A0A024R3Y4_HUMAN Loading...

CASP8 and FADD-like apoptosis regulator

Apoptosis regulator protein which may function as a crucial link between cell survival and cell death pathways in mammalian cells. Acts as an inhibitor of TNFRSF6 mediated apoptosis. A proteolytic fragment (p43) is likely retained in the death-inducing signaling complex (DISC) thereby blocking further recruitment and processing of caspase-8 at the complex. Full length and shorter isoforms have been shown either to induce apoptosis or to reduce TNFRSF-triggered apoptosis. Lacks enzymatic (caspase) activity.

AlphaFold DB (O15519), UniProt , Accession A0A024R3Y4, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 480 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	71.2	Confident	86.2	Confident	75 Å²	75	61.7 Å²	61.7	37%	0.369	32%	0.324	S	S	.	.				0	130.9	0	-175.5	-175	-62.4	0	0	107.6	V5 I6 L50 S51 L55	M1-V5 HydrophobicContact CG-CB 4.43Å; M1-V5 HydrophobicContact CG-CG1 4.21Å; M1-I6 HydrophobicContact SD-CD1 4.13Å; M1-I6 HydrophobicContact SD-CG1 3.89Å; M1-L50 HydrophobicContact CE-CD2 3.99Å; M1-L50 HydrophobicContact CE-CG 3.79Å; M1-L50 HydrophobicContact SD-CD2 3.67Å; M1-L50 HydrophobicContact SD-CG 4.16Å; M1-S51 WeakPolarHBondContact CE-O 3.45Å; M1-L55 HydrophobicContact CE-CB 3.6Å; M1-L55 HydrophobicContact CE-CD2 3.76Å; M1-L55 HydrophobicContact CE-CG 4.32Å; M1-L55 HydrophobicContact SD-CB 4.43Å; M1-L55 HydrophobicContact SD-CD2 3.65Å
2	S	80.7	Confident	86.6	Confident	59 Å²	59	58.5 Å²	58.5	41%	0.413	31%	0.312	S	S	.	.			trans	-79.4	149	-178.9	57.3	0	0	0	0	111.1	E4 V5 I6	S2-E4 PolarHBondContact O-N 3.29Å; S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.15Å; S2-V5 WeakPolarHBondContact OG-CG2 3.46Å; S2-V5 PolarHBondContact OG-N 3.32Å; S2-I6 PolarHBondContact O-N 2.93Å
3	A	82.8	Confident	87	Confident	53 Å²	53	54.6 Å²	54.6	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-30.8	172.5	0	0	0	0	0	112.2	V5 I6 H7	A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 2.89Å; A3-I6 PolarHBondContact O-N 3.3Å; A3-H7 PolarHBondContact O-N 3.24Å
4	E	86.2	Confident	87.3	Confident	134 Å²	134	56.5 Å²	56.5	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-62	-38.6	175.6	-168.8	171.8	-173.1	0	0	112.8	S2 H7 Q8	S2-E4 PolarHBondContact O-N 3.29Å; E4-H7 PolarHBondContact O-N 3.46Å; E4-Q8 WeakPolarHBondContact O-CG 3.39Å; E4-Q8 PolarHBondContact O-N 3.08Å
5	V	88.3	Confident	87.5	Confident	31 Å²	31	59.3 Å²	59.3	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-40.5	175.5	164.4	0	0	0	0	111.2	M1 S2 A3 Q8 V9 L55 I71 L72	M1-V5 HydrophobicContact CG-CB 4.43Å; M1-V5 HydrophobicContact CG-CG1 4.21Å; S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.15Å; S2-V5 WeakPolarHBondContact OG-CG2 3.46Å; S2-V5 PolarHBondContact OG-N 3.32Å; A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 2.89Å; V5-Q8 PolarHBondContact O-N 3.11Å; V5-V9 WeakPolarHBondContact O-CG2 3.22Å; V5-V9 PolarHBondContact O-N 3.13Å; V5-L55 HydrophobicContact CG1-CD2 3.85Å; V5-I71 HydrophobicContact CB-CG2 4.46Å; V5-I71 HydrophobicContact CG1-CG2 3.73Å; V5-I71 HydrophobicContact CG2-CG2 4.31Å; V5-L72 HydrophobicContact CG1-CD2 4.37Å
6	I	88.9	Confident	87.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-44.2	177.4	-71.5	172	0	0	0	110.4	M1 S2 A3 V9 E10 R38 L41 D42 R45 L50	M1-I6 HydrophobicContact SD-CD1 4.13Å; M1-I6 HydrophobicContact SD-CG1 3.89Å; S2-I6 PolarHBondContact O-N 2.93Å; A3-I6 PolarHBondContact O-N 3.3Å; I6-V9 PolarHBondContact O-N 3.39Å; I6-E10 PolarHBondContact O-N 3.09Å; I6-R38 HydrophobicContact CG2-CG 4.23Å; I6-L41 HydrophobicContact CB-CB 4.49Å; I6-L41 HydrophobicContact CD1-CB 4.01Å; I6-L41 HydrophobicContact CG1-CB 4.08Å; I6-L41 HydrophobicContact CG2-CB 3.66Å; I6-L41 HydrophobicContact CG2-CD1 4.01Å; I6-L41 HydrophobicContact CG2-CG 4.49Å; I6-D42 WeakPolarHBondContact CD1-OD1 3.45Å; I6-R45 HydrophobicContact CD1-CB 4.3Å; I6-L50 HydrophobicContact CD1-CD2 4.32Å
7	H	88.1	Confident	87.7	Confident	71 Å²	71	61.4 Å²	61.4	33%	0.329	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-43.8	178.2	-174.5	40.3	0	0	0	112.4	A3 E4 V9 E10 E11	A3-H7 PolarHBondContact O-N 3.24Å; E4-H7 PolarHBondContact O-N 3.46Å; H7-V9 VanDerWaalsContact C-N 3.28Å; H7-V9 PolarHBondContact O-N 2.75Å; H7-E10 PolarHBondContact O-N 2.7Å; H7-E11 IonicContact CE1-OE1 3.94Å; H7-E11 PolarHBondContact O-N 2.83Å
8	Q	90.1	Very high	87.9	Confident	83 Å²	83	60.9 Å²	60.9	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-33.8	176	-74.1	178.3	13.7	0	0	113.3	E4 V5 A12 I71	E4-Q8 WeakPolarHBondContact O-CG 3.39Å; E4-Q8 PolarHBondContact O-N 3.08Å; V5-Q8 PolarHBondContact O-N 3.11Å; Q8-A12 VanDerWaalsContact O-CB 3.3Å; Q8-A12 WeakPolarHBondContact O-CB 2.96Å; Q8-A12 PolarHBondContact O-N 2.79Å; Q8-I71 HydrophobicContact CB-CD1 4.11Å
9	V	90.3	Very high	88	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-51.5	173.5	167.8	0	0	0	0	109.6	V5 I6 H7 E11 A12 L13 L41 L55 L59 I71	V5-V9 WeakPolarHBondContact O-CG2 3.22Å; V5-V9 PolarHBondContact O-N 3.13Å; I6-V9 PolarHBondContact O-N 3.39Å; H7-V9 VanDerWaalsContact C-N 3.28Å; H7-V9 PolarHBondContact O-N 2.75Å; V9-E11 PolarHBondContact O-N 2.66Å; V9-A12 PolarHBondContact O-N 3.27Å; V9-A12 VanDerWaalsContact O-N 3.09Å; V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 2.8Å; V9-L13 PolarHBondContact O-N 3.5Å; V9-L41 HydrophobicContact CG1-CD1 4.42Å; V9-L55 HydrophobicContact CG2-CD2 4.34Å; V9-L59 HydrophobicContact CG1-CD2 3.88Å; V9-L59 HydrophobicContact CG2-CD1 4.28Å; V9-I71 HydrophobicContact CG2-CD1 3.72Å; V9-I71 HydrophobicContact CG2-CG2 4.47Å
10	E	90	Very high	88.1	Confident	35 Å²	35	59.9 Å²	59.9	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-40	-176	-174.9	-84.6	150.8	0	0	113.2	I6 H7 A12 K18 V37 R38	I6-E10 PolarHBondContact O-N 3.09Å; H7-E10 PolarHBondContact O-N 2.7Å; E10-A12 VanDerWaalsContact C-N 3.27Å; E10-A12 PolarHBondContact O-N 3.28Å; E10-K18 WeakPolarHBondContact O-CE 3.26Å; E10-K18 PolarHBondContact O-NZ 3.44Å; E10-K18 VanDerWaalsContact O-NZ 3.13Å; E10-K18 IonicContact OE1-NZ 3.18Å; E10-K18 PolarHBondContact OE1-NZ 2.96Å; E10-V37 HydrophobicContact CG-CB 4.16Å; E10-V37 HydrophobicContact CG-CG1 4.46Å; E10-R38 HydrophobicContact CB-CB 4.31Å; E10-R38 HydrophobicContact CG-CB 3.99Å
11	E	90.9	Very high	88.3	Confident	138 Å²	138	57 Å²	57	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-28.9	175.5	-79.4	-157.6	134.8	0	0	113.2	H7 V9	H7-E11 IonicContact CE1-OE1 3.94Å; H7-E11 PolarHBondContact O-N 2.83Å; V9-E11 PolarHBondContact O-N 2.66Å
12	A	91.9	Very high	89.2	Confident	23 Å²	23	55.8 Å²	55.8	19%	0.19	30%	0.296	C	S	.	.	H	α-helix	trans	-86.1	-14.6	-175.1	0	0	0	0	0	113.8	Q8 V9 E10 R64 L67	Q8-A12 VanDerWaalsContact O-CB 3.3Å; Q8-A12 WeakPolarHBondContact O-CB 2.96Å; Q8-A12 PolarHBondContact O-N 2.79Å; V9-A12 PolarHBondContact O-N 3.27Å; V9-A12 VanDerWaalsContact O-N 3.09Å; E10-A12 VanDerWaalsContact C-N 3.27Å; E10-A12 PolarHBondContact O-N 3.28Å; A12-R64 VanDerWaalsContact O-CZ 3.32Å; A12-R64 PolarHBondContact O-NH1 3.31Å; A12-R64 PolarHBondContact O-NH2 3.38Å; A12-R64 VanDerWaalsContact O-NH2 3.08Å; A12-L67 HydrophobicContact CB-CD1 3.86Å; A12-L67 HydrophobicContact CB-CD2 3.6Å; A12-L67 HydrophobicContact CB-CG 4.39Å
13	L	91.7	Very high	89.7	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.042	28%	0.279	C	S	.	.	S	Bend	trans	-84.4	141	176.9	-63.1	175.5	0	0	0	110.6	V9 E17 K18 L21 V37 V62 R64 L67	V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 2.8Å; V9-L13 PolarHBondContact O-N 3.5Å; L13-E17 WeakPolarHBondContact CA-OE2 3.29Å; L13-E17 HydrophobicContact CB-CB 4.06Å; L13-E17 HydrophobicContact CD2-CB 4.06Å; L13-K18 HydrophobicContact CB-CG 3.85Å; L13-K18 WeakPolarHBondContact O-CE 3.28Å; L13-L21 HydrophobicContact CD1-CD1 3.69Å; L13-V37 HydrophobicContact CD1-CG1 4.42Å; L13-V62 HydrophobicContact CD2-CG1 4.23Å; L13-R64 HydrophobicContact CD2-CG 3.93Å; L13-L67 HydrophobicContact CD2-CD1 3.88Å
14	D	91.6	Very high	90.2	Very high	81 Å²	81	51 Å²	51	43%	0.433	26%	0.258	S	S	.	.			trans	-80.6	179.9	168.9	69.3	39	0	0	0	112.1	D16 E17 K18	D14-D16 PolarHBondContact OD1-N 2.9Å; D14-E17 PolarHBondContact N-OE2 3.01Å; D14-E17 WeakPolarHBondContact OD1-CB 3.39Å; D14-E17 VanDerWaalsContact OD1-CG 3.22Å; D14-E17 WeakPolarHBondContact OD1-CG 3.49Å; D14-E17 PolarHBondContact OD1-N 2.79Å; D14-K18 WeakPolarHBondContact O-CB 3.49Å; D14-K18 WeakPolarHBondContact O-CG 3.3Å; D14-K18 PolarHBondContact O-N 3.17Å
15	T	89	Confident	90.3	Very high	98 Å²	98	44.7 Å²	44.7	60%	0.601	23%	0.229	S	C	*	.	H	α-helix	trans	-62.4	-45.4	-177.4	-51.1	0	0	0	0	112.4	E17 K18 E19	T15-E17 VanDerWaalsContact C-N 3.34Å; T15-E17 PolarHBondContact O-N 2.98Å; T15-K18 PolarHBondContact O-N 3.31Å; T15-E19 WeakPolarHBondContact O-CG 3.39Å; T15-E19 PolarHBondContact O-N 2.87Å
16	D	87.1	Confident	90.2	Very high	122 Å²	122	47.6 Å²	47.6	65%	0.652	24%	0.236	S	C	*	.	H	α-helix	trans	-68.1	-39.1	-177	-64.6	-13	0	0	0	110.2	D14 E19 M20	D14-D16 PolarHBondContact OD1-N 2.9Å; D16-E19 PolarHBondContact O-N 3.01Å; D16-M20 PolarHBondContact O-N 3.37Å
17	E	91.6	Very high	89.9	Confident	32 Å²	32	50.3 Å²	50.3	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-39.7	175	-71	172.8	161.2	0	0	112.1	L13 D14 T15 M20 L21 V62 R64	L13-E17 WeakPolarHBondContact CA-OE2 3.29Å; L13-E17 HydrophobicContact CB-CB 4.06Å; L13-E17 HydrophobicContact CD2-CB 4.06Å; D14-E17 PolarHBondContact N-OE2 3.01Å; D14-E17 WeakPolarHBondContact OD1-CB 3.39Å; D14-E17 VanDerWaalsContact OD1-CG 3.22Å; D14-E17 WeakPolarHBondContact OD1-CG 3.49Å; D14-E17 PolarHBondContact OD1-N 2.79Å; T15-E17 VanDerWaalsContact C-N 3.34Å; T15-E17 PolarHBondContact O-N 2.98Å; E17-M20 PolarHBondContact O-N 2.73Å; E17-L21 WeakPolarHBondContact O-CB 3.44Å; E17-L21 PolarHBondContact O-N 3.35Å; E17-V62 HydrophobicContact CB-CG1 3.72Å; E17-V62 HydrophobicContact CG-CG1 3.8Å; E17-R64 WeakPolarHBondContact OE1-CD 3.22Å; E17-R64 WeakPolarHBondContact OE1-CG 3.18Å; E17-R64 IonicContact OE1-NH1 3.56Å; E17-R64 PolarHBondContact OE1-NH1 3.27Å; E17-R64 IonicContact OE2-CZ 2.92Å; E17-R64 IonicContact OE2-NH1 2.93Å; E17-R64 PolarHBondContact OE2-NH1 2.88Å
18	K	91.8	Very high	89.4	Confident	53 Å²	53	47.8 Å²	47.8	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-45.4	174.7	-74.3	175.5	-163.8	-164.6	0	111.3	E10 L13 D14 T15 M20 L21 L22 V37	E10-K18 WeakPolarHBondContact O-CE 3.26Å; E10-K18 PolarHBondContact O-NZ 3.44Å; E10-K18 VanDerWaalsContact O-NZ 3.13Å; E10-K18 IonicContact OE1-NZ 3.18Å; E10-K18 PolarHBondContact OE1-NZ 2.96Å; L13-K18 HydrophobicContact CB-CG 3.85Å; L13-K18 WeakPolarHBondContact O-CE 3.28Å; D14-K18 WeakPolarHBondContact O-CB 3.49Å; D14-K18 WeakPolarHBondContact O-CG 3.3Å; D14-K18 PolarHBondContact O-N 3.17Å; T15-K18 PolarHBondContact O-N 3.31Å; K18-M20 VanDerWaalsContact C-N 3.33Å; K18-M20 PolarHBondContact O-N 3.16Å; K18-L21 PolarHBondContact O-N 3.41Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 2.79Å; K18-V37 HydrophobicContact CB-CG2 3.7Å; K18-V37 HydrophobicContact CG-CB 4.49Å; K18-V37 HydrophobicContact CG-CG2 3.83Å
19	E	89.6	Confident	88.6	Confident	85 Å²	85	44.2 Å²	44.2	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-42.7	176.6	-74.4	-174.4	177.5	0	0	111.7	T15 D16 L21 L22 F23	T15-E19 WeakPolarHBondContact O-CG 3.39Å; T15-E19 PolarHBondContact O-N 2.87Å; D16-E19 PolarHBondContact O-N 3.01Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 2.71Å; E19-L22 PolarHBondContact O-N 2.7Å; E19-F23 WeakPolarHBondContact O-CB 3.41Å; E19-F23 PolarHBondContact O-N 3.02Å
20	M	91	Very high	87.5	Confident	16 Å²	16	50.6 Å²	50.6	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-40.1	177.2	-169.6	160.9	78.9	0	0	112.1	D16 E17 K18 F23 L24 R61 V62 A98 E102 L132	D16-M20 PolarHBondContact O-N 3.37Å; E17-M20 PolarHBondContact O-N 2.73Å; K18-M20 VanDerWaalsContact C-N 3.33Å; K18-M20 PolarHBondContact O-N 3.16Å; M20-F23 PolarHBondContact O-N 2.69Å; M20-L24 HydrophobicContact CG-CD1 4.3Å; M20-L24 HydrophobicContact CG-CG 4.5Å; M20-L24 WeakPolarHBondContact O-CB 3.27Å; M20-L24 VanDerWaalsContact O-CG 3.26Å; M20-L24 WeakPolarHBondContact O-CG 3.24Å; M20-L24 PolarHBondContact O-N 3.13Å; M20-R61 WeakPolarHBondContact CE-O 3.34Å; M20-V62 VanDerWaalsContact CE-CA 3.42Å; M20-V62 HydrophobicContact CE-CB 4Å; M20-V62 HydrophobicContact CE-CG1 4.09Å; M20-V62 HydrophobicContact CE-CG2 3.91Å; M20-A98 HydrophobicContact CG-CB 4.31Å; M20-A98 HydrophobicContact SD-CB 4.08Å; M20-E102 HydrophobicContact SD-CG 4.16Å; M20-L132 HydrophobicContact CB-CD1 4.25Å; M20-L132 HydrophobicContact CG-CD1 4.18Å
21	L	91.7	Very high	86.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-43.4	177.7	-159.4	159.1	0	0	0	111.4	L13 E17 K18 E19 F23 L24 C25 V37 L40 L41 L58 V62	L13-L21 HydrophobicContact CD1-CD1 3.69Å; E17-L21 WeakPolarHBondContact O-CB 3.44Å; E17-L21 PolarHBondContact O-N 3.35Å; K18-L21 PolarHBondContact O-N 3.41Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 2.71Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 3.16Å; L21-L24 PolarHBondContact O-N 2.97Å; L21-C25 PolarHBondContact O-N 2.96Å; L21-C25 VanDerWaalsContact O-N 3.13Å; L21-V37 HydrophobicContact CB-CG2 4.37Å; L21-V37 HydrophobicContact CD1-CG1 4.04Å; L21-V37 HydrophobicContact CD2-CG1 4.05Å; L21-L40 HydrophobicContact CD2-CD2 3.63Å; L21-L41 HydrophobicContact CD2-CD2 4.38Å; L21-L58 HydrophobicContact CD2-CD1 4.22Å; L21-V62 HydrophobicContact CB-CG2 4.26Å
22	L	90.4	Very high	85.1	Confident	50 Å²	50	50.6 Å²	50.6	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-43.6	173.9	-70.6	170.3	0	0	0	111.7	K18 E19 R26 P34 V37 L40	K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 2.79Å; E19-L22 PolarHBondContact O-N 2.7Å; L22-R26 PolarHBondContact O-N 3.5Å; L22-P34 HydrophobicContact CD2-CG 4.11Å; L22-V37 HydrophobicContact CD1-CG2 4.5Å; L22-V37 HydrophobicContact CD2-CG2 4.29Å; L22-V37 HydrophobicContact CG-CG2 3.98Å; L22-L40 HydrophobicContact CD2-CB 4.19Å; L22-L40 HydrophobicContact CD2-CD2 3.89Å
23	F	91.8	Very high	84	Confident	10 Å²	10	56.2 Å²	56.2	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-43.9	177.2	176.5	-91.4	0	0	0	112.2	E19 M20 L21 C25 R26 R94 M97 L132 V135 V136	E19-F23 WeakPolarHBondContact O-CB 3.41Å; E19-F23 PolarHBondContact O-N 3.02Å; M20-F23 PolarHBondContact O-N 2.69Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 3.16Å; F23-C25 PolarHBondContact O-N 2.81Å; F23-R26 WeakPolarHBondContact O-CB 3.5Å; F23-R26 PolarHBondContact O-N 2.81Å; F23-R94 HydrophobicContact CE1-CB 4.44Å; F23-M97 HydrophobicContact CE1-CB 3.71Å; F23-M97 HydrophobicContact CZ-CB 3.61Å; F23-M97 HydrophobicContact CZ-CG 4.28Å; F23-L132 HydrophobicContact CB-CD1 3.98Å; F23-L132 HydrophobicContact CD1-CD1 4.23Å; F23-L132 HydrophobicContact CD1-CD2 3.9Å; F23-L132 HydrophobicContact CD2-CB 3.89Å; F23-L132 HydrophobicContact CD2-CD2 4.34Å; F23-L132 HydrophobicContact CE1-CD2 3.9Å; F23-L132 HydrophobicContact CE2-CB 4.3Å; F23-L132 HydrophobicContact CE2-CD2 4.32Å; F23-L132 HydrophobicContact CG-CB 4.12Å; F23-L132 HydrophobicContact CG-CD1 4.03Å; F23-L132 HydrophobicContact CG-CD2 4.13Å; F23-L132 HydrophobicContact CG-CG 4.32Å; F23-L132 HydrophobicContact CZ-CD2 4.11Å; F23-V135 HydrophobicContact CE2-CB 4.26Å; F23-V135 HydrophobicContact CE2-CG1 4.04Å; F23-V135 HydrophobicContact CZ-CB 4.45Å; F23-V135 HydrophobicContact CZ-CG1 3.98Å; F23-V136 HydrophobicContact CD2-CG2 3.97Å; F23-V136 HydrophobicContact CE2-CG2 4.1Å
24	L	91.3	Very high	82.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-47.9	179.4	-77.6	172.8	0	0	0	111.2	M20 L21 R26 R61 V62 V90 R94 A98	M20-L24 HydrophobicContact CG-CD1 4.3Å; M20-L24 HydrophobicContact CG-CG 4.5Å; M20-L24 WeakPolarHBondContact O-CB 3.27Å; M20-L24 VanDerWaalsContact O-CG 3.26Å; M20-L24 WeakPolarHBondContact O-CG 3.24Å; M20-L24 PolarHBondContact O-N 3.13Å; L21-L24 PolarHBondContact O-N 2.97Å; L24-R26 PolarHBondContact O-N 3.39Å; L24-R61 HydrophobicContact CD1-CB 3.77Å; L24-V62 HydrophobicContact CD1-CG2 4.24Å; L24-V90 VanDerWaalsContact C-CG1 3.42Å; L24-V90 HydrophobicContact CB-CG1 3.78Å; L24-V90 HydrophobicContact CD2-CG1 4.13Å; L24-V90 WeakPolarHBondContact O-CG1 3.33Å; L24-R94 HydrophobicContact CD2-CB 4.24Å; L24-A98 HydrophobicContact CD2-CB 3.98Å
