBondContact O-N 3.3Å; D349-N369 PolarHBondContact OD1-ND2 2.85Å; L350-N369 CarbonylContact C-O 3.32Å; L350-N369 WeakPolarHBondContact CA-O 3.43Å; L350-N369 WeakPolarHBondContact CB-O 3.48Å; L350-N369 PolarHBondContact N-O 2.86Å; E351-N369 PolarHBondContact N-O 3.38Å; N369-K371 WeakPolarHBondContact OD1-CB 3.36Å; N369-K371 PolarHBondContact OD1-N 3.35Å
370	V	93.9	Very high	92.5	Very high	63 Å²	63	69.6 Å²	69.6	38%	0.382	36%	0.363	S	S	.	.			trans	-101	21.3	-179.4	-65.2	0	0	0	0	113.2	L350 G372 A373 F375	L350-V370 HydrophobicContact CB-CG1 4.34Å; L350-V370 HydrophobicContact CD1-CG1 4.06Å; V370-G372 PolarHBondContact O-N 3.01Å; V370-A373 HydrophobicContact CB-CB 4.23Å; V370-A373 WeakPolarHBondContact O-CB 3.43Å; V370-A373 PolarHBondContact O-N 3.28Å; V370-A373 VanDerWaalsContact O-N 3.12Å; V370-F375 HydrophobicContact CB-CE2 4.34Å; V370-F375 HydrophobicContact CB-CZ 4.39Å; V370-F375 HydrophobicContact CG1-CZ 4.14Å
371	K	95.2	Very high	91.7	Very high	142 Å²	142	74.7 Å²	74.7	62%	0.617	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.1	-178.8	-178.2	-174.2	176	-168.6	0	110.6	E351 N352 N369 A373	E351-K371 CarbonylContact C-O 3.18Å; E351-K371 VanDerWaalsContact CA-O 3.26Å; E351-K371 WeakPolarHBondContact CA-O 3.38Å; E351-K371 HydrophobicContact CG-CB 4.37Å; E351-K371 WeakPolarHBondContact CG-O 3.15Å; N352-K371 PolarHBondContact N-O 2.92Å; N369-K371 WeakPolarHBondContact OD1-CB 3.36Å; N369-K371 PolarHBondContact OD1-N 3.35Å; K371-A373 PolarHBondContact O-N 3.19Å
372	G	95.3	Very high	91	Very high	49 Å²	49	74.4 Å²	74.4	51%	0.505	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	7.8	179.6	0	0	0	0	0	114.5	N352 V370	N352-G372 WeakPolarHBondContact CA-O 3.09Å; V370-G372 PolarHBondContact O-N 3.01Å
373	A	95.1	Very high	90.1	Very high	19 Å²	19	73.3 Å²	73.3	16%	0.157	39%	0.391	C	S	.	.			trans	-70.1	141.7	173.8	0	0	0	0	0	110.9	C353 V370 K371 F375	C353-A373 CarbonylContact O-C 3.33Å; C353-A373 VanDerWaalsContact O-CA 3.29Å; C353-A373 WeakPolarHBondContact O-CA 3.23Å; V370-A373 HydrophobicContact CB-CB 4.23Å; V370-A373 WeakPolarHBondContact O-CB 3.43Å; V370-A373 PolarHBondContact O-N 3.28Å; V370-A373 VanDerWaalsContact O-N 3.12Å; K371-A373 PolarHBondContact O-N 3.19Å; A373-F375 HydrophobicContact CB-CD2 4.39Å; A373-F375 HydrophobicContact CB-CE2 3.66Å; A373-F375 HydrophobicContact CB-CZ 4.16Å
374	I	94.6	Very high	88.6	Confident	74 Å²	74	80.3 Å²	80.3	38%	0.379	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-100.8	127.3	-178.1	-54.5	172.5	0	0	0	108.7	C353 L355 S356 E376	C353-I374 PolarHBondContact O-N 3.47Å; L355-I374 CarbonylContact C-O 3.56Å; L355-I374 WeakPolarHBondContact CA-O 3.39Å; L355-I374 WeakPolarHBondContact CB-O 3.46Å; L355-I374 PolarHBondContact N-O 3.4Å; S356-I374 WeakPolarHBondContact OG-CG2 3.47Å; I374-E376 HydrophobicContact CG2-CB 4.32Å; I374-E376 HydrophobicContact CG2-CG 3.76Å