25	C	89.5	Confident	81.9	Confident	1 Å²	1	58 Å²	58	1%	0.007	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-79.4	4.2	-174.5	-67.3	0	0	0	0	115.4	L21 F23 D27 V28 A29 L40 L44 L58	L21-C25 PolarHBondContact O-N 2.96Å; L21-C25 VanDerWaalsContact O-N 3.13Å; F23-C25 PolarHBondContact O-N 2.81Å; C25-D27 VanDerWaalsContact C-N 3.29Å; C25-D27 PolarHBondContact O-N 3.04Å; C25-V28 PolarHBondContact O-N 2.55Å; C25-A29 PolarHBondContact O-N 3.11Å; C25-A29 VanDerWaalsContact O-N 3.07Å; C25-L40 HydrophobicContact CB-CD1 3.85Å; C25-L40 HydrophobicContact CB-CD2 3.57Å; C25-L40 HydrophobicContact CB-CG 4.21Å; C25-L44 HydrophobicContact CB-CD1 4.35Å; C25-L58 WeakPolarHBondContact SG-CD2 3.49Å
26	R	85.1	Confident	81.7	Confident	92 Å²	92	56 Å²	56	35%	0.347	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-61.3	-34.6	-170.8	-145.6	-177.8	-166.1	-170.7	12.7	114.4	L22 F23 L24 V28 I30 V136 E139	L22-R26 PolarHBondContact O-N 3.5Å; F23-R26 WeakPolarHBondContact O-CB 3.5Å; F23-R26 PolarHBondContact O-N 2.81Å; L24-R26 PolarHBondContact O-N 3.39Å; R26-V28 VanDerWaalsContact C-N 3.28Å; R26-V28 PolarHBondContact O-N 3.43Å; R26-I30 PolarHBondContact O-N 2.95Å; R26-V136 VanDerWaalsContact NH1-CB 3.33Å; R26-E139 IonicContact NH1-OE2 3.01Å
27	D	83.2	Confident	81.7	Confident	58 Å²	58	50.3 Å²	50.3	31%	0.31	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75.9	-19.3	177.8	-57.2	-20.2	0	0	0	112.2	C25 I30 S91 R94	C25-D27 VanDerWaalsContact C-N 3.29Å; C25-D27 PolarHBondContact O-N 3.04Å; D27-I30 WeakPolarHBondContact O-CD1 3.45Å; D27-I30 VanDerWaalsContact O-CG1 3.28Å; D27-I30 WeakPolarHBondContact O-CG1 3.12Å; D27-S91 PolarHBondContact OD2-OG 2.72Å; D27-R94 IonicContact OD1-CZ 3.3Å; D27-R94 VanDerWaalsContact OD1-CZ 3.28Å; D27-R94 IonicContact OD1-NE 3.2Å; D27-R94 PolarHBondContact OD1-NE 3.37Å; D27-R94 IonicContact OD1-NH2 2.67Å; D27-R94 PolarHBondContact OD1-NH2 3.1Å; D27-R94 VanDerWaalsContact OD2-CG 3.22Å; D27-R94 WeakPolarHBondContact OD2-CG 3.46Å; D27-R94 IonicContact OD2-NE 2.68Å; D27-R94 PolarHBondContact OD2-NE 3.38Å
28	V	78.5	Confident	81.5	Confident	18 Å²	18	54 Å²	54	11%	0.109	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-27.2	-178.5	-165.5	0	0	0	0	111.1	C25 R26 L44 K49 L89	C25-V28 PolarHBondContact O-N 2.55Å; R26-V28 VanDerWaalsContact C-N 3.28Å; R26-V28 PolarHBondContact O-N 3.43Å; V28-L44 HydrophobicContact CB-CD2 4.12Å; V28-L44 HydrophobicContact CG1-CD2 3.53Å; V28-K49 HydrophobicContact CG1-CD 3.74Å; V28-L89 HydrophobicContact CG1-CD1 3.98Å; V28-L89 HydrophobicContact CG2-CD1 4.28Å; V28-L89 HydrophobicContact CG2-CG 4.34Å; V28-L89 WeakPolarHBondContact CG2-O 3.5Å
29	A	72.7	Confident	81.3	Confident	8 Å²	8	54 Å²	54	7%	0.066	28%	0.284	C	S	.	.	S	Bend	trans	-109.6	37	178.6	0	0	0	0	0	112.6	C25 D31 V32 L40	C25-A29 PolarHBondContact O-N 3.11Å; C25-A29 VanDerWaalsContact O-N 3.07Å; A29-D31 PolarHBondContact O-N 2.88Å; A29-V32 PolarHBondContact O-N 3.08Å; A29-V32 VanDerWaalsContact O-N 3.09Å; A29-L40 HydrophobicContact CB-CD1 3.76Å
30	I	67	Low	81.2	Confident	133 Å²	133	50.1 Å²	50.1	68%	0.682	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.4	-176.5	-67.2	164.5	0	0	0	113	R26 D27	R26-I30 PolarHBondContact O-N 2.95Å; D27-I30 WeakPolarHBondContact O-CD1 3.45Å; D27-I30 VanDerWaalsContact O-CG1 3.28Å; D27-I30 WeakPolarHBondContact O-CG1 3.12Å
31	D	65	Low	81.2	Confident	124 Å²	124	49.4 Å²	49.4	66%	0.663	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.3	-173.5	-35.1	-55.3	0	0	0	113.8	A29 R47	A29-D31 PolarHBondContact O-N 2.88Å; D31-R47 IonicContact OD2-CZ 3.47Å; D31-R47 IonicContact OD2-NH1 3.86Å; D31-R47 PolarHBondContact OD2-NH1 2.73Å; D31-R47 IonicContact OD2-NH2 3.89Å
32	V	66.2	Low	80.9	Confident	49 Å²	49	50.4 Å²	50.4	30%	0.297	27%	0.268	S	S	.	.			trans	-139.9	133.3	-175.4	-167.3	0	0	0	0	109.5	A29 P34 I43 R47	A29-V32 PolarHBondContact O-N 3.08Å; A29-V32 VanDerWaalsContact O-N 3.09Å; V32-P34 VanDerWaalsContact C-CD 3.46Å; V32-P34 WeakPolarHBondContact O-CD 3.26Å; V32-I43 HydrophobicContact CB-CD1 4.35Å; V32-I43 HydrophobicContact CG1-CD1 3.76Å; V32-R47 VanDerWaalsContact CG2-NH2 3.32Å
33	V	68	Low	80.7	Confident	142 Å²	142	49.8 Å²	49.8	86%	0.861	26%	0.264	S	S	*	.			trans	-96.9	87.3	167.9	-175.5	0	0	0	0	107.1
34	P	69.1	Low	80.5	Confident	19 Å²	19	49.3 Å²	49.3	12%	0.123	26%	0.262	C	S	.	.			trans	-64.3	134.7	-178.3	25.7	-33.3	0	0	0	109.4	L22 V32 N36 D39 L40 I43	L22-P34 HydrophobicContact CD2-CG 4.11Å; V32-P34 VanDerWaalsContact C-CD 3.46Å; V32-P34 WeakPolarHBondContact O-CD 3.26Å; P34-N36 PolarHBondContact O-N 3.38Å; P34-D39 HydrophobicContact CB-CB 4.28Å; P34-L40 HydrophobicContact CB-CB 3.86Å; P34-L40 HydrophobicContact CG-CB 3.63Å; P34-L40 HydrophobicContact CG-CD1 3.83Å; P34-L40 HydrophobicContact CG-CG 4.24Å; P34-I43 HydrophobicContact CB-CD1 4.31Å
35	P	71.2	Confident	80.3	Confident	107 Å²	107	52.3 Å²	52.3	70%	0.695	27%	0.273	S	S	*	.	S	Bend	trans	-72.9	-20.7	-176.6	29.6	-34.4	0	0	0	112.2	D39	P35-D39 WeakPolarHBondContact CG-OD2 3.41Å
36	N	84	Confident	80.1	Confident	57 Å²	57	59.3 Å²	59.3	31%	0.305	31%	0.306	S	S	.	.	S	Bend	trans	-150.4	171	176.9	62.7	61.7	0	0	0	111.9	P34 R38 D39 L40	P34-N36 PolarHBondContact O-N 3.38Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.93Å; N36-R38 WeakPolarHBondContact OD1-CA 3.01Å; N36-R38 WeakPolarHBondContact OD1-CB 3.38Å; N36-R38 PolarHBondContact OD1-N 3.5Å; N36-D39 VanDerWaalsContact CG-OD2 3.31Å; N36-D39 PolarHBondContact ND2-OD2 3.18Å; N36-D39 PolarHBondContact O-N 2.67Å; N36-D39 PolarHBondContact OD1-N 3.04Å; N36-D39 PolarHBondContact OD1-OD2 3.34Å; N36-L40 PolarHBondContact O-N 3.13Å; N36-L40 VanDerWaalsContact O-N 3.1Å
37	V	87.4	Confident	79.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-35	-178.5	169.4	0	0	0	0	112.7	E10 L13 K18 L21 L22 L40 L41	E10-V37 HydrophobicContact CG-CB 4.16Å; E10-V37 HydrophobicContact CG-CG1 4.46Å; L13-V37 HydrophobicContact CD1-CG1 4.42Å; K18-V37 HydrophobicContact CB-CG2 3.7Å; K18-V37 HydrophobicContact CG-CB 4.49Å; K18-V37 HydrophobicContact CG-CG2 3.83Å; L21-V37 HydrophobicContact CB-CG2 4.37Å; L21-V37 HydrophobicContact CD1-CG1 4.04Å; L21-V37 HydrophobicContact CD2-CG1 4.05Å; L22-V37 HydrophobicContact CD1-CG2 4.5Å; L22-V37 HydrophobicContact CD2-CG2 4.29Å; L22-V37 HydrophobicContact CG-CG2 3.98Å; V37-L40 WeakPolarHBondContact O-CB 3.43Å; V37-L40 PolarHBondContact O-N 2.99Å; V37-L41 HydrophobicContact CG1-CD1 3.8Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.25Å; V37-L41 VanDerWaalsContact O-CG 3.29Å; V37-L41 WeakPolarHBondContact O-CG 3.28Å; V37-L41 PolarHBondContact O-N 2.97Å
38	R	87.4	Confident	79.9	Confident	109 Å²	109	60.3 Å²	60.3	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-49.5	178.6	173.6	-178.9	178	177.3	0.7	110.4	I6 E10 N36 L40 L41 D42	I6-R38 HydrophobicContact CG2-CG 4.23Å; E10-R38 HydrophobicContact CB-CB 4.31Å; E10-R38 HydrophobicContact CG-CB 3.99Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.93Å; N36-R38 WeakPolarHBondContact OD1-CA 3.01Å; N36-R38 WeakPolarHBondContact OD1-CB 3.38Å; N36-R38 PolarHBondContact OD1-N 3.5Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 3.08Å; R38-L41 PolarHBondContact O-N 3.35Å; R38-D42 IonicContact NE-OD2 2.71Å; R38-D42 WeakPolarHBondContact O-CB 3.39Å; R38-D42 PolarHBondContact O-N 3.12Å
39	D	87.2	Confident	80.1	Confident	55 Å²	55	64 Å²	64	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-40.7	179.1	-63.6	-28.1	0	0	0	110.9	P34 P35 N36 L41 D42 I43	P34-D39 HydrophobicContact CB-CB 4.28Å; P35-D39 WeakPolarHBondContact CG-OD2 3.41Å; N36-D39 VanDerWaalsContact CG-OD2 3.31Å; N36-D39 PolarHBondContact ND2-OD2 3.18Å; N36-D39 PolarHBondContact O-N 2.67Å; N36-D39 PolarHBondContact OD1-N 3.04Å; N36-D39 PolarHBondContact OD1-OD2 3.34Å; D39-L41 PolarHBondContact O-N 3.48Å; D39-D42 PolarHBondContact O-N 3.15Å; D39-I43 WeakPolarHBondContact O-CB 3.28Å; D39-I43 VanDerWaalsContact O-CD1 3.3Å; D39-I43 WeakPolarHBondContact O-CD1 3.46Å; D39-I43 WeakPolarHBondContact O-CG1 3.32Å; D39-I43 PolarHBondContact O-N 3.07Å
40	L	88.5	Confident	80.7	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-55.8	-52.2	172.8	172	65.4	0	0	0	111.7	L21 L22 C25 A29 P34 N36 V37 R38 I43 L44	L21-L40 HydrophobicContact CD2-CD2 3.63Å; L22-L40 HydrophobicContact CD2-CB 4.19Å; L22-L40 HydrophobicContact CD2-CD2 3.89Å; C25-L40 HydrophobicContact CB-CD1 3.85Å; C25-L40 HydrophobicContact CB-CD2 3.57Å; C25-L40 HydrophobicContact CB-CG 4.21Å; A29-L40 HydrophobicContact CB-CD1 3.76Å; P34-L40 HydrophobicContact CB-CB 3.86Å; P34-L40 HydrophobicContact CG-CB 3.63Å; P34-L40 HydrophobicContact CG-CD1 3.83Å; P34-L40 HydrophobicContact CG-CG 4.24Å; N36-L40 PolarHBondContact O-N 3.13Å; N36-L40 VanDerWaalsContact O-N 3.1Å; V37-L40 WeakPolarHBondContact O-CB 3.43Å; V37-L40 PolarHBondContact O-N 2.99Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 3.08Å; L40-I43 PolarHBondContact O-N 3.35Å; L40-L44 HydrophobicContact CD1-CD1 3.95Å; L40-L44 HydrophobicContact CD1-CG 4.16Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.32Å; L40-L44 PolarHBondContact O-N 3.41Å
41	L	89.3	Confident	81.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-36.5	-177	-68.1	177.4	0	0	0	111.7	I6 V9 L21 V37 R38 D39 L44 R45 L50 L55 L58	I6-L41 HydrophobicContact CB-CB 4.49Å; I6-L41 HydrophobicContact CD1-CB 4.01Å; I6-L41 HydrophobicContact CG1-CB 4.08Å; I6-L41 HydrophobicContact CG2-CB 3.66Å; I6-L41 HydrophobicContact CG2-CD1 4.01Å; I6-L41 HydrophobicContact CG2-CG 4.49Å; V9-L41 HydrophobicContact CG1-CD1 4.42Å; L21-L41 HydrophobicContact CD2-CD2 4.38Å; V37-L41 HydrophobicContact CG1-CD1 3.8Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.25Å; V37-L41 VanDerWaalsContact O-CG 3.29Å; V37-L41 WeakPolarHBondContact O-CG 3.28Å; V37-L41 PolarHBondContact O-N 2.97Å; R38-L41 PolarHBondContact O-N 3.35Å; D39-L41 PolarHBondContact O-N 3.48Å; L41-L44 PolarHBondContact O-N 3.42Å; L41-R45 VanDerWaalsContact O-CB 3.26Å; L41-R45 WeakPolarHBondContact O-CB 3.35Å; L41-R45 PolarHBondContact O-N 3.09Å; L41-L50 HydrophobicContact CB-CD2 4.05Å; L41-L50 HydrophobicContact CD2-CD1 4.12Å; L41-L50 HydrophobicContact CD2-CD2 3.85Å; L41-L50 WeakPolarHBondContact O-CD2 3.5Å; L41-L55 HydrophobicContact CD1-CD1 4.31Å; L41-L55 HydrophobicContact CD2-CD1 4.32Å; L41-L58 HydrophobicContact CD2-CD1 3.87Å
42	D	87.3	Confident	82.8	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-44.8	174.6	-78.3	-27.4	0	0	0	110.9	I6 R38 D39 R45 E46	I6-D42 WeakPolarHBondContact CD1-OD1 3.45Å; R38-D42 IonicContact NE-OD2 2.71Å; R38-D42 WeakPolarHBondContact O-CB 3.39Å; R38-D42 PolarHBondContact O-N 3.12Å; D39-D42 PolarHBondContact O-N 3.15Å; D42-R45 WeakPolarHBondContact O-CB 3.38Å; D42-R45 PolarHBondContact O-N 3.33Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 3.11Å; D42-R45 PolarHBondContact OD1-NH1 3.03Å; D42-R45 IonicContact OD1-NH2 2.81Å; D42-R45 PolarHBondContact OD1-NH2 2.8Å; D42-E46 WeakPolarHBondContact O-CB 3.5Å; D42-E46 WeakPolarHBondContact O-CG 3.49Å; D42-E46 PolarHBondContact O-N 3.03Å
43	I	85.9	Confident	83.8	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.185	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-46.5	174.6	-69.6	160.8	0	0	0	111.1	V32 P34 D39 L40 R45 E46 R47	V32-I43 HydrophobicContact CB-CD1 4.35Å; V32-I43 HydrophobicContact CG1-CD1 3.76Å; P34-I43 HydrophobicContact CB-CD1 4.31Å; D39-I43 WeakPolarHBondContact O-CB 3.28Å; D39-I43 VanDerWaalsContact O-CD1 3.3Å; D39-I43 WeakPolarHBondContact O-CD1 3.46Å; D39-I43 WeakPolarHBondContact O-CG1 3.32Å; D39-I43 PolarHBondContact O-N 3.07Å; L40-I43 PolarHBondContact O-N 3.35Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.32Å; I43-E46 PolarHBondContact O-N 2.7Å; I43-R47 HydrophobicContact CG2-CG 4.42Å; I43-R47 WeakPolarHBondContact O-CB 3.3Å; I43-R47 VanDerWaalsContact O-CG 3.27Å; I43-R47 WeakPolarHBondContact O-CG 3.23Å; I43-R47 PolarHBondContact O-N 2.95Å
44	L	86.5	Confident	84.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-35.6	179.5	-68.9	175.8	0	0	0	111.7	C25 V28 L40 L41 G48 K49 L50	C25-L44 HydrophobicContact CB-CD1 4.35Å; V28-L44 HydrophobicContact CB-CD2 4.12Å; V28-L44 HydrophobicContact CG1-CD2 3.53Å; L40-L44 HydrophobicContact CD1-CD1 3.95Å; L40-L44 HydrophobicContact CD1-CG 4.16Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.32Å; L40-L44 PolarHBondContact O-N 3.41Å; L41-L44 PolarHBondContact O-N 3.42Å; L44-G48 PolarHBondContact O-N 3.29Å; L44-K49 HydrophobicContact CD2-CB 4.41Å; L44-K49 PolarHBondContact O-N 3.16Å; L44-L50 HydrophobicContact CB-CB 3.82Å; L44-L50 PolarHBondContact O-N 2.95Å; L44-L50 VanDerWaalsContact O-N 3.15Å
45	R	86.7	Confident	85.9	Confident	63 Å²	63	49.7 Å²	49.7	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-49.5	172.8	179.4	-167.6	67.9	-146.8	-7.6	111.1	I6 L41 D42 I43 R47 G48 L50	I6-R45 HydrophobicContact CD1-CB 4.3Å; L41-R45 VanDerWaalsContact O-CB 3.26Å; L41-R45 WeakPolarHBondContact O-CB 3.35Å; L41-R45 PolarHBondContact O-N 3.09Å; D42-R45 WeakPolarHBondContact O-CB 3.38Å; D42-R45 PolarHBondContact O-N 3.33Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 3.11Å; D42-R45 PolarHBondContact OD1-NH1 3.03Å; D42-R45 IonicContact OD1-NH2 2.81Å; D42-R45 PolarHBondContact OD1-NH2 2.8Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.32Å; R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 2.89Å; R45-G48 PolarHBondContact O-N 3.43Å; R45-L50 HydrophobicContact CB-CB 4.44Å; R45-L50 HydrophobicContact CB-CD2 4.38Å
46	E	85.7	Confident	86.8	Confident	148 Å²	148	44.6 Å²	44.6	69%	0.692	23%	0.234	S	C	*	.	H	α-helix	trans	-63.2	-35.1	-179.7	-75.4	174.7	-170.6	0	0	112.4	D42 I43 G48	D42-E46 WeakPolarHBondContact O-CB 3.5Å; D42-E46 WeakPolarHBondContact O-CG 3.49Å; D42-E46 PolarHBondContact O-N 3.03Å; I43-E46 PolarHBondContact O-N 2.7Å; E46-G48 PolarHBondContact O-N 3.38Å
47	R	82.4	Confident	87.2	Confident	101 Å²	101	42 Å²	42	38%	0.381	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.5	173.6	-68	178.5	-179.5	-146.6	-2.9	113.7	D31 V32 I43 R45 K49	D31-R47 IonicContact OD2-CZ 3.47Å; D31-R47 IonicContact OD2-NH1 3.86Å; D31-R47 PolarHBondContact OD2-NH1 2.73Å; D31-R47 IonicContact OD2-NH2 3.89Å; V32-R47 VanDerWaalsContact CG2-NH2 3.32Å; I43-R47 HydrophobicContact CG2-CG 4.42Å; I43-R47 WeakPolarHBondContact O-CB 3.3Å; I43-R47 VanDerWaalsContact O-CG 3.27Å; I43-R47 WeakPolarHBondContact O-CG 3.23Å; I43-R47 PolarHBondContact O-N 2.95Å; R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 2.89Å; R47-K49 HydrophobicContact CB-CG 4.22Å; R47-K49 PolarHBondContact O-N 2.98Å
48	G	82.1	Confident	87.4	Confident	70 Å²	70	42 Å²	42	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	15.8	-177.7	0	0	0	0	0	114.2	L44 R45 E46	L44-G48 PolarHBondContact O-N 3.29Å; R45-G48 PolarHBondContact O-N 3.43Å; E46-G48 PolarHBondContact O-N 3.38Å
49	K	82.6	Confident	87.7	Confident	97 Å²	97	36.8 Å²	36.8	42%	0.422	20%	0.2	S	C	.	.			trans	-94.3	-9.6	-178.8	-65.7	-169.3	-177.9	-177.7	0	113.4	V28 L44 R47 L89	V28-K49 HydrophobicContact CG1-CD 3.74Å; L44-K49 HydrophobicContact CD2-CB 4.41Å; L44-K49 PolarHBondContact O-N 3.16Å; R47-K49 HydrophobicContact CB-CG 4.22Å; R47-K49 PolarHBondContact O-N 2.98Å; K49-L89 WeakPolarHBondContact O-CD1 3.16Å