375	F	91.9	Very high	87.3	Confident	69 Å²	69	81.7 Å²	81.7	30%	0.303	44%	0.44	S	S	.	.			trans	-125	57.8	-179.6	-65	-88.7	0	0	0	110.6	L355 L360 V370 A373 M378	L355-F375 HydrophobicContact CB-CD1 4.14Å; L355-F375 HydrophobicContact CB-CE1 4.23Å; L355-F375 HydrophobicContact CD1-CD1 4.18Å; L355-F375 HydrophobicContact CD1-CE1 3.43Å; L355-F375 VanDerWaalsContact CD1-CE1 3.43Å; L355-F375 HydrophobicContact CD1-CE2 4.49Å; L355-F375 HydrophobicContact CD1-CZ 3.62Å; L355-F375 HydrophobicContact CG-CE1 4.44Å; L360-F375 HydrophobicContact CD1-CD1 4.35Å; L360-F375 HydrophobicContact CD1-CE1 4Å; V370-F375 HydrophobicContact CB-CE2 4.34Å; V370-F375 HydrophobicContact CB-CZ 4.39Å; V370-F375 HydrophobicContact CG1-CZ 4.14Å; A373-F375 HydrophobicContact CB-CD2 4.39Å; A373-F375 HydrophobicContact CB-CE2 3.66Å; A373-F375 HydrophobicContact CB-CZ 4.16Å; F375-M378 HydrophobicContact CB-CG 4.13Å; F375-M378 HydrophobicContact CB-SD 4.22Å; F375-M378 HydrophobicContact CD1-CE 4.44Å; F375-M378 HydrophobicContact CD1-SD 4.08Å
376	E	93.4	Very high	86.2	Confident	127 Å²	127	82.6 Å²	82.6	59%	0.593	44%	0.444	S	S	*	.			trans	-90.9	152	178	-66.5	179.9	179.6	0	0	111.1	S356 G357 I374 M378	S356-E376 CarbonylContact C-O 3.43Å; S356-E376 WeakPolarHBondContact CA-O 3.47Å; S356-E376 WeakPolarHBondContact CB-O 2.91Å; G357-E376 PolarHBondContact N-O 3.16Å; I374-E376 HydrophobicContact CG2-CB 4.32Å; I374-E376 HydrophobicContact CG2-CG 3.76Å; E376-M378 PolarHBondContact O-N 3.4Å
377	E	91.8	Very high	84.8	Confident	155 Å²	155	77.9 Å²	77.9	72%	0.724	43%	0.433	S	S	*	.	S	Bend	trans	53.1	27.8	172.8	-56.2	-175.9	162.2	0	0	115	G357 L379	G357-E377 WeakPolarHBondContact CA-O 3.44Å; E377-L379 PolarHBondContact O-N 3.03Å
378	M	89.5	Confident	82.9	Confident	41 Å²	41	80.2 Å²	80.2	20%	0.202	44%	0.439	C	S	.	.			trans	-56.6	130.7	-178.9	-64	-60.7	-58.1	0	0	111.2	C358 L360 F375 E376 T380	C358-M378 HydrophobicContact CB-CE 3.83Å; C358-M378 HydrophobicContact CB-SD 4.3Å; C358-M378 VanDerWaalsContact O-CE 3.23Å; C358-M378 WeakPolarHBondContact O-CE 3.46Å; L360-M378 HydrophobicContact CB-CE 4.26Å; L360-M378 HydrophobicContact CD1-CE 3.5Å; L360-M378 HydrophobicContact CG-CE 3.86Å; F375-M378 HydrophobicContact CB-CG 4.13Å; F375-M378 HydrophobicContact CB-SD 4.22Å; F375-M378 HydrophobicContact CD1-CE 4.44Å; F375-M378 HydrophobicContact CD1-SD 4.08Å; E376-M378 PolarHBondContact O-N 3.4Å; M378-T380 PolarHBondContact O-N 3.3Å
379	L	84.4	Confident	80.8	Confident	126 Å²	126	90.9 Å²	90.9	66%	0.66	48%	0.475	S	S	*	.	S	Bend	trans	-62	-33.3	178	-80.7	156.2	0	0	0	111.9	G357 C358 D359 E377	G357-L379 VanDerWaalsContact O-CD1 3.3Å; G357-L379 WeakPolarHBondContact O-CD1 3.43Å; C358-L379 PolarHBondContact O-N 2.76Å; C358-L379 VanDerWaalsContact O-N 3.15Å; D359-L379 HydrophobicContact CB-CB 4.23Å; D359-L379 HydrophobicContact CB-CD1 3.95Å; E377-L379 PolarHBondContact O-N 3.03Å
380	T	81.7	Confident	80.1	Confident	28 Å²	28	92.3 Å²	92.3	17%	0.172	48%	0.482	C	S	.	.	S	Bend	trans	-133.6	139.6	176.7	59.8	0	0	0	0	110.5	D359 Q361 M378	D359-T380 PolarHBondContact OD1-OG1 2.76Å; Q361-T380 HydrophobicContact CB-CG2 4.3Å; M378-T380 PolarHBondContact O-N 3.3Å
381	P	77.5	Confident	79.3	Confident	107 Å²	107	93.8 Å²	93.8	70%	0.695	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59.5	139.4	175.4	-20.9	31.5	0	0	0	112	H383	P381-H383 PolarHBondContact O-N 3.26Å
382	L	77.8	Confident	78.5	Confident	68 Å²	68	91.1 Å²	91.1	36%	0.356	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-73.1	118.7	173.2	-163.6	81.1	0	0	0	109.8	L360 L365	L360-L382 HydrophobicContact CB-CD1 4.21Å; L360-L382 HydrophobicContact CD1-CD1 3.75Å; L365-L382 HydrophobicContact CD1-CD1 3.57Å