50	L	85.4	Confident	87.9	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.063	19%	0.186	C	C	.	.			trans	-109.3	95.6	-179	-166.5	72	0	0	0	111.3	M1 I6 L41 L44 R45 D54 L55 L58 L89	M1-L50 HydrophobicContact CE-CD2 3.99Å; M1-L50 HydrophobicContact CE-CG 3.79Å; M1-L50 HydrophobicContact SD-CD2 3.67Å; M1-L50 HydrophobicContact SD-CG 4.16Å; I6-L50 HydrophobicContact CD1-CD2 4.32Å; L41-L50 HydrophobicContact CB-CD2 4.05Å; L41-L50 HydrophobicContact CD2-CD1 4.12Å; L41-L50 HydrophobicContact CD2-CD2 3.85Å; L41-L50 WeakPolarHBondContact O-CD2 3.5Å; L44-L50 HydrophobicContact CB-CB 3.82Å; L44-L50 PolarHBondContact O-N 2.95Å; L44-L50 VanDerWaalsContact O-N 3.15Å; R45-L50 HydrophobicContact CB-CB 4.44Å; R45-L50 HydrophobicContact CB-CD2 4.38Å; L50-D54 HydrophobicContact CD1-CB 4.14Å; L50-L55 HydrophobicContact CD1-CB 4.39Å; L50-L58 HydrophobicContact CD1-CD1 4.23Å; L50-L89 HydrophobicContact CD1-CD2 4.34Å
51	S	88.3	Confident	87.9	Confident	54 Å²	54	34.5 Å²	34.5	38%	0.378	19%	0.187	S	C	.	.			trans	-87.5	172	166.7	79.8	0	0	0	0	111.6	M1 G53 D54 L55	M1-S51 WeakPolarHBondContact CE-O 3.45Å; S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 3.07Å; S51-D54 WeakPolarHBondContact CA-OD2 3.28Å; S51-D54 WeakPolarHBondContact CB-OD2 3.42Å; S51-D54 PolarHBondContact N-OD2 3.06Å; S51-D54 PolarHBondContact O-N 3.26Å; S51-D54 PolarHBondContact OG-N 2.73Å; S51-D54 PolarHBondContact OG-OD2 3.24Å; S51-L55 PolarHBondContact O-N 3.09Å
52	V	88.1	Confident	88	Confident	75 Å²	75	34.8 Å²	34.8	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-61.1	-34.8	172.9	178.1	0	0	0	0	111.1	A56 L72	V52-A56 WeakPolarHBondContact O-CB 3.4Å; V52-A56 PolarHBondContact O-N 3.45Å; V52-L72 HydrophobicContact CG1-CD2 4.26Å
53	G	87.7	Confident	88	Confident	8 Å²	8	39 Å²	39	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-39	175.7	0	0	0	0	0	112.4	S51 A56 E57 H82	S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 3.07Å; G53-A56 WeakPolarHBondContact O-CB 3.37Å; G53-A56 PolarHBondContact O-N 2.89Å; G53-E57 PolarHBondContact O-N 2.75Å; G53-H82 WeakPolarHBondContact CA-NE2 3.41Å
54	D	89.3	Confident	88.3	Confident	25 Å²	25	39.5 Å²	39.5	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-70.6	-40.9	179.8	-54.6	-50.1	0	0	0	111.7	L50 S51 A56 E57 L58 L89	L50-D54 HydrophobicContact CD1-CB 4.14Å; S51-D54 WeakPolarHBondContact CA-OD2 3.28Å; S51-D54 WeakPolarHBondContact CB-OD2 3.42Å; S51-D54 PolarHBondContact N-OD2 3.06Å; S51-D54 PolarHBondContact O-N 3.26Å; S51-D54 PolarHBondContact OG-N 2.73Å; S51-D54 PolarHBondContact OG-OD2 3.24Å; D54-A56 VanDerWaalsContact C-N 3.29Å; D54-A56 PolarHBondContact O-N 3.22Å; D54-E57 WeakPolarHBondContact O-CB 3.46Å; D54-E57 PolarHBondContact O-N 3Å; D54-L58 WeakPolarHBondContact O-CG 3.37Å; D54-L58 PolarHBondContact O-N 3.24Å; D54-L89 HydrophobicContact CB-CB 4.08Å; D54-L89 HydrophobicContact CB-CD1 4.38Å; D54-L89 HydrophobicContact CB-CD2 3.87Å; D54-L89 HydrophobicContact CB-CG 4.3Å
55	L	90.8	Very high	88.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-36.1	172.1	179.5	62.9	0	0	0	111.6	M1 V5 V9 L41 L50 S51 E57 L58 L59 L72	M1-L55 HydrophobicContact CE-CB 3.6Å; M1-L55 HydrophobicContact CE-CD2 3.76Å; M1-L55 HydrophobicContact CE-CG 4.32Å; M1-L55 HydrophobicContact SD-CB 4.43Å; M1-L55 HydrophobicContact SD-CD2 3.65Å; V5-L55 HydrophobicContact CG1-CD2 3.85Å; V9-L55 HydrophobicContact CG2-CD2 4.34Å; L41-L55 HydrophobicContact CD1-CD1 4.31Å; L41-L55 HydrophobicContact CD2-CD1 4.32Å; L50-L55 HydrophobicContact CD1-CB 4.39Å; S51-L55 PolarHBondContact O-N 3.09Å; L55-E57 VanDerWaalsContact C-N 3.31Å; L55-L58 PolarHBondContact O-N 3.26Å; L55-L59 HydrophobicContact CD1-CG 4.4Å; L55-L59 HydrophobicContact CG-CD1 4.36Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 2.66Å; L55-L72 HydrophobicContact CD2-CD1 4.5Å; L55-L72 HydrophobicContact CD2-CD2 4.06Å; L55-L72 HydrophobicContact CG-CD1 4.24Å
56	A	91.5	Very high	88.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-38.6	173.1	0	0	0	0	0	111.6	V52 G53 D54 Y60 L68 L72 M74 V79	V52-A56 WeakPolarHBondContact O-CB 3.4Å; V52-A56 PolarHBondContact O-N 3.45Å; G53-A56 WeakPolarHBondContact O-CB 3.37Å; G53-A56 PolarHBondContact O-N 2.89Å; D54-A56 VanDerWaalsContact C-N 3.29Å; D54-A56 PolarHBondContact O-N 3.22Å; A56-Y60 WeakPolarHBondContact O-CB 3.37Å; A56-Y60 PolarHBondContact O-N 2.91Å; A56-L68 HydrophobicContact CB-CD2 3.96Å; A56-L68 WeakPolarHBondContact O-CD2 3.22Å; A56-L72 HydrophobicContact CB-CD1 3.66Å; A56-M74 HydrophobicContact CB-CE 4.31Å; A56-M74 HydrophobicContact CB-SD 3.65Å; A56-V79 HydrophobicContact CB-CG1 4.16Å; A56-V79 HydrophobicContact CB-CG2 3.86Å
57	E	92	Very high	88.8	Confident	3 Å²	3	35.6 Å²	35.6	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-51.3	171.3	176.1	167.5	-160.9	0	0	111.1	G53 D54 L55 L59 Y60 R61 L83 H88 L89 V90	G53-E57 PolarHBondContact O-N 2.75Å; D54-E57 WeakPolarHBondContact O-CB 3.46Å; D54-E57 PolarHBondContact O-N 3Å; L55-E57 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.35Å; E57-Y60 WeakPolarHBondContact O-CB 3.34Å; E57-Y60 PolarHBondContact O-N 3.06Å; E57-Y60 VanDerWaalsContact O-N 3.13Å; E57-R61 HydrophobicContact CG-CG 4.24Å; E57-R61 VanDerWaalsContact O-CG 3.3Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 IonicContact OE1-CZ 3Å; E57-R61 IonicContact OE1-NE 3.1Å; E57-R61 IonicContact OE1-NH1 2.69Å; E57-R61 PolarHBondContact OE1-NH1 3.03Å; E57-R61 VanDerWaalsContact OE1-NH1 3.16Å; E57-R61 IonicContact OE1-NH2 3.75Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; E57-L83 HydrophobicContact CB-CD2 3.85Å; E57-L83 VanDerWaalsContact CD-CD2 3.43Å; E57-L83 HydrophobicContact CG-CD2 3.65Å; E57-H88 WeakPolarHBondContact OE1-CB 3.31Å; E57-H88 IonicContact OE1-CG 3.84Å; E57-H88 WeakPolarHBondContact OE2-CA 3.25Å; E57-L89 PolarHBondContact OE2-N 2.96Å; E57-V90 HydrophobicContact CG-CG2 4.02Å
58	L	91.9	Very high	89.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-49	-178.9	-65.6	175.4	0	0	0	111.9	L21 C25 L41 L50 D54 L55 Y60 R61 V62 L89 V90	L21-L58 HydrophobicContact CD2-CD1 4.22Å; C25-L58 WeakPolarHBondContact SG-CD2 3.49Å; L41-L58 HydrophobicContact CD2-CD1 3.87Å; L50-L58 HydrophobicContact CD1-CD1 4.23Å; D54-L58 WeakPolarHBondContact O-CG 3.37Å; D54-L58 PolarHBondContact O-N 3.24Å; L55-L58 PolarHBondContact O-N 3.26Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.01Å; L58-R61 PolarHBondContact O-N 3.42Å; L58-R61 VanDerWaalsContact O-N 3.15Å; L58-V62 WeakPolarHBondContact O-CG2 3.26Å; L58-V62 PolarHBondContact O-N 2.84Å; L58-L89 HydrophobicContact CD1-CD2 3.88Å; L58-L89 HydrophobicContact CD2-CD2 4.04Å; L58-L89 HydrophobicContact CG-CD2 3.96Å; L58-V90 HydrophobicContact CD2-CG2 4.07Å
59	L	91.9	Very high	89.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-33.1	177.9	-69.5	177.7	0	0	0	112.7	V9 L55 E57 R63 R64 L67 L68 L72	V9-L59 HydrophobicContact CG1-CD2 3.88Å; V9-L59 HydrophobicContact CG2-CD1 4.28Å; L55-L59 HydrophobicContact CD1-CG 4.4Å; L55-L59 HydrophobicContact CG-CD1 4.36Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 2.66Å; E57-L59 PolarHBondContact O-N 3.35Å; L59-R63 PolarHBondContact O-N 3.3Å; L59-R63 VanDerWaalsContact O-N 3.14Å; L59-R64 PolarHBondContact O-N 3.07Å; L59-L67 HydrophobicContact CD1-CB 4.07Å; L59-L67 HydrophobicContact CD2-CB 4.16Å; L59-L67 HydrophobicContact CD2-CD1 4Å; L59-L68 HydrophobicContact CB-CD2 3.58Å; L59-L68 HydrophobicContact CB-CG 3.87Å; L59-L68 HydrophobicContact CD1-CD2 4.07Å; L59-L68 HydrophobicContact CG-CD2 4.47Å; L59-L72 HydrophobicContact CD1-CD1 4.01Å; L59-L72 HydrophobicContact CD1-CG 4.39Å
60	Y	91.6	Very high	89.9	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-41.6	174	178.4	-90.2	0	0	0	112	A56 E57 L58 R63 F65 L68 R76 V79 E80 L83 L186	A56-Y60 WeakPolarHBondContact O-CB 3.37Å; A56-Y60 PolarHBondContact O-N 2.91Å; E57-Y60 WeakPolarHBondContact O-CB 3.34Å; E57-Y60 PolarHBondContact O-N 3.06Å; E57-Y60 VanDerWaalsContact O-N 3.13Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.01Å; Y60-R63 PolarHBondContact O-N 2.84Å; Y60-R63 VanDerWaalsContact O-N 3.16Å; Y60-F65 HydrophobicContact CD2-CD1 4.4Å; Y60-F65 AromaticContact CD2-CE1 3.81Å; Y60-F65 HydrophobicContact CD2-CE1 3.81Å; Y60-F65 HydrophobicContact CE2-CE1 4.01Å; Y60-L68 HydrophobicContact CD2-CD1 4.41Å; Y60-R76 HydrophobicContact CD2-CG 4.25Å; Y60-R76 HydrophobicContact CE2-CG 3.67Å; Y60-V79 HydrophobicContact CD2-CB 4.21Å; Y60-V79 HydrophobicContact CD2-CG1 4.17Å; Y60-V79 HydrophobicContact CG-CG1 4.02Å; Y60-E80 HydrophobicContact CE2-CG 3.55Å; Y60-E80 WeakPolarHBondContact OH-CG 3.5Å; Y60-E80 PolarHBondContact OH-OE1 3.24Å; Y60-L83 HydrophobicContact CD1-CD1 3.9Å; Y60-L83 HydrophobicContact CE1-CD1 4.08Å; Y60-L83 HydrophobicContact CG-CD1 4.5Å; Y60-L186 HydrophobicContact CE1-CB 3.77Å; Y60-L186 HydrophobicContact CE1-CD1 4.25Å; Y60-L186 HydrophobicContact CE1-CD2 4.34Å; Y60-L186 HydrophobicContact CE1-CG 4.34Å; Y60-L186 WeakPolarHBondContact OH-CB 3.28Å; Y60-L186 PolarHBondContact OH-O 3.43Å
61	R	89.8	Confident	90.1	Very high	9 Å²	9	37.4 Å²	37.4	3%	0.034	18%	0.175	C	C	.	.	H	α-helix	trans	-70.3	-32.6	177.2	-61.5	-60.7	178.1	64.2	-1.3	112.3	M20 L24 E57 L58 R63	M20-R61 WeakPolarHBondContact CE-O 3.34Å; L24-R61 HydrophobicContact CD1-CB 3.77Å; E57-R61 HydrophobicContact CG-CG 4.24Å; E57-R61 VanDerWaalsContact O-CG 3.3Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 IonicContact OE1-CZ 3Å; E57-R61 IonicContact OE1-NE 3.1Å; E57-R61 IonicContact OE1-NH1 2.69Å; E57-R61 PolarHBondContact OE1-NH1 3.03Å; E57-R61 VanDerWaalsContact OE1-NH1 3.16Å; E57-R61 IonicContact OE1-NH2 3.75Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; L58-R61 PolarHBondContact O-N 3.42Å; L58-R61 VanDerWaalsContact O-N 3.15Å; R61-R63 PolarHBondContact O-N 2.74Å
62	V	90.1	Very high	90.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.6	171.9	-174.6	0	0	0	0	113	L13 E17 M20 L21 L24 L58 R64	L13-V62 HydrophobicContact CD2-CG1 4.23Å; E17-V62 HydrophobicContact CB-CG1 3.72Å; E17-V62 HydrophobicContact CG-CG1 3.8Å; M20-V62 VanDerWaalsContact CE-CA 3.42Å; M20-V62 HydrophobicContact CE-CB 4Å; M20-V62 HydrophobicContact CE-CG1 4.09Å; M20-V62 HydrophobicContact CE-CG2 3.91Å; L21-V62 HydrophobicContact CB-CG2 4.26Å; L24-V62 HydrophobicContact CD1-CG2 4.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.26Å; L58-V62 PolarHBondContact O-N 2.84Å; V62-R64 HydrophobicContact CG1-CG 4.3Å; V62-R64 PolarHBondContact O-N 3.33Å; V62-R64 VanDerWaalsContact O-N 3.1Å
63	R	88.6	Confident	90.2	Very high	110 Å²	110	41.7 Å²	41.7	42%	0.415	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	18.2	178.4	-52.5	-175	-179	-139	4.7	115	L59 Y60 R61 F65 E102	L59-R63 PolarHBondContact O-N 3.3Å; L59-R63 VanDerWaalsContact O-N 3.14Å; Y60-R63 PolarHBondContact O-N 2.84Å; Y60-R63 VanDerWaalsContact O-N 3.16Å; R61-R63 PolarHBondContact O-N 2.74Å; R63-F65 VanDerWaalsContact C-N 3.25Å; R63-F65 HydrophobicContact CB-CE2 3.96Å; R63-F65 HydrophobicContact CB-CZ 4.1Å; R63-F65 HydrophobicContact CG-CZ 4.42Å; R63-F65 WeakPolarHBondContact O-CD2 3.5Å; R63-F65 WeakPolarHBondContact O-CE2 3.4Å; R63-F65 PolarHBondContact O-N 2.99Å; R63-E102 WeakPolarHBondContact CD-OE1 3.27Å; R63-E102 IonicContact CZ-OE1 3.98Å; R63-E102 IonicContact CZ-OE2 2.65Å; R63-E102 IonicContact NE-OE1 3.81Å; R63-E102 PolarHBondContact NE-OE1 2.89Å; R63-E102 VanDerWaalsContact NE-OE1 3.1Å; R63-E102 IonicContact NE-OE2 2.84Å; R63-E102 PolarHBondContact NE-OE2 2.96Å; R63-E102 IonicContact NH2-OE2 2.8Å; R63-E102 PolarHBondContact NH2-OE2 2.72Å
64	R	90.4	Very high	90.2	Very high	46 Å²	46	43 Å²	43	17%	0.174	19%	0.186	C	C	.	.			trans	-85.1	66	175.2	-72.7	-62.8	-66.9	-94.8	0.1	112.2	A12 L13 E17 L59 V62 D66 L67 L68	A12-R64 VanDerWaalsContact O-CZ 3.32Å; A12-R64 PolarHBondContact O-NH1 3.31Å; A12-R64 PolarHBondContact O-NH2 3.38Å; A12-R64 VanDerWaalsContact O-NH2 3.08Å; L13-R64 HydrophobicContact CD2-CG 3.93Å; E17-R64 WeakPolarHBondContact OE1-CD 3.22Å; E17-R64 WeakPolarHBondContact OE1-CG 3.18Å; E17-R64 IonicContact OE1-NH1 3.56Å; E17-R64 PolarHBondContact OE1-NH1 3.27Å; E17-R64 IonicContact OE2-CZ 2.92Å; E17-R64 IonicContact OE2-NH1 2.93Å; E17-R64 PolarHBondContact OE2-NH1 2.88Å; L59-R64 PolarHBondContact O-N 3.07Å; V62-R64 HydrophobicContact CG1-CG 4.3Å; V62-R64 PolarHBondContact O-N 3.33Å; V62-R64 VanDerWaalsContact O-N 3.1Å; R64-D66 VanDerWaalsContact C-OD1 3.29Å; R64-D66 WeakPolarHBondContact CA-OD1 3.44Å; R64-D66 WeakPolarHBondContact CD-OD1 3.37Å; R64-D66 IonicContact CZ-OD1 3.2Å; R64-D66 IonicContact CZ-OD2 3.24Å; R64-D66 IonicContact NE-OD1 2.8Å; R64-D66 PolarHBondContact NE-OD1 3.06Å; R64-D66 IonicContact NE-OD2 3.81Å; R64-D66 PolarHBondContact NE-OD2 2.99Å; R64-D66 IonicContact NH2-OD1 3.91Å; R64-D66 IonicContact NH2-OD2 2.71Å; R64-D66 PolarHBondContact NH2-OD2 3.25Å; R64-D66 PolarHBondContact O-N 2.63Å; R64-L67 HydrophobicContact CB-CB 4.23Å; R64-L67 HydrophobicContact CB-CD1 3.87Å; R64-L67 HydrophobicContact CB-CG 3.98Å; R64-L67 HydrophobicContact CG-CD1 4.27Å; R64-L67 PolarHBondContact O-N 3.41Å; R64-L67 VanDerWaalsContact O-N 3.08Å; R64-L68 PolarHBondContact O-N 2.83Å; R64-L68 VanDerWaalsContact O-N 3.17Å
65	F	89.3	Confident	90.1	Very high	58 Å²	58	45.7 Å²	45.7	25%	0.254	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-22.9	179.7	-49.2	-65.9	0	0	0	113.2	Y60 R63 L68 K69 R76 L186	Y60-F65 HydrophobicContact CD2-CD1 4.4Å; Y60-F65 AromaticContact CD2-CE1 3.81Å; Y60-F65 HydrophobicContact CD2-CE1 3.81Å; Y60-F65 HydrophobicContact CE2-CE1 4.01Å; R63-F65 VanDerWaalsContact C-N 3.25Å; R63-F65 HydrophobicContact CB-CE2 3.96Å; R63-F65 HydrophobicContact CB-CZ 4.1Å; R63-F65 HydrophobicContact CG-CZ 4.42Å; R63-F65 WeakPolarHBondContact O-CD2 3.5Å; R63-F65 WeakPolarHBondContact O-CE2 3.4Å; R63-F65 PolarHBondContact O-N 2.99Å; F65-L68 HydrophobicContact CD1-CD1 3.99Å; F65-K69 WeakPolarHBondContact O-CG 3.32Å; F65-K69 PolarHBondContact O-N 2.97Å; F65-R76 HydrophobicContact CD1-CB 4.44Å; F65-R76 HydrophobicContact CD1-CG 4.14Å; F65-R76 HydrophobicContact CE1-CG 4.07Å; F65-L186 HydrophobicContact CZ-CD2 4.49Å
66	D	90.6	Very high	89.9	Confident	72 Å²	72	50.3 Å²	50.3	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-44.6	169.7	62.7	-51.5	0	0	0	111	R64 K69 R70	R64-D66 VanDerWaalsContact C-OD1 3.29Å; R64-D66 WeakPolarHBondContact CA-OD1 3.44Å; R64-D66 WeakPolarHBondContact CD-OD1 3.37Å; R64-D66 IonicContact CZ-OD1 3.2Å; R64-D66 IonicContact CZ-OD2 3.24Å; R64-D66 IonicContact NE-OD1 2.8Å; R64-D66 PolarHBondContact NE-OD1 3.06Å; R64-D66 IonicContact NE-OD2 3.81Å; R64-D66 PolarHBondContact NE-OD2 2.99Å; R64-D66 IonicContact NH2-OD1 3.91Å; R64-D66 IonicContact NH2-OD2 2.71Å; R64-D66 PolarHBondContact NH2-OD2 3.25Å; R64-D66 PolarHBondContact O-N 2.63Å; D66-K69 PolarHBondContact O-N 3.38Å; D66-R70 VanDerWaalsContact O-CB 3.23Å; D66-R70 WeakPolarHBondContact O-CB 3.47Å; D66-R70 PolarHBondContact O-N 3.22Å
67	L	90.8	Very high	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-37.3	179	-58.7	-175.2	0	0	0	111.9	A12 L13 L59 R64 K69 R70 I71	A12-L67 HydrophobicContact CB-CD1 3.86Å; A12-L67 HydrophobicContact CB-CD2 3.6Å; A12-L67 HydrophobicContact CB-CG 4.39Å; L13-L67 HydrophobicContact CD2-CD1 3.88Å; L59-L67 HydrophobicContact CD1-CB 4.07Å; L59-L67 HydrophobicContact CD2-CB 4.16Å; L59-L67 HydrophobicContact CD2-CD1 4Å; R64-L67 HydrophobicContact CB-CB 4.23Å; R64-L67 HydrophobicContact CB-CD1 3.87Å; R64-L67 HydrophobicContact CB-CG 3.98Å; R64-L67 HydrophobicContact CG-CD1 4.27Å; R64-L67 PolarHBondContact O-N 3.41Å; R64-L67 VanDerWaalsContact O-N 3.08Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 2.79Å; L67-R70 PolarHBondContact O-N 3.41Å; L67-I71 HydrophobicContact CB-CD1 4.25Å; L67-I71 HydrophobicContact CD2-CD1 4.01Å; L67-I71 VanDerWaalsContact O-CB 3.3Å; L67-I71 WeakPolarHBondContact O-CB 3.45Å; L67-I71 PolarHBondContact O-N 3.21Å
68	L	89.4	Confident	89.5	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-54.7	-47.1	171.7	-73	177.9	0	0	0	111.9	A56 L59 Y60 R64 F65 L72 K73 M74 V79	A56-L68 HydrophobicContact CB-CD2 3.96Å; A56-L68 WeakPolarHBondContact O-CD2 3.22Å; L59-L68 HydrophobicContact CB-CD2 3.58Å; L59-L68 HydrophobicContact CB-CG 3.87Å; L59-L68 HydrophobicContact CD1-CD2 4.07Å; L59-L68 HydrophobicContact CG-CD2 4.47Å; Y60-L68 HydrophobicContact CD2-CD1 4.41Å; R64-L68 PolarHBondContact O-N 2.83Å; R64-L68 VanDerWaalsContact O-N 3.17Å; F65-L68 HydrophobicContact CD1-CD1 3.99Å; L68-L72 HydrophobicContact CD2-CD1 4.06Å; L68-L72 CarbonylContact O-C 3.52Å; L68-L72 WeakPolarHBondContact O-CA 3.2Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 2.83Å; L68-K73 PolarHBondContact O-N 3.47Å; L68-M74 CarbonylContact C-O 3.55Å; L68-M74 PolarHBondContact O-N 3.27Å; L68-V79 HydrophobicContact CD1-CG2 3.97Å; L68-V79 HydrophobicContact CD2-CG2 3.97Å
69	K	89.7	Confident	89.3	Confident	132 Å²	132	58.9 Å²	58.9	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-72.5	-46.5	179.9	-71.6	178.7	-179	179.6	0	112.1	F65 D66 L67 K73 M74	F65-K69 WeakPolarHBondContact O-CG 3.32Å; F65-K69 PolarHBondContact O-N 2.97Å; D66-K69 PolarHBondContact O-N 3.38Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 2.79Å; K69-K73 VanDerWaalsContact O-CA 3.29Å; K69-K73 WeakPolarHBondContact O-CA 3.46Å; K69-K73 PolarHBondContact O-N 2.99Å; K69-M74 WeakPolarHBondContact CA-O 3.43Å; K69-M74 PolarHBondContact N-O 3.1Å
70	R	90.5	Very high	88.9	Confident	162 Å²	162	59.5 Å²	59.5	61%	0.611	27%	0.265	S	S	*	.	H	α-helix	trans	-71.1	-44.7	-173.2	-173.9	175.6	70.8	-179.4	3.6	112.3	D66 L67	D66-R70 VanDerWaalsContact O-CB 3.23Å; D66-R70 WeakPolarHBondContact O-CB 3.47Å; D66-R70 PolarHBondContact O-N 3.22Å; L67-R70 PolarHBondContact O-N 3.41Å
71	I	89.6	Confident	88.6	Confident	24 Å²	24	62.5 Å²	62.5	12%	0.123	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-49.7	-170.7	-55.9	180	0	0	0	110.7	V5 Q8 V9 L67	V5-I71 HydrophobicContact CB-CG2 4.46Å; V5-I71 HydrophobicContact CG1-CG2 3.73Å; V5-I71 HydrophobicContact CG2-CG2 4.31Å; Q8-I71 HydrophobicContact CB-CD1 4.11Å; V9-I71 HydrophobicContact CG2-CD1 3.72Å; V9-I71 HydrophobicContact CG2-CG2 4.47Å; L67-I71 HydrophobicContact CB-CD1 4.25Å; L67-I71 HydrophobicContact CD2-CD1 4.01Å; L67-I71 VanDerWaalsContact O-CB 3.3Å; L67-I71 WeakPolarHBondContact O-CB 3.45Å; L67-I71 PolarHBondContact O-N 3.21Å
72	L	87.5	Confident	88.4	Confident	27 Å²	27	64.7 Å²	64.7	14%	0.141	29%	0.294	C	S	.	.	S	Bend	trans	-92.9	-8.4	-175.1	-55.8	-174.5	0	0	0	113.6	V5 V52 L55 A56 L59 L68 M74	V5-L72 HydrophobicContact CG1-CD2 4.37Å; V52-L72 HydrophobicContact CG1-CD2 4.26Å; L55-L72 HydrophobicContact CD2-CD1 4.5Å; L55-L72 HydrophobicContact CD2-CD2 4.06Å; L55-L72 HydrophobicContact CG-CD1 4.24Å; A56-L72 HydrophobicContact CB-CD1 3.66Å; L59-L72 HydrophobicContact CD1-CD1 4.01Å; L59-L72 HydrophobicContact CD1-CG 4.39Å; L68-L72 HydrophobicContact CD2-CD1 4.06Å; L68-L72 CarbonylContact O-C 3.52Å; L68-L72 WeakPolarHBondContact O-CA 3.2Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 2.83Å; L72-M74 HydrophobicContact CB-CB 4.37Å; L72-M74 HydrophobicContact CB-CG 4.11Å; L72-M74 HydrophobicContact CB-SD 4.42Å; L72-M74 PolarHBondContact O-N 2.95Å; L72-M74 VanDerWaalsContact O-N 3.15Å
73	K	90.4	Very high	88.1	Confident	192 Å²	192	64.7 Å²	64.7	84%	0.835	29%	0.294	S	S	*	.			trans	52.7	30.7	-172.9	-57.2	-177	-179.6	179.4	0	112.4	L68 K69	L68-K73 PolarHBondContact O-N 3.47Å; K69-K73 VanDerWaalsContact O-CA 3.29Å; K69-K73 WeakPolarHBondContact O-CA 3.46Å; K69-K73 PolarHBondContact O-N 2.99Å
74	M	88.9	Confident	87.8	Confident	35 Å²	35	63 Å²	63	17%	0.172	29%	0.293	C	S	.	.			trans	-105.3	136.2	176.3	-66.3	-175.2	76.8	0	0	109.1	A56 L68 K69 L72 A78 V79	A56-M74 HydrophobicContact CB-CE 4.31Å; A56-M74 HydrophobicContact CB-SD 3.65Å; L68-M74 CarbonylContact C-O 3.55Å; L68-M74 PolarHBondContact O-N 3.27Å; K69-M74 WeakPolarHBondContact CA-O 3.43Å; K69-M74 PolarHBondContact N-O 3.1Å; L72-M74 HydrophobicContact CB-CB 4.37Å; L72-M74 HydrophobicContact CB-CG 4.11Å; L72-M74 HydrophobicContact CB-SD 4.42Å; L72-M74 PolarHBondContact O-N 2.95Å; L72-M74 VanDerWaalsContact O-N 3.15Å; M74-A78 HydrophobicContact CE-CB 4.13Å; M74-V79 HydrophobicContact CB-CG2 4.07Å; M74-V79 HydrophobicContact CE-CG2 3.9Å; M74-V79 HydrophobicContact SD-CG2 4.35Å
75	D	86.9	Confident	87.2	Confident	81 Å²	81	70.4 Å²	70.4	43%	0.433	32%	0.321	S	S	.	.			trans	-87.4	168.4	166.7	72.6	14.3	0	0	0	110.6	K77 A78 V79	D75-K77 VanDerWaalsContact C-N 3.25Å; D75-K77 PolarHBondContact O-N 3.16Å; D75-K77 PolarHBondContact OD1-N 2.92Å; D75-A78 PolarHBondContact O-N 2.85Å; D75-A78 VanDerWaalsContact OD1-CB 3.25Å; D75-A78 WeakPolarHBondContact OD1-CB 3.31Å; D75-A78 PolarHBondContact OD1-N 3.49Å; D75-V79 PolarHBondContact O-N 3.24Å
76	R	86.5	Confident	86.7	Confident	97 Å²	97	71 Å²	71	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-54.5	-43.8	179.4	-172.3	-176.7	161.8	168.8	-0.8	111.6	Y60 F65 A78 V79 E80	Y60-R76 HydrophobicContact CD2-CG 4.25Å; Y60-R76 HydrophobicContact CE2-CG 3.67Å; F65-R76 HydrophobicContact CD1-CB 4.44Å; F65-R76 HydrophobicContact CD1-CG 4.14Å; F65-R76 HydrophobicContact CE1-CG 4.07Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.11Å; R76-V79 PolarHBondContact O-N 3.01Å; R76-E80 HydrophobicContact CG-CG 4.4Å; R76-E80 WeakPolarHBondContact CG-OE1 3.39Å; R76-E80 IonicContact CZ-OE1 2.9Å; R76-E80 IonicContact NE-OE1 2.61Å; R76-E80 PolarHBondContact NE-OE1 2.98Å; R76-E80 IonicContact NH2-OE1 3.78Å; R76-E80 PolarHBondContact NH2-OE1 3.43Å; R76-E80 WeakPolarHBondContact O-CB 3.47Å; R76-E80 WeakPolarHBondContact O-CG 3.31Å; R76-E80 PolarHBondContact O-N 3.35Å
77	K	86.6	Confident	86.1	Confident	146 Å²	146	73.2 Å²	73.2	64%	0.635	35%	0.345	S	S	*	.	H	α-helix	trans	-65.8	-34.9	-177.7	-71.5	-174.7	176.8	-176.8	0	112.6	D75 T81	D75-K77 VanDerWaalsContact C-N 3.25Å; D75-K77 PolarHBondContact O-N 3.16Å; D75-K77 PolarHBondContact OD1-N 2.92Å; K77-T81 WeakPolarHBondContact O-CB 3.15Å; K77-T81 PolarHBondContact O-N 3.41Å; K77-T81 PolarHBondContact O-OG1 3.45Å
78	A	87.9	Confident	85.8	Confident	38 Å²	38	75.8 Å²	75.8	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-44.8	177.7	0	0	0	0	0	110.9	M74 D75 R76 T81 H82	M74-A78 HydrophobicContact CE-CB 4.13Å; D75-A78 PolarHBondContact O-N 2.85Å; D75-A78 VanDerWaalsContact OD1-CB 3.25Å; D75-A78 WeakPolarHBondContact OD1-CB 3.31Å; D75-A78 PolarHBondContact OD1-N 3.49Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.11Å; A78-T81 PolarHBondContact O-N 3.26Å; A78-H82 WeakPolarHBondContact O-CB 3.43Å; A78-H82 PolarHBondContact O-N 2.84Å
79	V	87.9	Confident	85.7	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-44.7	176	-173.2	0	0	0	0	110.9	A56 Y60 L68 M74 D75 R76 T81 H82 L83	A56-V79 HydrophobicContact CB-CG1 4.16Å; A56-V79 HydrophobicContact CB-CG2 3.86Å; Y60-V79 HydrophobicContact CD2-CB 4.21Å; Y60-V79 HydrophobicContact CD2-CG1 4.17Å; Y60-V79 HydrophobicContact CG-CG1 4.02Å; L68-V79 HydrophobicContact CD1-CG2 3.97Å; L68-V79 HydrophobicContact CD2-CG2 3.97Å; M74-V79 HydrophobicContact CB-CG2 4.07Å; M74-V79 HydrophobicContact CE-CG2 3.9Å; M74-V79 HydrophobicContact SD-CG2 4.35Å; D75-V79 PolarHBondContact O-N 3.24Å; R76-V79 PolarHBondContact O-N 3.01Å; V79-T81 VanDerWaalsContact C-N 3.28Å; V79-T81 PolarHBondContact O-N 3.28Å; V79-H82 WeakPolarHBondContact O-CA 3.39Å; V79-H82 VanDerWaalsContact O-CB 3.31Å; V79-H82 WeakPolarHBondContact O-CB 3.32Å; V79-H82 PolarHBondContact O-N 2.89Å; V79-L83 HydrophobicContact CG1-CD1 4.18Å; V79-L83 HydrophobicContact CG1-CG 4.31Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.23Å
80	E	83.9	Confident	85.7	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-54.7	-42.6	174.5	-78.6	177.6	170.8	0	0	112.7	Y60 R76 L84 I190	Y60-E80 HydrophobicContact CE2-CG 3.55Å; Y60-E80 WeakPolarHBondContact OH-CG 3.5Å; Y60-E80 PolarHBondContact OH-OE1 3.24Å; R76-E80 HydrophobicContact CG-CG 4.4Å; R76-E80 WeakPolarHBondContact CG-OE1 3.39Å; R76-E80 IonicContact CZ-OE1 2.9Å; R76-E80 IonicContact NE-OE1 2.61Å; R76-E80 PolarHBondContact NE-OE1 2.98Å; R76-E80 IonicContact NH2-OE1 3.78Å; R76-E80 PolarHBondContact NH2-OE1 3.43Å; R76-E80 WeakPolarHBondContact O-CB 3.47Å; R76-E80 WeakPolarHBondContact O-CG 3.31Å; R76-E80 PolarHBondContact O-N 3.35Å; E80-L84 WeakPolarHBondContact O-CD1 3.5Å; E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 3.17Å; E80-I190 HydrophobicContact CB-CD1 3.4Å; E80-I190 VanDerWaalsContact CB-CD1 3.4Å; E80-I190 HydrophobicContact CB-CG1 3.92Å; E80-I190 HydrophobicContact CG-CD1 3.46Å; E80-I190 VanDerWaalsContact CG-CD1 3.46Å; E80-I190 HydrophobicContact CG-CG1 3.71Å; E80-I190 WeakPolarHBondContact OE2-CG1 3.29Å
81	T	84.7	Confident	85.6	Confident	64 Å²	64	65 Å²	65	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-36.4	175.6	-55.8	0	0	0	0	111.9	K77 A78 V79 L84	K77-T81 WeakPolarHBondContact O-CB 3.15Å; K77-T81 PolarHBondContact O-N 3.41Å; K77-T81 PolarHBondContact O-OG1 3.45Å; A78-T81 PolarHBondContact O-N 3.26Å; V79-T81 VanDerWaalsContact C-N 3.28Å; V79-T81 PolarHBondContact O-N 3.28Å; T81-L84 PolarHBondContact O-N 2.92Å
82	H	85.3	Confident	85.6	Confident	56 Å²	56	65.7 Å²	65.7	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-46.2	176.1	-172.4	91.1	0	0	0	111.4	G53 A78 V79 L84 R85 N86	G53-H82 WeakPolarHBondContact CA-NE2 3.41Å; A78-H82 WeakPolarHBondContact O-CB 3.43Å; A78-H82 PolarHBondContact O-N 2.84Å; V79-H82 WeakPolarHBondContact O-CA 3.39Å; V79-H82 VanDerWaalsContact O-CB 3.31Å; V79-H82 WeakPolarHBondContact O-CB 3.32Å; V79-H82 PolarHBondContact O-N 2.89Å; H82-L84 PolarHBondContact O-N 2.84Å; H82-R85 PolarHBondContact O-N 3.39Å; H82-N86 PolarHBondContact CE1-ND2 3.06Å; H82-N86 PolarHBondContact ND1-ND2 3.44Å; H82-N86 PolarHBondContact NE2-ND2 3.18Å; H82-N86 PolarHBondContact O-N 3.05Å
83	L	84.6	Confident	85.8	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-19.2	178.4	-68.6	175	0	0	0	114.1	E57 Y60 V79 H88 Q187	E57-L83 HydrophobicContact CB-CD2 3.85Å; E57-L83 VanDerWaalsContact CD-CD2 3.43Å; E57-L83 HydrophobicContact CG-CD2 3.65Å; Y60-L83 HydrophobicContact CD1-CD1 3.9Å; Y60-L83 HydrophobicContact CE1-CD1 4.08Å; Y60-L83 HydrophobicContact CG-CD1 4.5Å; V79-L83 HydrophobicContact CG1-CD1 4.18Å; V79-L83 HydrophobicContact CG1-CG 4.31Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.23Å; L83-H88 PolarHBondContact O-NE2 3.28Å; L83-Q187 PolarHBondContact O-NE2 3.14Å
84	L	81.5	Confident	86	Confident	73 Å²	73	56.1 Å²	56.1	38%	0.382	28%	0.281	S	S	.	.	H	α-helix	trans	-81.3	-23.3	174	-79.7	159.9	0	0	0	112.8	E80 T81 H82 I190	E80-L84 WeakPolarHBondContact O-CD1 3.5Å; E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 3.17Å; T81-L84 PolarHBondContact O-N 2.92Å; H82-L84 PolarHBondContact O-N 2.84Å; L84-I190 HydrophobicContact CD1-CG2 4.49Å
85	R	79.1	Confident	86.1	Confident	203 Å²	203	54.6 Å²	54.6	77%	0.766	27%	0.274	S	S	*	.	H	α-helix	trans	-108	-25.7	-171.2	-69.6	-177.4	176.7	-176.7	-0.1	113.5	H82	H82-R85 PolarHBondContact O-N 3.39Å
86	N	78.5	Confident	86.4	Confident	70 Å²	70	50.7 Å²	50.7	37%	0.374	25%	0.253	S	S	.	.	S	Bend	trans	-116	152.6	-173.8	-63	-47.2	0	0	0	111.6	H82	H82-N86 PolarHBondContact CE1-ND2 3.06Å; H82-N86 PolarHBondContact ND1-ND2 3.44Å; H82-N86 PolarHBondContact NE2-ND2 3.18Å; H82-N86 PolarHBondContact O-N 3.05Å
87	P	77.9	Confident	86.8	Confident	118 Å²	118	46.1 Å²	46.1	77%	0.766	24%	0.236	S	C	*	.			trans	-60	145.2	171.3	25.7	-32.9	0	0	0	110.5
88	H	84.4	Confident	87.1	Confident	54 Å²	54	39.5 Å²	39.5	25%	0.25	21%	0.209	C	C	.	.			trans	-80.8	142.4	-179	-57.3	158.7	0	0	0	110.6	E57 L83 V90 D92	E57-H88 WeakPolarHBondContact OE1-CB 3.31Å; E57-H88 IonicContact OE1-CG 3.84Å; E57-H88 WeakPolarHBondContact OE2-CA 3.25Å; L83-H88 PolarHBondContact O-NE2 3.28Å; H88-V90 VanDerWaalsContact C-N 3.3Å; H88-V90 WeakPolarHBondContact CB-O 3.29Å; H88-D92 IonicContact ND1-OD1 2.74Å
89	L	87.1	Confident	87.3	Confident	24 Å²	24	38 Å²	38	13%	0.126	20%	0.195	C	C	.	.	S	Bend	trans	-65.9	-39.6	169.3	179.7	68.9	0	0	0	110.2	V28 K49 L50 D54 E57 L58	V28-L89 HydrophobicContact CG1-CD1 3.98Å; V28-L89 HydrophobicContact CG2-CD1 4.28Å; V28-L89 HydrophobicContact CG2-CG 4.34Å; V28-L89 WeakPolarHBondContact CG2-O 3.5Å; K49-L89 WeakPolarHBondContact O-CD1 3.16Å; L50-L89 HydrophobicContact CD1-CD2 4.34Å; D54-L89 HydrophobicContact CB-CB 4.08Å; D54-L89 HydrophobicContact CB-CD1 4.38Å; D54-L89 HydrophobicContact CB-CD2 3.87Å; D54-L89 HydrophobicContact CB-CG 4.3Å; E57-L89 PolarHBondContact OE2-N 2.96Å; L58-L89 HydrophobicContact CD1-CD2 3.88Å; L58-L89 HydrophobicContact CD2-CD2 4.04Å; L58-L89 HydrophobicContact CG-CD2 3.96Å
90	V	89.5	Confident	87.6	Confident	3 Å²	3	38 Å²	38	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-104.8	141	-171.9	-127.4	0	0	0	0	112	L24 E57 L58 H88 R94	L24-V90 VanDerWaalsContact C-CG1 3.42Å; L24-V90 HydrophobicContact CB-CG1 3.78Å; L24-V90 HydrophobicContact CD2-CG1 4.13Å; L24-V90 WeakPolarHBondContact O-CG1 3.33Å; E57-V90 HydrophobicContact CG-CG2 4.02Å; L58-V90 HydrophobicContact CD2-CG2 4.07Å; H88-V90 VanDerWaalsContact C-N 3.3Å; H88-V90 WeakPolarHBondContact CB-O 3.29Å; V90-R94 HydrophobicContact CG1-CB 4.26Å
91	S	89.1	Confident	88	Confident	42 Å²	42	38.2 Å²	38.2	29%	0.294	20%	0.201	S	C	.	.			trans	-70	142.3	179.1	72.2	0	0	0	0	112	D27 Y93 R94 V95	D27-S91 PolarHBondContact OD2-OG 2.72Å; S91-Y93 PolarHBondContact O-N 3.25Å; S91-Y93 VanDerWaalsContact O-N 3.1Å; S91-R94 PolarHBondContact O-N 2.96Å; S91-R94 WeakPolarHBondContact OG-CG 3.44Å; S91-R94 PolarHBondContact OG-N 2.61Å; S91-V95 VanDerWaalsContact O-CG2 3.27Å; S91-V95 WeakPolarHBondContact O-CG2 3.49Å; S91-V95 PolarHBondContact O-N 3Å
92	D	89	Confident	88.2	Confident	38 Å²	38	38.7 Å²	38.7	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-52.4	-34.3	178.1	-76.5	-20.9	0	0	0	112.5	H88 V95 L96 Y171 S181 Y182	H88-D92 IonicContact ND1-OD1 2.74Å; D92-V95 WeakPolarHBondContact O-CB 3.47Å; D92-V95 PolarHBondContact O-N 3.3Å; D92-L96 PolarHBondContact O-N 3.13Å; D92-Y171 HydrophobicContact CB-CE2 3.89Å; D92-S181 PolarHBondContact OD2-OG 3.11Å; D92-Y182 HydrophobicContact CB-CD1 4.2Å
93	Y	92.6	Very high	88.5	Confident	3 Å²	3	39 Å²	39	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-46.8	174.5	166.3	-102.8	0	0	0	112.6	S91 V95 L96 M97 V135 E139 V144 P146 L149	S91-Y93 PolarHBondContact O-N 3.25Å; S91-Y93 VanDerWaalsContact O-N 3.1Å; Y93-V95 VanDerWaalsContact C-N 3.27Å; Y93-V95 PolarHBondContact O-N 3.47Å; Y93-L96 WeakPolarHBondContact O-CB 3.5Å; Y93-L96 PolarHBondContact O-N 2.71Å; Y93-M97 HydrophobicContact CD2-CE 4.05Å; Y93-M97 HydrophobicContact CD2-CG 4.22Å; Y93-M97 HydrophobicContact CE1-CG 4.27Å; Y93-M97 HydrophobicContact CE2-CE 3.7Å; Y93-M97 HydrophobicContact CE2-CG 3.74Å; Y93-M97 HydrophobicContact CE2-SD 4.09Å; Y93-M97 WeakPolarHBondContact O-CG 3.31Å; Y93-M97 PolarHBondContact O-N 2.69Å; Y93-V135 WeakPolarHBondContact OH-CG1 3.44Å; Y93-E139 WeakPolarHBondContact CE1-OE1 3.41Å; Y93-E139 VanDerWaalsContact CZ-OE1 3.3Å; Y93-E139 PolarHBondContact OH-OE1 2.67Å; Y93-V144 HydrophobicContact CE2-CG1 4.23Å; Y93-V144 WeakPolarHBondContact OH-CG1 3.48Å; Y93-P146 HydrophobicContact CD1-CG 3.92Å; Y93-P146 HydrophobicContact CD2-CB 4.31Å; Y93-P146 HydrophobicContact CD2-CG 4.22Å; Y93-P146 HydrophobicContact CE1-CG 4.48Å; Y93-P146 HydrophobicContact CG-CB 4.13Å; Y93-P146 HydrophobicContact CG-CG 3.78Å; Y93-L149 HydrophobicContact CD2-CD2 4.3Å; Y93-L149 HydrophobicContact CE2-CD2 3.82Å
94	R	93.3	Very high	88.8	Confident	15 Å²	15	39.5 Å²	39.5	6%	0.057	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-37.9	178.1	-68	-71.3	178	-161.8	-5.9	111.2	F23 L24 D27 V90 S91 M97 A98 E139	F23-R94 HydrophobicContact CE1-CB 4.44Å; L24-R94 HydrophobicContact CD2-CB 4.24Å; D27-R94 IonicContact OD1-CZ 3.3Å; D27-R94 VanDerWaalsContact OD1-CZ 3.28Å; D27-R94 IonicContact OD1-NE 3.2Å; D27-R94 PolarHBondContact OD1-NE 3.37Å; D27-R94 IonicContact OD1-NH2 2.67Å; D27-R94 PolarHBondContact OD1-NH2 3.1Å; D27-R94 VanDerWaalsContact OD2-CG 3.22Å; D27-R94 WeakPolarHBondContact OD2-CG 3.46Å; D27-R94 IonicContact OD2-NE 2.68Å; D27-R94 PolarHBondContact OD2-NE 3.38Å; V90-R94 HydrophobicContact CG1-CB 4.26Å; S91-R94 PolarHBondContact O-N 2.96Å; S91-R94 WeakPolarHBondContact OG-CG 3.44Å; S91-R94 PolarHBondContact OG-N 2.61Å; R94-M97 PolarHBondContact O-N 3.09Å; R94-A98 WeakPolarHBondContact O-CB 3.47Å; R94-A98 PolarHBondContact O-N 3.26Å; R94-E139 IonicContact CZ-OE1 3.15Å; R94-E139 IonicContact CZ-OE2 2.55Å; R94-E139 VanDerWaalsContact NH1-CD 3.27Å; R94-E139 IonicContact NH1-OE1 2.93Å; R94-E139 PolarHBondContact NH1-OE1 2.72Å; R94-E139 IonicContact NH1-OE2 2.82Å; R94-E139 PolarHBondContact NH1-OE2 2.68Å; R94-E139 IonicContact NH2-OE1 3.62Å; R94-E139 IonicContact NH2-OE2 2.72Å; R94-E139 PolarHBondContact NH2-OE2 3.29Å; R94-E139 VanDerWaalsContact NH2-OE2 3.11Å