383	H	74	Confident	77.5	Confident	127 Å²	127	93.6 Å²	93.6	59%	0.588	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-82.9	137.2	176.3	-93.6	-77.1	0	0	0	111.3	P381 S385 Q386	P381-H383 PolarHBondContact O-N 3.26Å; H383-S385 PolarHBondContact O-N 2.93Å; H383-S385 VanDerWaalsContact O-N 3.1Å; H383-Q386 HydrophobicContact CB-CG 4.14Å; H383-Q386 VanDerWaalsContact O-CB 3.25Å; H383-Q386 WeakPolarHBondContact O-CB 3.34Å; H383-Q386 PolarHBondContact O-N 2.89Å
384	M	61.6	Low	76.4	Confident	148 Å²	148	98.3 Å²	98.3	73%	0.729	50%	0.499	S	S	*	.	H	α-helix	trans	-55.5	-30.7	177.9	-71.2	-65.4	-70.7	0	0	113.3	Q386 S387 V388	M384-Q386 PolarHBondContact O-N 3.3Å; M384-S387 PolarHBondContact O-N 2.79Å; M384-S387 VanDerWaalsContact O-N 3.14Å; M384-S387 PolarHBondContact O-OG 3.44Å; M384-S387 VanDerWaalsContact O-OG 3.12Å; M384-V388 WeakPolarHBondContact O-CG2 3.37Å; M384-V388 PolarHBondContact O-N 3.2Å
385	S	68.1	Low	75.2	Confident	97 Å²	97	99.9 Å²	99.9	68%	0.678	51%	0.507	S	S	*	.	H	α-helix	trans	-61.4	-24.3	175.6	53.7	0	0	0	0	113.5	H383	H383-S385 PolarHBondContact O-N 2.93Å; H383-S385 VanDerWaalsContact O-N 3.1Å
386	Q	68.6	Low	74	Confident	21 Å²	21	102.1 Å²	102.1	10%	0.098	52%	0.521	C	S	.	.	H	α-helix	trans	-78.4	-22.2	179.2	-56.9	179.6	-73.2	0	0	112.1	L360 A363 L365 R366 H383 M384	L360-Q386 PolarHBondContact O-NE2 2.78Å; A363-Q386 WeakPolarHBondContact O-CB 3.37Å; A363-Q386 WeakPolarHBondContact O-CG 3.38Å; A363-Q386 PolarHBondContact O-NE2 3.42Å; A363-Q386 VanDerWaalsContact O-NE2 3.09Å; L365-Q386 CarbonylContact C-O 3.29Å; L365-Q386 VanDerWaalsContact CA-O 3.29Å; L365-Q386 WeakPolarHBondContact CA-O 3.28Å; L365-Q386 VanDerWaalsContact CB-O 3.32Å; L365-Q386 WeakPolarHBondContact CB-O 3.49Å; L365-Q386 PolarHBondContact N-O 3.44Å; R366-Q386 PolarHBondContact N-O 2.89Å; H383-Q386 HydrophobicContact CB-CG 4.14Å; H383-Q386 VanDerWaalsContact O-CB 3.25Å; H383-Q386 WeakPolarHBondContact O-CB 3.34Å; H383-Q386 PolarHBondContact O-N 2.89Å; M384-Q386 PolarHBondContact O-N 3.3Å
387	S	64.9	Low	72.5	Confident	46 Å²	46	100.2 Å²	100.2	32%	0.322	52%	0.516	S	S	.	.	H	α-helix	trans	-112.7	-2.9	-172.4	59.1	0	0	0	0	114.5	M384 R389	M384-S387 PolarHBondContact O-N 2.79Å; M384-S387 VanDerWaalsContact O-N 3.14Å; M384-S387 PolarHBondContact O-OG 3.44Å; M384-S387 VanDerWaalsContact O-OG 3.12Å; S387-R389 PolarHBondContact O-N 3.43Å
388	V	53	Low	70.9	Confident	90 Å²	90	95.6 Å²	95.6	55%	0.545	50%	0.498	S	S	.	.			trans	-63.3	122.8	-177.5	-167.4	0	0	0	0	110.6	R366 M384	R366-V388 VanDerWaalsContact CG-O 3.27Å; R366-V388 WeakPolarHBondContact CG-O 3.38Å; M384-V388 WeakPolarHBondContact O-CG2 3.37Å; M384-V388 PolarHBondContact O-N 3.2Å
389	R	49.3	Very low	69.2	Low	248 Å²	248	100.5 Å²	100.5	94%	0.936	53%	0.525	S	S	*	.			trans	-59.3	0	-175.6	-149.4	172	-176.9	-177	0.2	112.8	R366 S387	R366-R389 PolarHBondContact NE-OXT 2.77Å; R366-R389 PolarHBondContact NH2-O 3.27Å; R366-R389 PolarHBondContact NH2-OXT 3.46Å; S387-R389 PolarHBondContact O-N 3.43Å

Retrieved 389 of 389 residues in 267.1 ms (Link to these results)

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