95	V	91.6	Very high	89.2	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-47.5	174.2	-160.7	0	0	0	0	111.2	S91 D92 Y93 M97 A98 E99 N184	S91-V95 VanDerWaalsContact O-CG2 3.27Å; S91-V95 WeakPolarHBondContact O-CG2 3.49Å; S91-V95 PolarHBondContact O-N 3Å; D92-V95 WeakPolarHBondContact O-CB 3.47Å; D92-V95 PolarHBondContact O-N 3.3Å; Y93-V95 VanDerWaalsContact C-N 3.27Å; Y93-V95 PolarHBondContact O-N 3.47Å; V95-M97 VanDerWaalsContact C-N 3.32Å; V95-M97 PolarHBondContact O-N 2.94Å; V95-A98 PolarHBondContact O-N 3.34Å; V95-E99 HydrophobicContact CG1-CG 4.44Å; V95-E99 WeakPolarHBondContact O-CB 3.33Å; V95-E99 WeakPolarHBondContact O-CG 3.16Å; V95-E99 PolarHBondContact O-N 3.26Å; V95-N184 HydrophobicContact CG1-CB 3.95Å
96	L	93.8	Very high	89.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-45.6	178.7	174.9	70.7	0	0	0	111.1	D92 Y93 E99 I100 L149 K167 I168 Y171 Y182	D92-L96 PolarHBondContact O-N 3.13Å; Y93-L96 WeakPolarHBondContact O-CB 3.5Å; Y93-L96 PolarHBondContact O-N 2.71Å; L96-E99 PolarHBondContact O-N 2.88Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.33Å; L96-I100 HydrophobicContact CG-CD1 3.88Å; L96-I100 WeakPolarHBondContact O-CB 3.37Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 2.83Å; L96-L149 HydrophobicContact CD2-CD1 4Å; L96-K167 HydrophobicContact CD1-CB 4.03Å; L96-I168 HydrophobicContact CD2-CG1 4.4Å; L96-Y171 HydrophobicContact CB-CD2 4.46Å; L96-Y171 HydrophobicContact CD2-CD1 3.86Å; L96-Y171 HydrophobicContact CD2-CD2 3.95Å; L96-Y171 HydrophobicContact CD2-CG 3.55Å; L96-Y182 HydrophobicContact CB-CE1 4.29Å; L96-Y182 HydrophobicContact CD1-CE1 4.48Å; L96-Y182 WeakPolarHBondContact CD1-OH 3.33Å
97	M	95	Very high	90.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-40.2	179.8	-65.1	-60	122.2	0	0	111.9	F23 Y93 R94 V95 I100 G101 F131 V135 L149 L152	F23-M97 HydrophobicContact CE1-CB 3.71Å; F23-M97 HydrophobicContact CZ-CB 3.61Å; F23-M97 HydrophobicContact CZ-CG 4.28Å; Y93-M97 HydrophobicContact CD2-CE 4.05Å; Y93-M97 HydrophobicContact CD2-CG 4.22Å; Y93-M97 HydrophobicContact CE1-CG 4.27Å; Y93-M97 HydrophobicContact CE2-CE 3.7Å; Y93-M97 HydrophobicContact CE2-CG 3.74Å; Y93-M97 HydrophobicContact CE2-SD 4.09Å; Y93-M97 WeakPolarHBondContact O-CG 3.31Å; Y93-M97 PolarHBondContact O-N 2.69Å; R94-M97 PolarHBondContact O-N 3.09Å; V95-M97 VanDerWaalsContact C-N 3.32Å; V95-M97 PolarHBondContact O-N 2.94Å; M97-I100 HydrophobicContact CE-CD1 4.24Å; M97-I100 PolarHBondContact O-N 3.36Å; M97-G101 PolarHBondContact O-N 2.96Å; M97-F131 WeakPolarHBondContact O-CE1 3.42Å; M97-F131 HydrophobicContact SD-CE1 4.48Å; M97-F131 HydrophobicContact SD-CZ 4.48Å; M97-V135 HydrophobicContact CB-CG1 4.45Å; M97-V135 HydrophobicContact CG-CG1 4.01Å; M97-V135 HydrophobicContact CG-CG2 4.46Å; M97-V135 HydrophobicContact SD-CG1 4.13Å; M97-V135 HydrophobicContact SD-CG2 3.89Å; M97-L149 HydrophobicContact CE-CD1 4.48Å; M97-L149 HydrophobicContact CE-CD2 3.77Å; M97-L152 HydrophobicContact CE-CD2 3.92Å; M97-L152 HydrophobicContact SD-CD2 3.75Å
98	A	92.9	Very high	90.8	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-48.5	173.5	0	0	0	0	0	112	M20 L24 R94 V95 I100 G101 E102	M20-A98 HydrophobicContact CG-CB 4.31Å; M20-A98 HydrophobicContact SD-CB 4.08Å; L24-A98 HydrophobicContact CD2-CB 3.98Å; R94-A98 WeakPolarHBondContact O-CB 3.47Å; R94-A98 PolarHBondContact O-N 3.26Å; V95-A98 PolarHBondContact O-N 3.34Å; A98-I100 VanDerWaalsContact C-N 3.3Å; A98-I100 PolarHBondContact O-N 2.97Å; A98-G101 PolarHBondContact O-N 3.37Å; A98-G101 VanDerWaalsContact O-N 3.11Å; A98-E102 PolarHBondContact O-N 2.8Å
99	E	91.5	Very high	91.1	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-34.8	177.5	-74.1	-175.8	161.3	0	0	112.9	V95 L96 D103 Y182 N184 V185	V95-E99 HydrophobicContact CG1-CG 4.44Å; V95-E99 WeakPolarHBondContact O-CB 3.33Å; V95-E99 WeakPolarHBondContact O-CG 3.16Å; V95-E99 PolarHBondContact O-N 3.26Å; L96-E99 PolarHBondContact O-N 2.88Å; E99-D103 PolarHBondContact O-N 3.17Å; E99-Y182 PolarHBondContact OE2-OH 3.32Å; E99-N184 WeakPolarHBondContact OE1-CB 3.22Å; E99-V185 PolarHBondContact OE1-N 2.84Å; E99-V185 VanDerWaalsContact OE1-N 3.11Å
100	I	93.4	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-43.1	174.4	-72.2	171	0	0	0	109.8	L96 M97 A98 D103 L104 F131 L164 I168	L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.33Å; L96-I100 HydrophobicContact CG-CD1 3.88Å; L96-I100 WeakPolarHBondContact O-CB 3.37Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 2.83Å; M97-I100 HydrophobicContact CE-CD1 4.24Å; M97-I100 PolarHBondContact O-N 3.36Å; A98-I100 VanDerWaalsContact C-N 3.3Å; A98-I100 PolarHBondContact O-N 2.97Å; I100-D103 PolarHBondContact O-N 3.34Å; I100-L104 HydrophobicContact CG2-CD1 3.76Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CD1 3.25Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.34Å; I100-L104 PolarHBondContact O-N 3.42Å; I100-F131 HydrophobicContact CB-CE1 3.91Å; I100-F131 HydrophobicContact CB-CZ 4.23Å; I100-F131 HydrophobicContact CG2-CD1 4.27Å; I100-F131 HydrophobicContact CG2-CE1 3.51Å; I100-F131 HydrophobicContact CG2-CE2 4.09Å; I100-F131 HydrophobicContact CG2-CZ 3.4Å; I100-F131 VanDerWaalsContact CG2-CZ 3.4Å; I100-L164 HydrophobicContact CG2-CD1 4.26Å; I100-I168 HydrophobicContact CD1-CD1 3.99Å; I100-I168 HydrophobicContact CD1-CG1 3.66Å
101	G	92.3	Very high	91.3	Very high	17 Å²	17	37.9 Å²	37.9	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.3	0	0	0	0	0	113.3	M97 A98 D103 L104	M97-G101 PolarHBondContact O-N 2.96Å; A98-G101 PolarHBondContact O-N 3.37Å; A98-G101 VanDerWaalsContact O-N 3.11Å; G101-D103 VanDerWaalsContact C-N 3.27Å; G101-D103 PolarHBondContact O-N 3.3Å; G101-L104 PolarHBondContact O-N 3.21Å
102	E	89.9	Confident	91.3	Very high	73 Å²	73	35.9 Å²	35.9	34%	0.341	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-33.4	177.4	-72.6	-171.4	131.2	0	0	113.1	M20 R63 A98	M20-E102 HydrophobicContact SD-CG 4.16Å; R63-E102 WeakPolarHBondContact CD-OE1 3.27Å; R63-E102 IonicContact CZ-OE1 3.98Å; R63-E102 IonicContact CZ-OE2 2.65Å; R63-E102 IonicContact NE-OE1 3.81Å; R63-E102 PolarHBondContact NE-OE1 2.89Å; R63-E102 VanDerWaalsContact NE-OE1 3.1Å; R63-E102 IonicContact NE-OE2 2.84Å; R63-E102 PolarHBondContact NE-OE2 2.96Å; R63-E102 IonicContact NH2-OE2 2.8Å; R63-E102 PolarHBondContact NH2-OE2 2.72Å; A98-E102 PolarHBondContact O-N 2.8Å
103	D	90.5	Very high	91.3	Very high	63 Å²	63	34.9 Å²	34.9	34%	0.337	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5	-177.2	-74.9	-21.4	0	0	0	112.8	E99 I100 G101 R161 L164 K167	E99-D103 PolarHBondContact O-N 3.17Å; I100-D103 PolarHBondContact O-N 3.34Å; G101-D103 VanDerWaalsContact C-N 3.27Å; G101-D103 PolarHBondContact O-N 3.3Å; D103-R161 VanDerWaalsContact O-CZ 3.23Å; D103-R161 PolarHBondContact O-NH1 3.07Å; D103-R161 PolarHBondContact O-NH2 3.15Å; D103-L164 HydrophobicContact CB-CD2 3.67Å; D103-K167 WeakPolarHBondContact OD2-CE 3.44Å; D103-K167 IonicContact OD2-NZ 3.09Å; D103-K167 PolarHBondContact OD2-NZ 2.86Å
104	L	91.4	Very high	90.9	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.089	22%	0.222	C	C	.	.			trans	-95.1	132.1	177.9	-73.3	165.1	0	0	0	110.7	I100 G101 D108 V109 L112 F131 L156 I159 R161 L164	I100-L104 HydrophobicContact CG2-CD1 3.76Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CD1 3.25Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.34Å; I100-L104 PolarHBondContact O-N 3.42Å; G101-L104 PolarHBondContact O-N 3.21Å; L104-D108 HydrophobicContact CB-CB 4.31Å; L104-D108 HydrophobicContact CD2-CB 3.53Å; L104-V109 HydrophobicContact CB-CG2 3.97Å; L104-L112 HydrophobicContact CD1-CD1 3.71Å; L104-L112 HydrophobicContact CD2-CD1 4.03Å; L104-F131 HydrophobicContact CD1-CB 4.15Å; L104-F131 HydrophobicContact CD1-CD1 4.18Å; L104-F131 HydrophobicContact CD1-CD2 3.33Å; L104-F131 HydrophobicContact CD1-CE1 4.48Å; L104-F131 HydrophobicContact CD1-CE2 3.7Å; L104-F131 HydrophobicContact CD1-CG 3.6Å; L104-F131 HydrophobicContact CD1-CZ 4.27Å; L104-L156 HydrophobicContact CD2-CD2 4.19Å; L104-I159 HydrophobicContact CD2-CD1 4.12Å; L104-R161 HydrophobicContact CD2-CG 4.33Å; L104-L164 HydrophobicContact CD1-CD1 4.43Å; L104-L164 HydrophobicContact CD2-CD1 3.44Å; L104-L164 VanDerWaalsContact CD2-CD1 3.44Å; L104-L164 HydrophobicContact CG-CD1 3.63Å
105	D	89.7	Confident	90.6	Very high	89 Å²	89	42.9 Å²	42.9	48%	0.476	23%	0.232	S	C	.	.			trans	-84.9	172.4	170.9	74.5	30.1	0	0	0	112.1	S107 D108 V109	D105-S107 PolarHBondContact O-N 3.3Å; D105-S107 VanDerWaalsContact OD1-CA 3.31Å; D105-S107 WeakPolarHBondContact OD1-CA 3.17Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.38Å; D105-S107 PolarHBondContact OD1-N 2.98Å; D105-D108 PolarHBondContact O-N 2.71Å; D105-D108 PolarHBondContact OD1-N 3.21Å; D105-V109 WeakPolarHBondContact O-CG2 3.4Å; D105-V109 PolarHBondContact O-N 3.1Å
106	K	88.9	Confident	90.2	Very high	189 Å²	189	42.7 Å²	42.7	82%	0.822	23%	0.231	S	C	*	.	H	α-helix	trans	-59.9	-30.8	-179.6	-65.5	-175.2	179.1	-175.6	0	113.1	S110	K106-S110 WeakPolarHBondContact O-CB 3.2Å; K106-S110 PolarHBondContact O-N 2.71Å; K106-S110 VanDerWaalsContact O-N 3.07Å; K106-S110 PolarHBondContact O-OG 3.16Å
107	S	89.1	Confident	89.5	Confident	77 Å²	77	46.9 Å²	46.9	54%	0.538	25%	0.249	S	C	.	.	H	α-helix	trans	-73.6	-41.9	178.6	178.1	0	0	0	0	111	D105 S110 S111	D105-S107 PolarHBondContact O-N 3.3Å; D105-S107 VanDerWaalsContact OD1-CA 3.31Å; D105-S107 WeakPolarHBondContact OD1-CA 3.17Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.38Å; D105-S107 PolarHBondContact OD1-N 2.98Å; S107-S110 PolarHBondContact O-N 2.87Å; S107-S111 WeakPolarHBondContact O-CB 3.27Å; S107-S111 PolarHBondContact O-N 2.88Å; S107-S111 PolarHBondContact O-OG 3.4Å
108	D	92.3	Very high	88.5	Confident	23 Å²	23	53.6 Å²	53.6	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-47.1	175.1	-69.6	-29.8	0	0	0	110.9	L104 D105 S110 S111 L112 I159 R161	L104-D108 HydrophobicContact CB-CB 4.31Å; L104-D108 HydrophobicContact CD2-CB 3.53Å; D105-D108 PolarHBondContact O-N 2.71Å; D105-D108 PolarHBondContact OD1-N 3.21Å; D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 PolarHBondContact O-N 2.94Å; D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 3.48Å; D108-S111 VanDerWaalsContact O-N 3.13Å; D108-L112 WeakPolarHBondContact O-CG 3.47Å; D108-L112 PolarHBondContact O-N 3.24Å; D108-I159 HydrophobicContact CB-CD1 3.9Å; D108-R161 IonicContact OD2-CZ 3.59Å; D108-R161 IonicContact OD2-NH1 2.84Å; D108-R161 PolarHBondContact OD2-NH1 3.21Å
109	V	91.1	Very high	87.5	Confident	17 Å²	17	58.5 Å²	58.5	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-44.9	176.5	176.7	0	0	0	0	110.7	L104 D105 S111 L112 I113 F131	L104-V109 HydrophobicContact CB-CG2 3.97Å; D105-V109 WeakPolarHBondContact O-CG2 3.4Å; D105-V109 PolarHBondContact O-N 3.1Å; V109-S111 VanDerWaalsContact C-N 3.28Å; V109-S111 PolarHBondContact O-N 2.97Å; V109-L112 PolarHBondContact O-N 2.92Å; V109-I113 HydrophobicContact CG1-CD1 3.78Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 WeakPolarHBondContact O-CB 3.4Å; V109-I113 VanDerWaalsContact O-CG1 3.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.74Å; V109-F131 HydrophobicContact CG2-CB 4.02Å
110	S	89.8	Confident	86.4	Confident	72 Å²	72	59.7 Å²	59.7	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-39.1	176.2	-63	0	0	0	0	112.3	K106 S107 D108 F114	K106-S110 WeakPolarHBondContact O-CB 3.2Å; K106-S110 PolarHBondContact O-N 2.71Å; K106-S110 VanDerWaalsContact O-N 3.07Å; K106-S110 PolarHBondContact O-OG 3.16Å; S107-S110 PolarHBondContact O-N 2.87Å; D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 PolarHBondContact O-N 2.94Å; S110-F114 WeakPolarHBondContact O-CB 3.33Å; S110-F114 PolarHBondContact O-N 2.85Å
111	S	90.5	Very high	84.8	Confident	44 Å²	44	61.5 Å²	61.5	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-69.5	-40.8	178.1	-59.9	0	0	0	0	111.9	S107 D108 V109 F114 L115	S107-S111 WeakPolarHBondContact O-CB 3.27Å; S107-S111 PolarHBondContact O-N 2.88Å; S107-S111 PolarHBondContact O-OG 3.4Å; D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 3.48Å; D108-S111 VanDerWaalsContact O-N 3.13Å; V109-S111 VanDerWaalsContact C-N 3.28Å; V109-S111 PolarHBondContact O-N 2.97Å; S111-F114 WeakPolarHBondContact O-CB 3.47Å; S111-F114 PolarHBondContact O-N 3.17Å; S111-L115 WeakPolarHBondContact O-CG 3.44Å; S111-L115 PolarHBondContact O-N 3.34Å
112	L	89.5	Confident	83	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-49.4	172.9	-73.1	172.6	0	0	0	111.3	L104 D108 V109 F114 L115 M116 F131 L134 C155 L156 I159	L104-L112 HydrophobicContact CD1-CD1 3.71Å; L104-L112 HydrophobicContact CD2-CD1 4.03Å; D108-L112 WeakPolarHBondContact O-CG 3.47Å; D108-L112 PolarHBondContact O-N 3.24Å; V109-L112 PolarHBondContact O-N 2.92Å; L112-F114 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 2.99Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.24Å; L112-M116 WeakPolarHBondContact O-CG 3.5Å; L112-M116 PolarHBondContact O-N 3.3Å; L112-F131 HydrophobicContact CD1-CD2 4Å; L112-F131 HydrophobicContact CD1-CE2 3.99Å; L112-L134 HydrophobicContact CB-CD2 3.99Å; L112-C155 HydrophobicContact CD2-CB 3.69Å; L112-L156 HydrophobicContact CD1-CD2 4.08Å; L112-L156 HydrophobicContact CD2-CD2 4.19Å; L112-I159 HydrophobicContact CD1-CD1 4.15Å; L112-I159 HydrophobicContact CD2-CD1 3.89Å; L112-I159 HydrophobicContact CD2-CG1 4.08Å; L112-I159 HydrophobicContact CD2-CG2 4.29Å; L112-I159 HydrophobicContact CG-CD1 3.73Å; L112-I159 HydrophobicContact CG-CG1 4.43Å
113	I	87.4	Confident	81.3	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-53.7	-45	175.4	-75.5	175.1	0	0	0	110.1	V109 M116 K117 I125 K129 L134	V109-I113 HydrophobicContact CG1-CD1 3.78Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 WeakPolarHBondContact O-CB 3.4Å; V109-I113 VanDerWaalsContact O-CG1 3.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.74Å; I113-M116 PolarHBondContact O-N 2.89Å; I113-K117 WeakPolarHBondContact O-CG 3.5Å; I113-K117 PolarHBondContact O-N 3.16Å; I113-K117 VanDerWaalsContact O-N 3.09Å; I113-I125 HydrophobicContact CG2-CB 4.48Å; I113-I125 HydrophobicContact CG2-CD1 3.95Å; I113-I125 HydrophobicContact CG2-CG2 3.25Å; I113-K129 HydrophobicContact CD1-CB 4.38Å; I113-L134 HydrophobicContact CG1-CD1 4.32Å; I113-L134 HydrophobicContact CG1-CD2 4.04Å
114	F	85.8	Confident	79.6	Confident	137 Å²	137	74.7 Å²	74.7	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-49.9	177.9	178	-95.5	0	0	0	112.3	S110 S111 L112 M116 K117	S110-F114 WeakPolarHBondContact O-CB 3.33Å; S110-F114 PolarHBondContact O-N 2.85Å; S111-F114 WeakPolarHBondContact O-CB 3.47Å; S111-F114 PolarHBondContact O-N 3.17Å; L112-F114 PolarHBondContact O-N 2.9Å; F114-M116 PolarHBondContact O-N 3.29Å; F114-K117 HydrophobicContact CD2-CD 4.41Å; F114-K117 WeakPolarHBondContact O-CB 3.43Å; F114-K117 PolarHBondContact O-N 2.73Å
115	L	85.6	Confident	77.9	Confident	49 Å²	49	75.8 Å²	75.8	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-28.8	177.2	-69.9	174.3	0	0	0	112.7	S111 L112 C155 N158 I159	S111-L115 WeakPolarHBondContact O-CG 3.44Å; S111-L115 PolarHBondContact O-N 3.34Å; L112-L115 PolarHBondContact O-N 2.99Å; L115-C155 HydrophobicContact CD1-CB 4.47Å; L115-N158 HydrophobicContact CD1-CB 3.62Å; L115-I159 HydrophobicContact CD1-CG2 3.55Å
116	M	83	Confident	76.3	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-89.4	-7.6	-177.2	-67.9	179.8	175.5	0	0	113.7	L112 I113 F114 D118 Y119 M120 L134 L138 L152 C155	L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.24Å; L112-M116 WeakPolarHBondContact O-CG 3.5Å; L112-M116 PolarHBondContact O-N 3.3Å; I113-M116 PolarHBondContact O-N 2.89Å; F114-M116 PolarHBondContact O-N 3.29Å; M116-D118 PolarHBondContact O-N 3.43Å; M116-Y119 PolarHBondContact O-N 2.99Å; M116-M120 WeakPolarHBondContact O-CG 3.5Å; M116-M120 PolarHBondContact O-N 3.42Å; M116-L134 HydrophobicContact SD-CD1 3.91Å; M116-L134 HydrophobicContact SD-CD2 3.74Å; M116-L134 HydrophobicContact SD-CG 4.03Å; M116-L138 HydrophobicContact CE-CD1 3.9Å; M116-L138 HydrophobicContact SD-CD1 3.5Å; M116-L138 WeakPolarHBondContact SD-CD1 3.33Å; M116-L138 HydrophobicContact SD-CD2 4Å; M116-L138 HydrophobicContact SD-CG 4.26Å; M116-L152 HydrophobicContact CE-CD1 3.72Å; M116-C155 HydrophobicContact CE-CB 3.61Å; M116-C155 VanDerWaalsContact CE-SG 3.57Å
117	K	80.3	Confident	74.8	Confident	88 Å²	88	76.3 Å²	76.3	38%	0.383	40%	0.403	S	S	.	.	H	α-helix	trans	-55.8	-37.4	176.7	-86.3	174.7	-179.1	-178	0	113.3	I113 F114 Y119 G121 I125	I113-K117 WeakPolarHBondContact O-CG 3.5Å; I113-K117 PolarHBondContact O-N 3.16Å; I113-K117 VanDerWaalsContact O-N 3.09Å; F114-K117 HydrophobicContact CD2-CD 4.41Å; F114-K117 WeakPolarHBondContact O-CB 3.43Å; F114-K117 PolarHBondContact O-N 2.73Å; K117-Y119 PolarHBondContact O-N 3.39Å; K117-G121 PolarHBondContact O-N 3.18Å; K117-I125 HydrophobicContact CB-CD1 4.48Å; K117-I125 HydrophobicContact CD-CD1 4.48Å; K117-I125 HydrophobicContact CG-CD1 3.46Å; K117-I125 VanDerWaalsContact CG-CD1 3.46Å
118	D	73.3	Confident	73.6	Confident	141 Å²	141	81.4 Å²	81.4	75%	0.754	42%	0.418	S	S	*	.	H	α-helix	trans	-67.8	-21.8	-179.6	-65.3	-24.6	0	0	0	112.1	M116	M116-D118 PolarHBondContact O-N 3.43Å
119	Y	72	Confident	72.8	Confident	110 Å²	110	82.4 Å²	82.4	43%	0.431	42%	0.422	S	S	.	.	H	α-helix	trans	-98.3	-30.9	-179.5	-58.4	-84.1	0	0	0	113.1	M116 K117 L151	M116-Y119 PolarHBondContact O-N 2.99Å; K117-Y119 PolarHBondContact O-N 3.39Å; Y119-L151 HydrophobicContact CD1-CD1 4.33Å; Y119-L151 HydrophobicContact CD2-CD1 4.3Å; Y119-L151 HydrophobicContact CE1-CD1 3.99Å; Y119-L151 HydrophobicContact CE2-CD1 3.93Å; Y119-L151 HydrophobicContact CG-CD1 4.48Å; Y119-L151 HydrophobicContact CG-CD2 4.44Å
120	M	68.9	Low	72.7	Confident	31 Å²	31	83.4 Å²	83.4	15%	0.153	43%	0.43	C	S	.	.	H	α-helix	trans	-92.4	-5.4	-175.6	-60.1	-154.9	-60.6	0	0	114.7	M116 I125 L134 E137 L138 L141	M116-M120 WeakPolarHBondContact O-CG 3.5Å; M116-M120 PolarHBondContact O-N 3.42Å; M120-I125 HydrophobicContact CE-CD1 3.54Å; M120-I125 HydrophobicContact CE-CG1 3.85Å; M120-L134 HydrophobicContact CE-CD1 3.4Å; M120-L134 VanDerWaalsContact CE-CD1 3.4Å; M120-L134 HydrophobicContact SD-CD1 3.8Å; M120-E137 HydrophobicContact SD-CB 4.06Å; M120-L138 HydrophobicContact CG-CD2 3.98Å; M120-L138 HydrophobicContact SD-CD2 3.75Å; M120-L138 HydrophobicContact SD-CG 4.23Å; M120-L141 HydrophobicContact CB-CD1 3.91Å; M120-L141 HydrophobicContact CG-CD1 3.67Å; M120-L141 HydrophobicContact SD-CD1 4.26Å
121	G	60.5	Low	72.8	Confident	39 Å²	39	80.2 Å²	80.2	40%	0.402	41%	0.407	S	S	.	.			trans	73.1	146.3	-173.8	0	0	0	0	0	112.1	K117 G123	K117-G121 PolarHBondContact O-N 3.18Å; G121-G123 PolarHBondContact O-N 2.99Å
122	R	54.3	Low	72.9	Confident	246 Å²	246	79.2 Å²	79.2	93%	0.928	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	5	-169.5	-67.8	-169.1	-175.3	-160.1	2.2	115.7
123	G	54.2	Low	72.9	Confident	72 Å²	72	81.9 Å²	81.9	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-14.2	-164.1	0	0	0	0	0	118.5	G121	G121-G123 PolarHBondContact O-N 2.99Å
124	K	54.9	Low	73	Confident	111 Å²	111	81.2 Å²	81.2	48%	0.483	41%	0.409	S	S	.	.			trans	-134.3	26.5	-166.5	-73.9	-166.7	174.4	-170.1	0	117	K129	K124-K129 PolarHBondContact O-NZ 2.84Å
125	I	54.4	Low	73.3	Confident	41 Å²	41	74.7 Å²	74.7	21%	0.21	38%	0.38	C	S	.	.			trans	-106.8	86.8	178.7	-51.3	-177	0	0	0	109.6	I113 K117 M120	I113-I125 HydrophobicContact CG2-CB 4.48Å; I113-I125 HydrophobicContact CG2-CD1 3.95Å; I113-I125 HydrophobicContact CG2-CG2 3.25Å; K117-I125 HydrophobicContact CB-CD1 4.48Å; K117-I125 HydrophobicContact CD-CD1 4.48Å; K117-I125 HydrophobicContact CG-CD1 3.46Å; K117-I125 VanDerWaalsContact CG-CD1 3.46Å; M120-I125 HydrophobicContact CE-CD1 3.54Å; M120-I125 HydrophobicContact CE-CG1 3.85Å
126	S	57	Low	73.5	Confident	80 Å²	80	73 Å²	73	56%	0.559	37%	0.372	S	S	*	.			trans	-55.5	139.8	161.9	-40.7	0	0	0	0	108.8	E128	S126-E128 PolarHBondContact O-N 2.94Å
127	K	57.9	Low	73.7	Confident	208 Å²	208	74.7 Å²	74.7	90%	0.904	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.2	-173.9	-76.6	-179	177.1	177.1	0	114.8
128	E	62.2	Low	74.1	Confident	184 Å²	184	70.5 Å²	70.5	86%	0.86	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	25.5	-169.8	-60.6	-175.8	169.4	0	0	113.5	S126	S126-E128 PolarHBondContact O-N 2.94Å
129	K	76	Confident	74.9	Confident	45 Å²	45	65.2 Å²	65.2	20%	0.196	33%	0.332	C	S	.	.			trans	-75.4	131.5	176.7	-73.8	-171.8	170.4	-177	0	111.4	I113 K124 D133 E137	I113-K129 HydrophobicContact CD1-CB 4.38Å; K124-K129 PolarHBondContact O-NZ 2.84Å; K129-D133 HydrophobicContact CB-CB 3.96Å; K129-D133 HydrophobicContact CD-CB 4.42Å; K129-D133 HydrophobicContact CG-CB 4.21Å; K129-E137 IonicContact NZ-OE2 2.82Å
130	S	88.8	Confident	75.6	Confident	38 Å²	38	65.8 Å²	65.8	27%	0.266	34%	0.337	S	S	.	.			trans	-68.2	167.9	170.8	72.8	0	0	0	0	111	L132 D133 L134	S130-L132 PolarHBondContact O-N 2.93Å; S130-L132 PolarHBondContact OG-N 3.41Å; S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact N-OD2 3.26Å; S130-D133 PolarHBondContact O-N 3.12Å; S130-D133 PolarHBondContact OG-N 3.31Å; S130-D133 PolarHBondContact OG-OD2 2.99Å; S130-L134 PolarHBondContact O-N 3.43Å
131	F	92.6	Very high	76.4	Confident	5 Å²	5	67 Å²	67	2%	0.022	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-36	170.8	176.6	-103.6	0	0	0	111.8	M97 I100 L104 V109 L112 L134 V135 L152	M97-F131 WeakPolarHBondContact O-CE1 3.42Å; M97-F131 HydrophobicContact SD-CE1 4.48Å; M97-F131 HydrophobicContact SD-CZ 4.48Å; I100-F131 HydrophobicContact CB-CE1 3.91Å; I100-F131 HydrophobicContact CB-CZ 4.23Å; I100-F131 HydrophobicContact CG2-CD1 4.27Å; I100-F131 HydrophobicContact CG2-CE1 3.51Å; I100-F131 HydrophobicContact CG2-CE2 4.09Å; I100-F131 HydrophobicContact CG2-CZ 3.4Å; I100-F131 VanDerWaalsContact CG2-CZ 3.4Å; L104-F131 HydrophobicContact CD1-CB 4.15Å; L104-F131 HydrophobicContact CD1-CD1 4.18Å; L104-F131 HydrophobicContact CD1-CD2 3.33Å; L104-F131 HydrophobicContact CD1-CE1 4.48Å; L104-F131 HydrophobicContact CD1-CE2 3.7Å; L104-F131 HydrophobicContact CD1-CG 3.6Å; L104-F131 HydrophobicContact CD1-CZ 4.27Å; V109-F131 HydrophobicContact CG2-CB 4.02Å; L112-F131 HydrophobicContact CD1-CD2 4Å; L112-F131 HydrophobicContact CD1-CE2 3.99Å; F131-L134 HydrophobicContact CD2-CD2 4.39Å; F131-L134 WeakPolarHBondContact O-CB 3.3Å; F131-L134 PolarHBondContact O-N 3.16Å; F131-V135 HydrophobicContact CD1-CG2 4.1Å; F131-V135 HydrophobicContact CE1-CG2 3.53Å; F131-V135 HydrophobicContact CE2-CG2 4.1Å; F131-V135 HydrophobicContact CZ-CG2 3.52Å; F131-V135 WeakPolarHBondContact O-CG2 3.23Å; F131-V135 PolarHBondContact O-N 2.95Å; F131-L152 HydrophobicContact CE2-CD1 3.99Å; F131-L152 HydrophobicContact CZ-CD1 4.15Å; F131-L152 HydrophobicContact CZ-CD2 4.17Å
132	L	92.6	Very high	77.5	Confident	22 Å²	22	69.1 Å²	69.1	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-41.1	179.4	-58.3	-176.5	0	0	0	110.7	M20 F23 S130 L134 V135 V136	M20-L132 HydrophobicContact CB-CD1 4.25Å; M20-L132 HydrophobicContact CG-CD1 4.18Å; F23-L132 HydrophobicContact CB-CD1 3.98Å; F23-L132 HydrophobicContact CD1-CD1 4.23Å; F23-L132 HydrophobicContact CD1-CD2 3.9Å; F23-L132 HydrophobicContact CD2-CB 3.89Å; F23-L132 HydrophobicContact CD2-CD2 4.34Å; F23-L132 HydrophobicContact CE1-CD2 3.9Å; F23-L132 HydrophobicContact CE2-CB 4.3Å; F23-L132 HydrophobicContact CE2-CD2 4.32Å; F23-L132 HydrophobicContact CG-CB 4.12Å; F23-L132 HydrophobicContact CG-CD1 4.03Å; F23-L132 HydrophobicContact CG-CD2 4.13Å; F23-L132 HydrophobicContact CG-CG 4.32Å; F23-L132 HydrophobicContact CZ-CD2 4.11Å; S130-L132 PolarHBondContact O-N 2.93Å; S130-L132 PolarHBondContact OG-N 3.41Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.18Å; L132-V135 PolarHBondContact O-N 2.55Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 2.9Å
133	D	89.5	Confident	79.1	Confident	57 Å²	57	59.1 Å²	59.1	31%	0.305	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-39.9	172.1	-63.1	-48.5	0	0	0	112	K129 S130 V136 E137	K129-D133 HydrophobicContact CB-CB 3.96Å; K129-D133 HydrophobicContact CD-CB 4.42Å; K129-D133 HydrophobicContact CG-CB 4.21Å; S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact N-OD2 3.26Å; S130-D133 PolarHBondContact O-N 3.12Å; S130-D133 PolarHBondContact OG-N 3.31Å; S130-D133 PolarHBondContact OG-OD2 2.99Å; D133-V136 WeakPolarHBondContact O-CB 3.29Å; D133-V136 PolarHBondContact O-N 3.26Å; D133-E137 WeakPolarHBondContact O-CG 3.44Å; D133-E137 PolarHBondContact O-N 3.27Å
134	L	89.7	Confident	80.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-47.1	174.5	176.9	62.4	0	0	0	110.7	L112 I113 M116 M120 S130 F131 L132 V136 E137 L138	L112-L134 HydrophobicContact CB-CD2 3.99Å; I113-L134 HydrophobicContact CG1-CD1 4.32Å; I113-L134 HydrophobicContact CG1-CD2 4.04Å; M116-L134 HydrophobicContact SD-CD1 3.91Å; M116-L134 HydrophobicContact SD-CD2 3.74Å; M116-L134 HydrophobicContact SD-CG 4.03Å; M120-L134 HydrophobicContact CE-CD1 3.4Å; M120-L134 VanDerWaalsContact CE-CD1 3.4Å; M120-L134 HydrophobicContact SD-CD1 3.8Å; S130-L134 PolarHBondContact O-N 3.43Å; F131-L134 HydrophobicContact CD2-CD2 4.39Å; F131-L134 WeakPolarHBondContact O-CB 3.3Å; F131-L134 PolarHBondContact O-N 3.16Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.18Å; L134-V136 VanDerWaalsContact C-N 3.33Å; L134-V136 PolarHBondContact O-N 3.41Å; L134-E137 PolarHBondContact O-N 3.32Å; L134-L138 HydrophobicContact CD1-CD1 4.28Å; L134-L138 HydrophobicContact CD1-CG 4.25Å; L134-L138 HydrophobicContact CG-CD1 4.05Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 VanDerWaalsContact O-CG 3.23Å; L134-L138 WeakPolarHBondContact O-CG 3.25Å; L134-L138 PolarHBondContact O-N 2.92Å
135	V	91.7	Very high	82.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-44.5	176.2	173.3	0	0	0	0	111.1	F23 Y93 M97 F131 L132 E137 L138 E139	F23-V135 HydrophobicContact CE2-CB 4.26Å; F23-V135 HydrophobicContact CE2-CG1 4.04Å; F23-V135 HydrophobicContact CZ-CB 4.45Å; F23-V135 HydrophobicContact CZ-CG1 3.98Å; Y93-V135 WeakPolarHBondContact OH-CG1 3.44Å; M97-V135 HydrophobicContact CB-CG1 4.45Å; M97-V135 HydrophobicContact CG-CG1 4.01Å; M97-V135 HydrophobicContact CG-CG2 4.46Å; M97-V135 HydrophobicContact SD-CG1 4.13Å; M97-V135 HydrophobicContact SD-CG2 3.89Å; F131-V135 HydrophobicContact CD1-CG2 4.1Å; F131-V135 HydrophobicContact CE1-CG2 3.53Å; F131-V135 HydrophobicContact CE2-CG2 4.1Å; F131-V135 HydrophobicContact CZ-CG2 3.52Å; F131-V135 WeakPolarHBondContact O-CG2 3.23Å; F131-V135 PolarHBondContact O-N 2.95Å; L132-V135 PolarHBondContact O-N 2.55Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.48Å; V135-L138 PolarHBondContact O-N 3.48Å; V135-E139 HydrophobicContact CG1-CG 4.32Å; V135-E139 WeakPolarHBondContact CG1-OE1 3.39Å; V135-E139 WeakPolarHBondContact O-CB 3.35Å; V135-E139 VanDerWaalsContact O-CG 3.31Å; V135-E139 WeakPolarHBondContact O-CG 3.5Å; V135-E139 PolarHBondContact O-N 2.89Å
136	V	89.2	Confident	84.2	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-54.2	-45.6	174.8	161.2	0	0	0	0	111.8	F23 R26 L132 D133 L134 E139 K140	F23-V136 HydrophobicContact CD2-CG2 3.97Å; F23-V136 HydrophobicContact CE2-CG2 4.1Å; R26-V136 VanDerWaalsContact NH1-CB 3.33Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 2.9Å; D133-V136 WeakPolarHBondContact O-CB 3.29Å; D133-V136 PolarHBondContact O-N 3.26Å; L134-V136 VanDerWaalsContact C-N 3.33Å; L134-V136 PolarHBondContact O-N 3.41Å; V136-E139 PolarHBondContact O-N 2.93Å; V136-K140 HydrophobicContact CG1-CD 4.48Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.2Å; V136-K140 VanDerWaalsContact O-N 3.12Å
137	E	86.8	Confident	85.6	Confident	35 Å²	35	55.3 Å²	55.3	16%	0.164	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-39.1	-180	-67.4	-62.2	115.1	0	0	111.8	M120 K129 D133 L134 V135 E139 K140 L141	M120-E137 HydrophobicContact SD-CB 4.06Å; K129-E137 IonicContact NZ-OE2 2.82Å; D133-E137 WeakPolarHBondContact O-CG 3.44Å; D133-E137 PolarHBondContact O-N 3.27Å; L134-E137 PolarHBondContact O-N 3.32Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.48Å; E137-E139 VanDerWaalsContact C-N 3.32Å; E137-E139 PolarHBondContact O-N 3.49Å; E137-K140 WeakPolarHBondContact O-CB 3.49Å; E137-K140 PolarHBondContact O-N 2.84Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 3.47Å; E137-L141 WeakPolarHBondContact O-CG 3.46Å; E137-L141 PolarHBondContact O-N 3.01Å; E137-L141 VanDerWaalsContact O-N 3.1Å
138	L	89.2	Confident	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-36.7	175.3	-66.2	170.9	0	0	0	112.2	M116 M120 L134 V135 L141 N142 L143 V144	M116-L138 HydrophobicContact CE-CD1 3.9Å; M116-L138 HydrophobicContact SD-CD1 3.5Å; M116-L138 WeakPolarHBondContact SD-CD1 3.33Å; M116-L138 HydrophobicContact SD-CD2 4Å; M116-L138 HydrophobicContact SD-CG 4.26Å; M120-L138 HydrophobicContact CG-CD2 3.98Å; M120-L138 HydrophobicContact SD-CD2 3.75Å; M120-L138 HydrophobicContact SD-CG 4.23Å; L134-L138 HydrophobicContact CD1-CD1 4.28Å; L134-L138 HydrophobicContact CD1-CG 4.25Å; L134-L138 HydrophobicContact CG-CD1 4.05Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 VanDerWaalsContact O-CG 3.23Å; L134-L138 WeakPolarHBondContact O-CG 3.25Å; L134-L138 PolarHBondContact O-N 2.92Å; V135-L138 PolarHBondContact O-N 3.48Å; L138-L141 CarbonylContact O-C 3.53Å; L138-L141 PolarHBondContact O-N 3.22Å; L138-N142 PolarHBondContact O-N 3.36Å; L138-N142 VanDerWaalsContact O-N 3.11Å; L138-L143 HydrophobicContact CB-CB 4.32Å; L138-L143 HydrophobicContact CD2-CB 4.14Å; L138-L143 HydrophobicContact CD2-CD1 3.79Å; L138-L143 PolarHBondContact O-N 2.95Å; L138-V144 HydrophobicContact CB-CB 4.04Å; L138-V144 HydrophobicContact CB-CG2 3.75Å; L138-V144 HydrophobicContact CD1-CG2 3.72Å; L138-V144 HydrophobicContact CG-CG2 4.31Å
139	E	89.9	Confident	88.6	Confident	30 Å²	30	40.7 Å²	40.7	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-46.3	173.1	-77.2	172.7	-179.1	0	0	111	R26 Y93 R94 V135 V136 E137 L141 N142	R26-E139 IonicContact NH1-OE2 3.01Å; Y93-E139 WeakPolarHBondContact CE1-OE1 3.41Å; Y93-E139 VanDerWaalsContact CZ-OE1 3.3Å; Y93-E139 PolarHBondContact OH-OE1 2.67Å; R94-E139 IonicContact CZ-OE1 3.15Å; R94-E139 IonicContact CZ-OE2 2.55Å; R94-E139 VanDerWaalsContact NH1-CD 3.27Å; R94-E139 IonicContact NH1-OE1 2.93Å; R94-E139 PolarHBondContact NH1-OE1 2.72Å; R94-E139 IonicContact NH1-OE2 2.82Å; R94-E139 PolarHBondContact NH1-OE2 2.68Å; R94-E139 IonicContact NH2-OE1 3.62Å; R94-E139 IonicContact NH2-OE2 2.72Å; R94-E139 PolarHBondContact NH2-OE2 3.29Å; R94-E139 VanDerWaalsContact NH2-OE2 3.11Å; V135-E139 HydrophobicContact CG1-CG 4.32Å; V135-E139 WeakPolarHBondContact CG1-OE1 3.39Å; V135-E139 WeakPolarHBondContact O-CB 3.35Å; V135-E139 VanDerWaalsContact O-CG 3.31Å; V135-E139 WeakPolarHBondContact O-CG 3.5Å; V135-E139 PolarHBondContact O-N 2.89Å; V136-E139 PolarHBondContact O-N 2.93Å; E137-E139 VanDerWaalsContact C-N 3.32Å; E137-E139 PolarHBondContact O-N 3.49Å; E139-L141 PolarHBondContact O-N 3.21Å; E139-N142 PolarHBondContact O-N 3.31Å
140	K	86.8	Confident	89.4	Confident	123 Å²	123	43 Å²	43	54%	0.535	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-32.3	175.7	-70.7	171.5	-174	171.9	0	112.2	V136 E137 N142	V136-K140 HydrophobicContact CG1-CD 4.48Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.2Å; V136-K140 VanDerWaalsContact O-N 3.12Å; E137-K140 WeakPolarHBondContact O-CB 3.49Å; E137-K140 PolarHBondContact O-N 2.84Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 3.47Å; K140-N142 VanDerWaalsContact C-N 3.33Å
141	L	85.3	Confident	89.6	Confident	56 Å²	56	42.5 Å²	42.5	29%	0.293	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1	176.8	-63.3	173.3	0	0	0	113.6	M120 E137 L138 E139 L143	M120-L141 HydrophobicContact CB-CD1 3.91Å; M120-L141 HydrophobicContact CG-CD1 3.67Å; M120-L141 HydrophobicContact SD-CD1 4.26Å; E137-L141 WeakPolarHBondContact O-CG 3.46Å; E137-L141 PolarHBondContact O-N 3.01Å; E137-L141 VanDerWaalsContact O-N 3.1Å; L138-L141 CarbonylContact O-C 3.53Å; L138-L141 PolarHBondContact O-N 3.22Å; E139-L141 PolarHBondContact O-N 3.21Å; L141-L143 HydrophobicContact CB-CD1 3.87Å; L141-L143 HydrophobicContact CB-CG 3.86Å; L141-L143 HydrophobicContact CD1-CD1 4.06Å; L141-L143 PolarHBondContact O-N 3.07Å
142	N	85.4	Confident	89.6	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	33.5	-173.9	-57.5	-71.1	0	0	0	113.4	L138 E139 K140 Q148	L138-N142 PolarHBondContact O-N 3.36Å; L138-N142 VanDerWaalsContact O-N 3.11Å; E139-N142 PolarHBondContact O-N 3.31Å; K140-N142 VanDerWaalsContact C-N 3.33Å; N142-Q148 PolarHBondContact O-NE2 3.28Å
143	L	87.5	Confident	89.6	Confident	37 Å²	37	42.3 Å²	42.3	19%	0.194	22%	0.222	C	C	.	.	S	Bend	trans	-91.5	-25.9	177.6	-67.6	176.1	0	0	0	112.1	L138 L141 Q148 L151	L138-L143 HydrophobicContact CB-CB 4.32Å; L138-L143 HydrophobicContact CD2-CB 4.14Å; L138-L143 HydrophobicContact CD2-CD1 3.79Å; L138-L143 PolarHBondContact O-N 2.95Å; L141-L143 HydrophobicContact CB-CD1 3.87Å; L141-L143 HydrophobicContact CB-CG 3.86Å; L141-L143 HydrophobicContact CD1-CD1 4.06Å; L141-L143 PolarHBondContact O-N 3.07Å; L143-Q148 PolarHBondContact O-NE2 3.39Å; L143-Q148 VanDerWaalsContact O-NE2 3.12Å; L143-L151 HydrophobicContact CB-CD2 3.85Å; L143-L151 HydrophobicContact CD1-CD2 4.21Å; L143-L151 HydrophobicContact CD2-CD2 4.3Å; L143-L151 HydrophobicContact CG-CD2 4.35Å
144	V	91.2	Very high	89.8	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.232	C	C	.	.			trans	-132.2	135	178.3	-179.8	0	0	0	0	109.2	Y93 L138 Q148 L149 L152	Y93-V144 HydrophobicContact CE2-CG1 4.23Å; Y93-V144 WeakPolarHBondContact OH-CG1 3.48Å; L138-V144 HydrophobicContact CB-CB 4.04Å; L138-V144 HydrophobicContact CB-CG2 3.75Å; L138-V144 HydrophobicContact CD1-CG2 3.72Å; L138-V144 HydrophobicContact CG-CG2 4.31Å; V144-Q148 WeakPolarHBondContact CA-O 3.46Å; V144-L149 HydrophobicContact CG1-CD2 3.72Å; V144-L152 HydrophobicContact CG2-CB 4.34Å
145	A	90.3	Very high	89.9	Confident	26 Å²	26	45.3 Å²	45.3	22%	0.215	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-154.8	168.9	175.9	0	0	0	0	0	110	D147 Q148 L149	A145-D147 PolarHBondContact O-N 3.11Å; A145-D147 VanDerWaalsContact O-N 3.1Å; A145-Q148 HydrophobicContact CB-CB 4.04Å; A145-Q148 PolarHBondContact N-O 3.05Å; A145-Q148 CarbonylContact O-C 3.51Å; A145-Q148 VanDerWaalsContact O-C 3.32Å; A145-Q148 PolarHBondContact O-N 3.39Å; A145-Q148 VanDerWaalsContact O-O 3.11Å; A145-L149 VanDerWaalsContact O-CD2 3.32Å; A145-L149 WeakPolarHBondContact O-CD2 3.47Å
146	P	88.4	Confident	90	Very high	63 Å²	63	45.3 Å²	45.3	41%	0.409	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.9	178.3	-27.5	35.2	0	0	0	114.8	Y93 Y171	Y93-P146 HydrophobicContact CD1-CG 3.92Å; Y93-P146 HydrophobicContact CD2-CB 4.31Å; Y93-P146 HydrophobicContact CD2-CG 4.22Å; Y93-P146 HydrophobicContact CE1-CG 4.48Å; Y93-P146 HydrophobicContact CG-CB 4.13Å; Y93-P146 HydrophobicContact CG-CG 3.78Å; P146-Y171 VanDerWaalsContact O-CE1 3.32Å; P146-Y171 WeakPolarHBondContact O-CE1 3.19Å
147	D	87.4	Confident	90.2	Very high	131 Å²	131	50.1 Å²	50.1	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.3	177.3	60.5	-30.1	0	0	0	113.4	A145	A145-D147 PolarHBondContact O-N 3.11Å; A145-D147 VanDerWaalsContact O-N 3.1Å
148	Q	90.7	Very high	90.5	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-129.9	89.2	-176.2	-170.7	-177.2	-41.3	0	0	110.9	N142 L143 V144 A145	N142-Q148 PolarHBondContact O-NE2 3.28Å; L143-Q148 PolarHBondContact O-NE2 3.39Å; L143-Q148 VanDerWaalsContact O-NE2 3.12Å; V144-Q148 WeakPolarHBondContact CA-O 3.46Å; A145-Q148 HydrophobicContact CB-CB 4.04Å; A145-Q148 PolarHBondContact N-O 3.05Å; A145-Q148 CarbonylContact O-C 3.51Å; A145-Q148 VanDerWaalsContact O-C 3.32Å; A145-Q148 PolarHBondContact O-N 3.39Å; A145-Q148 VanDerWaalsContact O-O 3.11Å
149	L	92.6	Very high	90.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.271	C	S	.	.			trans	-120.1	3.8	-178.6	-61.7	178.9	0	0	0	113.8	Y93 L96 M97 V144 A145 L151 L152 E153 I168 Y171 K172	Y93-L149 HydrophobicContact CD2-CD2 4.3Å; Y93-L149 HydrophobicContact CE2-CD2 3.82Å; L96-L149 HydrophobicContact CD2-CD1 4Å; M97-L149 HydrophobicContact CE-CD1 4.48Å; M97-L149 HydrophobicContact CE-CD2 3.77Å; V144-L149 HydrophobicContact CG1-CD2 3.72Å; A145-L149 VanDerWaalsContact O-CD2 3.32Å; A145-L149 WeakPolarHBondContact O-CD2 3.47Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.5Å; L149-L152 PolarHBondContact O-N 3.4Å; L149-E153 WeakPolarHBondContact O-CB 3.38Å; L149-E153 PolarHBondContact O-N 3.42Å; L149-I168 HydrophobicContact CB-CG2 3.64Å; L149-I168 HydrophobicContact CD1-CG2 3.84Å; L149-I168 HydrophobicContact CG-CG2 4.38Å; L149-Y171 HydrophobicContact CD1-CD1 3.55Å; L149-Y171 HydrophobicContact CD1-CE1 3.78Å; L149-K172 HydrophobicContact CB-CD 4.36Å; L149-K172 HydrophobicContact CD1-CG 4.43Å
150	D	92.7	Very high	90.8	Very high	93 Å²	93	59.7 Å²	59.7	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-37.1	-172.2	-60.1	-66.9	0	0	0	113.4	E153 K154 K172	D150-E153 PolarHBondContact O-N 2.9Å; D150-K154 WeakPolarHBondContact O-CB 3.38Å; D150-K154 PolarHBondContact O-N 3.31Å; D150-K172 IonicContact OD1-NZ 3.76Å; D150-K172 PolarHBondContact OD1-NZ 2.91Å
151	L	91.8	Very high	91	Very high	28 Å²	28	55.8 Å²	55.8	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-49.1	176.7	-179.1	65.9	0	0	0	110.7	Y119 L143 L149 E153 K154 C155	Y119-L151 HydrophobicContact CD1-CD1 4.33Å; Y119-L151 HydrophobicContact CD2-CD1 4.3Å; Y119-L151 HydrophobicContact CE1-CD1 3.99Å; Y119-L151 HydrophobicContact CE2-CD1 3.93Å; Y119-L151 HydrophobicContact CG-CD1 4.48Å; Y119-L151 HydrophobicContact CG-CD2 4.44Å; L143-L151 HydrophobicContact CB-CD2 3.85Å; L143-L151 HydrophobicContact CD1-CD2 4.21Å; L143-L151 HydrophobicContact CD2-CD2 4.3Å; L143-L151 HydrophobicContact CG-CD2 4.35Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.5Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.22Å; L151-K154 WeakPolarHBondContact O-CB 3.4Å; L151-K154 PolarHBondContact O-N 3.39Å; L151-C155 PolarHBondContact O-N 3.48Å; L151-C155 PolarHBondContact O-SG 2.93Å; L151-C155 VanDerWaalsContact O-SG 3.32Å
152	L	92.5	Very high	91.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-40.6	179.4	-176	62.4	0	0	0	111.1	M97 M116 F131 V144 L149 K154 C155 L156 I168	M97-L152 HydrophobicContact CE-CD2 3.92Å; M97-L152 HydrophobicContact SD-CD2 3.75Å; M116-L152 HydrophobicContact CE-CD1 3.72Å; F131-L152 HydrophobicContact CE2-CD1 3.99Å; F131-L152 HydrophobicContact CZ-CD1 4.15Å; F131-L152 HydrophobicContact CZ-CD2 4.17Å; V144-L152 HydrophobicContact CG2-CB 4.34Å; L149-L152 PolarHBondContact O-N 3.4Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.04Å; L152-C155 PolarHBondContact O-N 3.17Å; L152-L156 HydrophobicContact CD1-CD1 4.46Å; L152-L156 HydrophobicContact CD1-CG 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 WeakPolarHBondContact O-CB 3.17Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.11Å; L152-I168 HydrophobicContact CB-CD1 4.17Å; L152-I168 HydrophobicContact CD2-CD1 3.72Å; L152-I168 HydrophobicContact CG-CD1 3.71Å
153	E	93.5	Very high	91.5	Very high	24 Å²	24	57 Å²	57	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-43.7	174	-167.4	-174.7	153.1	0	0	111.5	L149 D150 L151 K157 K165 I168 Q169 K172	L149-E153 WeakPolarHBondContact O-CB 3.38Å; L149-E153 PolarHBondContact O-N 3.42Å; D150-E153 PolarHBondContact O-N 2.9Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.22Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 PolarHBondContact O-N 2.96Å; E153-K157 VanDerWaalsContact O-N 3.11Å; E153-K165 HydrophobicContact CG-CD 4.25Å; E153-K165 HydrophobicContact CG-CG 3.43Å; E153-K165 VanDerWaalsContact CG-CG 3.43Å; E153-K165 WeakPolarHBondContact OE1-CE 3.49Å; E153-K165 IonicContact OE1-NZ 3.97Å; E153-I168 HydrophobicContact CB-CG2 4.2Å; E153-I168 HydrophobicContact CG-CG2 4.42Å; E153-Q169 HydrophobicContact CG-CG 4.49Å; E153-Q169 VanDerWaalsContact OE1-CG 3.29Å; E153-Q169 WeakPolarHBondContact OE1-CG 3.34Å; E153-Q169 PolarHBondContact OE1-NE2 3.24Å; E153-K172 IonicContact OE2-NZ 2.88Å; E153-K172 PolarHBondContact OE2-NZ 2.92Å
154	K	93.5	Very high	91.8	Very high	117 Å²	117	55.2 Å²	55.2	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-45.1	176.4	-174.9	-176.6	178.6	-172.6	0	111.7	D150 L151 L152 K157 N158	D150-K154 WeakPolarHBondContact O-CB 3.38Å; D150-K154 PolarHBondContact O-N 3.31Å; L151-K154 WeakPolarHBondContact O-CB 3.4Å; L151-K154 PolarHBondContact O-N 3.39Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.04Å; K154-K157 WeakPolarHBondContact O-CB 3.11Å; K154-K157 PolarHBondContact O-N 3.25Å; K154-N158 VanDerWaalsContact O-CG 3.27Å; K154-N158 PolarHBondContact O-N 3.44Å; K154-N158 PolarHBondContact O-OD1 2.96Å
155	C	92.1	Very high	91.8	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-44.3	179.6	-69.6	0	0	0	0	112.1	L112 L115 M116 L151 L152 K157 N158 I159	L112-C155 HydrophobicContact CD2-CB 3.69Å; L115-C155 HydrophobicContact CD1-CB 4.47Å; M116-C155 HydrophobicContact CE-CB 3.61Å; M116-C155 VanDerWaalsContact CE-SG 3.57Å; L151-C155 PolarHBondContact O-N 3.48Å; L151-C155 PolarHBondContact O-SG 2.93Å; L151-C155 VanDerWaalsContact O-SG 3.32Å; L152-C155 PolarHBondContact O-N 3.17Å; C155-K157 VanDerWaalsContact C-N 3.29Å; C155-K157 PolarHBondContact O-N 3.38Å; C155-N158 WeakPolarHBondContact O-CB 3.44Å; C155-N158 PolarHBondContact O-N 3.41Å; C155-I159 PolarHBondContact O-N 3.36Å; C155-I159 VanDerWaalsContact O-N 3.07Å
156	L	93.3	Very high	91.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-37.9	175.6	-72.4	170	0	0	0	112	L104 L112 L152 N158 I159 H160 R161 L164 K165 I168	L104-L156 HydrophobicContact CD2-CD2 4.19Å; L112-L156 HydrophobicContact CD1-CD2 4.08Å; L112-L156 HydrophobicContact CD2-CD2 4.19Å; L152-L156 HydrophobicContact CD1-CD1 4.46Å; L152-L156 HydrophobicContact CD1-CG 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 WeakPolarHBondContact O-CB 3.17Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.11Å; L156-N158 VanDerWaalsContact C-N 3.32Å; L156-N158 PolarHBondContact O-N 2.92Å; L156-I159 HydrophobicContact CD2-CD1 4.34Å; L156-I159 WeakPolarHBondContact O-CG1 3.44Å; L156-I159 PolarHBondContact O-N 3.42Å; L156-H160 PolarHBondContact O-N 3.25Å; L156-R161 HydrophobicContact CD2-CB 4.25Å; L156-R161 PolarHBondContact O-N 2.91Å; L156-L164 HydrophobicContact CD1-CB 3.93Å; L156-L164 HydrophobicContact CD2-CB 4.05Å; L156-L164 HydrophobicContact CD2-CD1 4.01Å; L156-L164 HydrophobicContact CG-CB 4.49Å; L156-K165 HydrophobicContact CB-CB 4.34Å; L156-I168 HydrophobicContact CD1-CD1 3.52Å; L156-I168 HydrophobicContact CD1-CG1 4.38Å
157	K	93.9	Very high	92.1	Very high	115 Å²	115	56.5 Å²	56.5	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-41.4	172.7	-171.1	-171.8	176	-171.2	0	111.8	E153 K154 C155 H160 I162 K165	E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 PolarHBondContact O-N 2.96Å; E153-K157 VanDerWaalsContact O-N 3.11Å; K154-K157 WeakPolarHBondContact O-CB 3.11Å; K154-K157 PolarHBondContact O-N 3.25Å; C155-K157 VanDerWaalsContact C-N 3.29Å; C155-K157 PolarHBondContact O-N 3.38Å; K157-H160 PolarHBondContact O-N 2.58Å; K157-H160 VanDerWaalsContact O-N 3.11Å; K157-I162 HydrophobicContact CB-CD1 4.49Å; K157-I162 HydrophobicContact CG-CD1 3.95Å; K157-K165 HydrophobicContact CB-CD 4.12Å; K157-K165 HydrophobicContact CG-CD 4.37Å
158	N	92.2	Very high	92.4	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-69.7	-32.1	-177.3	-72.2	-7.1	0	0	0	113	L115 K154 C155 L156 H160	L115-N158 HydrophobicContact CD1-CB 3.62Å; K154-N158 VanDerWaalsContact O-CG 3.27Å; K154-N158 PolarHBondContact O-N 3.44Å; K154-N158 PolarHBondContact O-OD1 2.96Å; C155-N158 WeakPolarHBondContact O-CB 3.44Å; C155-N158 PolarHBondContact O-N 3.41Å; L156-N158 VanDerWaalsContact C-N 3.32Å; L156-N158 PolarHBondContact O-N 2.92Å; N158-H160 PolarHBondContact O-N 2.76Å
159	I	93	Very high	92.4	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.118	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	14	171.9	66.8	153.4	0	0	0	112.6	L104 D108 L112 L115 C155 L156 R161	L104-I159 HydrophobicContact CD2-CD1 4.12Å; D108-I159 HydrophobicContact CB-CD1 3.9Å; L112-I159 HydrophobicContact CD1-CD1 4.15Å; L112-I159 HydrophobicContact CD2-CD1 3.89Å; L112-I159 HydrophobicContact CD2-CG1 4.08Å; L112-I159 HydrophobicContact CD2-CG2 4.29Å; L112-I159 HydrophobicContact CG-CD1 3.73Å; L112-I159 HydrophobicContact CG-CG1 4.43Å; L115-I159 HydrophobicContact CD1-CG2 3.55Å; C155-I159 PolarHBondContact O-N 3.36Å; C155-I159 VanDerWaalsContact O-N 3.07Å; L156-I159 HydrophobicContact CD2-CD1 4.34Å; L156-I159 WeakPolarHBondContact O-CG1 3.44Å; L156-I159 PolarHBondContact O-N 3.42Å; I159-R161 HydrophobicContact CD1-CB 4.12Å; I159-R161 HydrophobicContact CD1-CG 3.57Å; I159-R161 HydrophobicContact CG1-CB 4.13Å; I159-R161 HydrophobicContact CG1-CG 3.95Å; I159-R161 PolarHBondContact O-N 3.24Å; I159-R161 VanDerWaalsContact O-N 3.17Å
160	H	91.8	Very high	92.3	Very high	162 Å²	162	55.1 Å²	55.1	75%	0.75	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	17.6	179.4	-58.4	-78	0	0	0	116.1	L156 K157 N158 I162	L156-H160 PolarHBondContact O-N 3.25Å; K157-H160 PolarHBondContact O-N 2.58Å; K157-H160 VanDerWaalsContact O-N 3.11Å; N158-H160 PolarHBondContact O-N 2.76Å; H160-I162 VanDerWaalsContact C-N 3.27Å; H160-I162 PolarHBondContact O-N 3.24Å
161	R	92.2	Very high	92.3	Very high	40 Å²	40	51.3 Å²	51.3	15%	0.151	24%	0.243	C	C	.	.			trans	-84.8	65.4	171.7	-67.5	-59.3	-56.6	-95.6	1.2	111.9	D103 L104 D108 L156 I159 D163 L164 K165	D103-R161 VanDerWaalsContact O-CZ 3.23Å; D103-R161 PolarHBondContact O-NH1 3.07Å; D103-R161 PolarHBondContact O-NH2 3.15Å; L104-R161 HydrophobicContact CD2-CG 4.33Å; D108-R161 IonicContact OD2-CZ 3.59Å; D108-R161 IonicContact OD2-NH1 2.84Å; D108-R161 PolarHBondContact OD2-NH1 3.21Å; L156-R161 HydrophobicContact CD2-CB 4.25Å; L156-R161 PolarHBondContact O-N 2.91Å; I159-R161 HydrophobicContact CD1-CB 4.12Å; I159-R161 HydrophobicContact CD1-CG 3.57Å; I159-R161 HydrophobicContact CG1-CB 4.13Å; I159-R161 HydrophobicContact CG1-CG 3.95Å; I159-R161 PolarHBondContact O-N 3.24Å; I159-R161 VanDerWaalsContact O-N 3.17Å; R161-D163 VanDerWaalsContact C-OD1 3.25Å; R161-D163 WeakPolarHBondContact CA-OD1 3.39Å; R161-D163 IonicContact CZ-OD1 3.78Å; R161-D163 IonicContact CZ-OD2 2.84Å; R161-D163 IonicContact NE-OD1 3.99Å; R161-D163 PolarHBondContact NE-OD1 3.27Å; R161-D163 IonicContact NE-OD2 2.81Å; R161-D163 PolarHBondContact NE-OD2 3.24Å; R161-D163 IonicContact NH2-OD1 3.85Å; R161-D163 IonicContact NH2-OD2 3.71Å; R161-D163 PolarHBondContact NH2-OD2 3.5Å; R161-D163 PolarHBondContact O-N 3.34Å; R161-L164 HydrophobicContact CB-CB 4.3Å; R161-L164 HydrophobicContact CB-CD1 4.06Å; R161-L164 HydrophobicContact CB-CG 4.24Å; R161-L164 HydrophobicContact CG-CD1 4.32Å; R161-L164 VanDerWaalsContact CZ-CD1 3.49Å; R161-L164 PolarHBondContact O-N 2.9Å; R161-K165 PolarHBondContact O-N 2.93Å
162	I	91.9	Very high	92.2	Very high	85 Å²	85	52.2 Å²	52.2	44%	0.436	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-29	-177.8	-51.1	-56.6	0	0	0	111.8	K157 H160 T166	K157-I162 HydrophobicContact CB-CD1 4.49Å; K157-I162 HydrophobicContact CG-CD1 3.95Å; H160-I162 VanDerWaalsContact C-N 3.27Å; H160-I162 PolarHBondContact O-N 3.24Å; I162-T166 WeakPolarHBondContact O-CB 3.42Å; I162-T166 PolarHBondContact O-N 3.15Å; I162-T166 PolarHBondContact O-OG1 3.34Å
163	D	88.6	Confident	91.9	Very high	79 Å²	79	58.4 Å²	58.4	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-58.1	-49.2	172.3	61.1	-48.6	0	0	0	111.7	R161 T166 K167	R161-D163 VanDerWaalsContact C-OD1 3.25Å; R161-D163 WeakPolarHBondContact CA-OD1 3.39Å; R161-D163 IonicContact CZ-OD1 3.78Å; R161-D163 IonicContact CZ-OD2 2.84Å; R161-D163 IonicContact NE-OD1 3.99Å; R161-D163 PolarHBondContact NE-OD1 3.27Å; R161-D163 IonicContact NE-OD2 2.81Å; R161-D163 PolarHBondContact NE-OD2 3.24Å; R161-D163 IonicContact NH2-OD1 3.85Å; R161-D163 IonicContact NH2-OD2 3.71Å; R161-D163 PolarHBondContact NH2-OD2 3.5Å; R161-D163 PolarHBondContact O-N 3.34Å; D163-T166 WeakPolarHBondContact O-CB 3.35Å; D163-T166 PolarHBondContact O-N 3.01Å; D163-K167 PolarHBondContact O-N 3.27Å
164	L	93.4	Very high	91.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72.5	-39.5	-179.8	-58.5	-177.3	0	0	0	112.1	I100 D103 L104 L156 R161 T166 K167 I168	I100-L164 HydrophobicContact CG2-CD1 4.26Å; D103-L164 HydrophobicContact CB-CD2 3.67Å; L104-L164 HydrophobicContact CD1-CD1 4.43Å; L104-L164 HydrophobicContact CD2-CD1 3.44Å; L104-L164 VanDerWaalsContact CD2-CD1 3.44Å; L104-L164 HydrophobicContact CG-CD1 3.63Å; L156-L164 HydrophobicContact CD1-CB 3.93Å; L156-L164 HydrophobicContact CD2-CB 4.05Å; L156-L164 HydrophobicContact CD2-CD1 4.01Å; L156-L164 HydrophobicContact CG-CB 4.49Å; R161-L164 HydrophobicContact CB-CB 4.3Å; R161-L164 HydrophobicContact CB-CD1 4.06Å; R161-L164 HydrophobicContact CB-CG 4.24Å; R161-L164 HydrophobicContact CG-CD1 4.32Å; R161-L164 VanDerWaalsContact CZ-CD1 3.49Å; R161-L164 PolarHBondContact O-N 2.9Å; L164-T166 PolarHBondContact O-N 3.02Å; L164-K167 HydrophobicContact CD2-CD 4.3Å; L164-K167 WeakPolarHBondContact O-CB 3.29Å; L164-K167 PolarHBondContact O-N 2.99Å; L164-I168 PolarHBondContact O-N 3.19Å; L164-I168 VanDerWaalsContact O-N 3.17Å
165	K	93.1	Very high	90.5	Very high	39 Å²	39	56.3 Å²	56.3	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-52.9	-43.8	169.6	-172.4	-151.2	177.5	-152.8	0	111.1	E153 L156 K157 R161 K167 I168 Q169	E153-K165 HydrophobicContact CG-CD 4.25Å; E153-K165 HydrophobicContact CG-CG 3.43Å; E153-K165 VanDerWaalsContact CG-CG 3.43Å; E153-K165 WeakPolarHBondContact OE1-CE 3.49Å; E153-K165 IonicContact OE1-NZ 3.97Å; L156-K165 HydrophobicContact CB-CB 4.34Å; K157-K165 HydrophobicContact CB-CD 4.12Å; K157-K165 HydrophobicContact CG-CD 4.37Å; R161-K165 PolarHBondContact O-N 2.93Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K165-K167 PolarHBondContact O-N 3.46Å; K165-I168 WeakPolarHBondContact O-CB 3.15Å; K165-I168 PolarHBondContact O-N 2.98Å; K165-Q169 VanDerWaalsContact NZ-NE2 3.14Å; K165-Q169 WeakPolarHBondContact O-CG 3.49Å; K165-Q169 PolarHBondContact O-N 3.48Å
166	T	91.6	Very high	89.2	Confident	49 Å²	49	63.8 Å²	63.8	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-33.2	179.8	-55.8	0	0	0	0	111.9	I162 D163 L164 Q169 K170	I162-T166 WeakPolarHBondContact O-CB 3.42Å; I162-T166 PolarHBondContact O-N 3.15Å; I162-T166 PolarHBondContact O-OG1 3.34Å; D163-T166 WeakPolarHBondContact O-CB 3.35Å; D163-T166 PolarHBondContact O-N 3.01Å; L164-T166 PolarHBondContact O-N 3.02Å; T166-Q169 PolarHBondContact O-N 2.97Å; T166-K170 WeakPolarHBondContact O-CG 3.42Å; T166-K170 PolarHBondContact O-N 3.13Å
167	K	92.8	Very high	87.3	Confident	31 Å²	31	65.4 Å²	65.4	14%	0.135	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-45.7	171.9	-67.3	-170.8	-178.3	-177.4	0	111.5	L96 D103 D163 L164 K165 Q169 K170 Y171	L96-K167 HydrophobicContact CD1-CB 4.03Å; D103-K167 WeakPolarHBondContact OD2-CE 3.44Å; D103-K167 IonicContact OD2-NZ 3.09Å; D103-K167 PolarHBondContact OD2-NZ 2.86Å; D163-K167 PolarHBondContact O-N 3.27Å; L164-K167 HydrophobicContact CD2-CD 4.3Å; L164-K167 WeakPolarHBondContact O-CB 3.29Å; L164-K167 PolarHBondContact O-N 2.99Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K165-K167 PolarHBondContact O-N 3.46Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 3.01Å; K167-K170 PolarHBondContact O-N 3.31Å; K167-Y171 PolarHBondContact O-N 3.49Å
168	I	92.7	Very high	84.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-44.8	175.5	-67.3	-176.5	0	0	0	111.3	L96 I100 L149 L152 E153 L156 L164 K165 K170 Y171 K172	L96-I168 HydrophobicContact CD2-CG1 4.4Å; I100-I168 HydrophobicContact CD1-CD1 3.99Å; I100-I168 HydrophobicContact CD1-CG1 3.66Å; L149-I168 HydrophobicContact CB-CG2 3.64Å; L149-I168 HydrophobicContact CD1-CG2 3.84Å; L149-I168 HydrophobicContact CG-CG2 4.38Å; L152-I168 HydrophobicContact CB-CD1 4.17Å; L152-I168 HydrophobicContact CD2-CD1 3.72Å; L152-I168 HydrophobicContact CG-CD1 3.71Å; E153-I168 HydrophobicContact CB-CG2 4.2Å; E153-I168 HydrophobicContact CG-CG2 4.42Å; L156-I168 HydrophobicContact CD1-CD1 3.52Å; L156-I168 HydrophobicContact CD1-CG1 4.38Å; L164-I168 PolarHBondContact O-N 3.19Å; L164-I168 VanDerWaalsContact O-N 3.17Å; K165-I168 WeakPolarHBondContact O-CB 3.15Å; K165-I168 PolarHBondContact O-N 2.98Å; I168-K170 PolarHBondContact O-N 2.96Å; I168-Y171 WeakPolarHBondContact O-CB 3.44Å; I168-Y171 PolarHBondContact O-N 2.78Å; I168-K172 HydrophobicContact CG2-CD 3.93Å; I168-K172 HydrophobicContact CG2-CG 4.41Å; I168-K172 WeakPolarHBondContact O-CG 3.18Å; I168-K172 PolarHBondContact O-N 2.67Å
169	Q	92.1	Very high	82.4	Confident	62 Å²	62	65 Å²	65	29%	0.29	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-41.9	179.1	-70.1	-174.8	-21.9	0	0	112.4	E153 K165 T166 K167 Y171 K172 Q173	E153-Q169 HydrophobicContact CG-CG 4.49Å; E153-Q169 VanDerWaalsContact OE1-CG 3.29Å; E153-Q169 WeakPolarHBondContact OE1-CG 3.34Å; E153-Q169 PolarHBondContact OE1-NE2 3.24Å; K165-Q169 VanDerWaalsContact NZ-NE2 3.14Å; K165-Q169 WeakPolarHBondContact O-CG 3.49Å; K165-Q169 PolarHBondContact O-N 3.48Å; T166-Q169 PolarHBondContact O-N 2.97Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 3.01Å; Q169-Y171 VanDerWaalsContact C-N 3.33Å; Q169-K172 PolarHBondContact O-N 3.35Å; Q169-Q173 VanDerWaalsContact O-CG 3.32Å; Q169-Q173 WeakPolarHBondContact O-CG 3.41Å; Q169-Q173 PolarHBondContact O-N 3.37Å
170	K	90.5	Very high	79.8	Confident	126 Å²	126	68.3 Å²	68.3	55%	0.548	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-44.1	175.1	-74.4	172.7	179.5	172.5	0	111.4	T166 K167 I168 Q173 S174	T166-K170 WeakPolarHBondContact O-CG 3.42Å; T166-K170 PolarHBondContact O-N 3.13Å; K167-K170 PolarHBondContact O-N 3.31Å; I168-K170 PolarHBondContact O-N 2.96Å; K170-Q173 PolarHBondContact O-N 3.23Å; K170-S174 PolarHBondContact O-N 3.31Å; K170-S174 VanDerWaalsContact O-N 3.09Å; K170-S174 PolarHBondContact O-OG 2.95Å
171	Y	91.5	Very high	77.9	Confident	13 Å²	13	64.2 Å²	64.2	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-59	-47.7	174.8	173.8	-89.2	0	0	0	112.2	D92 L96 P146 L149 K167 I168 Q169 Q173 S174 V175 Y182	D92-Y171 HydrophobicContact CB-CE2 3.89Å; L96-Y171 HydrophobicContact CB-CD2 4.46Å; L96-Y171 HydrophobicContact CD2-CD1 3.86Å; L96-Y171 HydrophobicContact CD2-CD2 3.95Å; L96-Y171 HydrophobicContact CD2-CG 3.55Å; P146-Y171 VanDerWaalsContact O-CE1 3.32Å; P146-Y171 WeakPolarHBondContact O-CE1 3.19Å; L149-Y171 HydrophobicContact CD1-CD1 3.55Å; L149-Y171 HydrophobicContact CD1-CE1 3.78Å; K167-Y171 PolarHBondContact O-N 3.49Å; I168-Y171 WeakPolarHBondContact O-CB 3.44Å; I168-Y171 PolarHBondContact O-N 2.78Å; Q169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-Q173 VanDerWaalsContact C-N 3.31Å; Y171-Q173 PolarHBondContact O-N 2.8Å; Y171-S174 VanDerWaalsContact C-OG 3.32Å; Y171-S174 VanDerWaalsContact CA-OG 3.32Å; Y171-S174 WeakPolarHBondContact CA-OG 3.28Å; Y171-S174 PolarHBondContact O-N 2.85Å; Y171-S174 PolarHBondContact O-OG 3.34Å; Y171-V175 HydrophobicContact CD1-CG2 4.27Å; Y171-V175 HydrophobicContact CE1-CG2 3.77Å; Y171-V175 HydrophobicContact CE2-CG2 4.1Å; Y171-V175 WeakPolarHBondContact O-CG2 3.35Å; Y171-V175 PolarHBondContact O-N 3.13Å; Y171-V175 VanDerWaalsContact O-N 3.08Å; Y171-Y182 VanDerWaalsContact CA-CD2 3.48Å; Y171-Y182 AromaticContact CD2-CD1 3.76Å; Y171-Y182 HydrophobicContact CD2-CD1 3.76Å; Y171-Y182 AromaticContact CD2-CD2 3.91Å; Y171-Y182 HydrophobicContact CD2-CD2 3.91Å; Y171-Y182 HydrophobicContact CD2-CE1 4.29Å; Y171-Y182 HydrophobicContact CD2-CE2 4.41Å; Y171-Y182 AromaticContact CD2-CG 3.55Å; Y171-Y182 HydrophobicContact CD2-CG 3.55Å; Y171-Y182 HydrophobicContact CE2-CD1 4.46Å; Y171-Y182 HydrophobicContact CE2-CG 4.42Å; Y171-Y182 HydrophobicContact CG-CD2 4.28Å; Y171-Y182 HydrophobicContact CG-CG 4.35Å
172	K	89.6	Confident	75.8	Confident	47 Å²	47	63 Å²	63	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-41.5	177.4	-72	170.5	67.9	177.3	0	112.2	L149 D150 E153 I168 Q169 V175 Q176	L149-K172 HydrophobicContact CB-CD 4.36Å; L149-K172 HydrophobicContact CD1-CG 4.43Å; D150-K172 IonicContact OD1-NZ 3.76Å; D150-K172 PolarHBondContact OD1-NZ 2.91Å; E153-K172 IonicContact OE2-NZ 2.88Å; E153-K172 PolarHBondContact OE2-NZ 2.92Å; I168-K172 HydrophobicContact CG2-CD 3.93Å; I168-K172 HydrophobicContact CG2-CG 4.41Å; I168-K172 WeakPolarHBondContact O-CG 3.18Å; I168-K172 PolarHBondContact O-N 2.67Å; Q169-K172 PolarHBondContact O-N 3.35Å; K172-V175 PolarHBondContact O-N 3.42Å; K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 3.15Å; K172-Q176 VanDerWaalsContact O-N 3.13Å
173	Q	86.8	Confident	74.2	Confident	130 Å²	130	64.9 Å²	64.9	61%	0.607	37%	0.369	S	S	*	.	H	α-helix	trans	-64	-41.3	177.5	-71.2	169.9	14.4	0	0	112.3	Q169 K170 Y171 V175 Q176 G177	Q169-Q173 VanDerWaalsContact O-CG 3.32Å; Q169-Q173 WeakPolarHBondContact O-CG 3.41Å; Q169-Q173 PolarHBondContact O-N 3.37Å; K170-Q173 PolarHBondContact O-N 3.23Å; Y171-Q173 VanDerWaalsContact C-N 3.31Å; Y171-Q173 PolarHBondContact O-N 2.8Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 2.9Å; Q173-Q176 PolarHBondContact O-N 3.42Å; Q173-G177 PolarHBondContact O-N 2.9Å; Q173-G177 VanDerWaalsContact O-N 3.09Å
174	S	80.8	Confident	73	Confident	17 Å²	17	61.1 Å²	61.1	12%	0.119	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-33.3	176.1	36.5	0	0	0	0	113.7	K170 Y171 G177 T180 Y182	K170-S174 PolarHBondContact O-N 3.31Å; K170-S174 VanDerWaalsContact O-N 3.09Å; K170-S174 PolarHBondContact O-OG 2.95Å; Y171-S174 VanDerWaalsContact C-OG 3.32Å; Y171-S174 VanDerWaalsContact CA-OG 3.32Å; Y171-S174 WeakPolarHBondContact CA-OG 3.28Å; Y171-S174 PolarHBondContact O-N 2.85Å; Y171-S174 PolarHBondContact O-OG 3.34Å; S174-G177 VanDerWaalsContact O-O 3.09Å; S174-T180 WeakPolarHBondContact CA-O 3.36Å; S174-T180 WeakPolarHBondContact CB-O 3.33Å; S174-T180 VanDerWaalsContact O-O 3.13Å; S174-Y182 WeakPolarHBondContact OG-CA 3.49Å; S174-Y182 VanDerWaalsContact OG-CB 3.28Å; S174-Y182 WeakPolarHBondContact OG-CB 3.47Å
175	V	76.6	Confident	71.2	Confident	80 Å²	80	64.9 Å²	64.9	49%	0.485	37%	0.372	S	S	.	.	H	α-helix	trans	-74.6	-35.1	178.7	176.2	0	0	0	0	111.6	Y171 K172 Q173	Y171-V175 HydrophobicContact CD1-CG2 4.27Å; Y171-V175 HydrophobicContact CE1-CG2 3.77Å; Y171-V175 HydrophobicContact CE2-CG2 4.1Å; Y171-V175 WeakPolarHBondContact O-CG2 3.35Å; Y171-V175 PolarHBondContact O-N 3.13Å; Y171-V175 VanDerWaalsContact O-N 3.08Å; K172-V175 PolarHBondContact O-N 3.42Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 2.9Å
176	Q	64.1	Low	69.2	Low	161 Å²	161	63.8 Å²	63.8	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-79.6	-29.5	-179.7	-69.9	176.9	3.5	0	0	113.6	K172 Q173	K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 3.15Å; K172-Q176 VanDerWaalsContact O-N 3.13Å; Q173-Q176 PolarHBondContact O-N 3.42Å
177	G	53.9	Low	67.5	Low	34 Å²	34	61.8 Å²	61.8	35%	0.351	36%	0.355	S	S	.	.	S	Bend	trans	-92.2	95.2	171.1	0	0	0	0	0	110.1	Q173 S174 G179 T180	Q173-G177 PolarHBondContact O-N 2.9Å; Q173-G177 VanDerWaalsContact O-N 3.09Å; S174-G177 VanDerWaalsContact O-O 3.09Å; G177-G179 PolarHBondContact O-N 3.19Å; G177-T180 PolarHBondContact O-N 2.81Å
178	A	42.4	Very low	65.7	Low	114 Å²	114	62 Å²	62	94%	0.942	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	24.2	-177.4	0	0	0	0	0	116.5
179	G	41	Very low	63.5	Low	73 Å²	73	64.2 Å²	64.2	75%	0.753	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-2.3	176.2	0	0	0	0	0	115.8	G177	G177-G179 PolarHBondContact O-N 3.19Å
180	T	38.1	Very low	61.5	Low	92 Å²	92	61.8 Å²	61.8	56%	0.564	37%	0.37	S	S	*	.			trans	-137	98.4	176.3	41.5	0	0	0	0	110.9	S174 G177	S174-T180 WeakPolarHBondContact CA-O 3.36Å; S174-T180 WeakPolarHBondContact CB-O 3.33Å; S174-T180 VanDerWaalsContact O-O 3.13Å; G177-T180 PolarHBondContact O-N 2.81Å
181	S	51.7	Low	59.6	Low	76 Å²	76	59.7 Å²	59.7	53%	0.531	36%	0.362	S	S	.	.			trans	-52	138.8	167.7	158.5	0	0	0	0	110	D92 R183	D92-S181 PolarHBondContact OD2-OG 3.11Å; S181-R183 PolarHBondContact O-N 2.92Å
182	Y	49.4	Very low	57.4	Low	15 Å²	15	67 Å²	67	6%	0.059	39%	0.394	C	S	.	.			trans	-57.2	104.6	175	172.5	-107.7	0	0	0	108.7	D92 L96 E99 Y171 S174 N184	D92-Y182 HydrophobicContact CB-CD1 4.2Å; L96-Y182 HydrophobicContact CB-CE1 4.29Å; L96-Y182 HydrophobicContact CD1-CE1 4.48Å; L96-Y182 WeakPolarHBondContact CD1-OH 3.33Å; E99-Y182 PolarHBondContact OE2-OH 3.32Å; Y171-Y182 VanDerWaalsContact CA-CD2 3.48Å; Y171-Y182 AromaticContact CD2-CD1 3.76Å; Y171-Y182 HydrophobicContact CD2-CD1 3.76Å; Y171-Y182 AromaticContact CD2-CD2 3.91Å; Y171-Y182 HydrophobicContact CD2-CD2 3.91Å; Y171-Y182 HydrophobicContact CD2-CE1 4.29Å; Y171-Y182 HydrophobicContact CD2-CE2 4.41Å; Y171-Y182 AromaticContact CD2-CG 3.55Å; Y171-Y182 HydrophobicContact CD2-CG 3.55Å; Y171-Y182 HydrophobicContact CE2-CD1 4.46Å; Y171-Y182 HydrophobicContact CE2-CG 4.42Å; Y171-Y182 HydrophobicContact CG-CD2 4.28Å; Y171-Y182 HydrophobicContact CG-CG 4.35Å; S174-Y182 WeakPolarHBondContact OG-CA 3.49Å; S174-Y182 VanDerWaalsContact OG-CB 3.28Å; S174-Y182 WeakPolarHBondContact OG-CB 3.47Å; Y182-N184 HydrophobicContact CD1-CB 4.48Å; Y182-N184 HydrophobicContact CE1-CB 3.95Å; Y182-N184 PolarHBondContact O-N 2.8Å
183	R	57.6	Low	55.2	Low	124 Å²	124	68.6 Å²	68.6	47%	0.468	41%	0.411	S	S	.	.			trans	-81.7	105.2	171.9	-77.5	-172.2	-175.5	124	11.6	108.7	S181 Q191	S181-R183 PolarHBondContact O-N 2.92Å; R183-Q191 VanDerWaalsContact NH1-CD 3.26Å
184	N	62.6	Low	53	Low	0 Å²	0	68.7 Å²	68.7	0%	0	42%	0.415	C	S	.	.			trans	-53.4	159.8	174.2	66.2	50.8	0	0	0	112.2	V95 E99 Y182 L186 Q187 A188	V95-N184 HydrophobicContact CG1-CB 3.95Å; E99-N184 WeakPolarHBondContact OE1-CB 3.22Å; Y182-N184 HydrophobicContact CD1-CB 4.48Å; Y182-N184 HydrophobicContact CE1-CB 3.95Å; Y182-N184 PolarHBondContact O-N 2.8Å; N184-L186 PolarHBondContact O-N 2.87Å; N184-Q187 PolarHBondContact O-N 2.83Å; N184-Q187 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q187 PolarHBondContact OD1-N 3.18Å; N184-A188 PolarHBondContact O-N 3.39Å
185	V	56.7	Low	50.8	Low	79 Å²	79	76.4 Å²	76.4	48%	0.479	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-38.5	-169.1	177.3	0	0	0	0	111.4	E99 Q187 A188 A189	E99-V185 PolarHBondContact OE1-N 2.84Å; E99-V185 VanDerWaalsContact OE1-N 3.11Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 3.48Å; V185-A188 PolarHBondContact O-N 3.01Å; V185-A189 PolarHBondContact O-N 3.39Å; V185-A189 VanDerWaalsContact O-N 3.16Å
186	L	50.8	Low	48.5	Very low	16 Å²	16	79.6 Å²	79.6	8%	0.084	46%	0.461	C	S	.	.	H	α-helix	trans	-61	-38.7	175.3	-83	158.2	0	0	0	112	Y60 F65 N184	Y60-L186 HydrophobicContact CE1-CB 3.77Å; Y60-L186 HydrophobicContact CE1-CD1 4.25Å; Y60-L186 HydrophobicContact CE1-CD2 4.34Å; Y60-L186 HydrophobicContact CE1-CG 4.34Å; Y60-L186 WeakPolarHBondContact OH-CB 3.28Å; Y60-L186 PolarHBondContact OH-O 3.43Å; F65-L186 HydrophobicContact CZ-CD2 4.49Å; N184-L186 PolarHBondContact O-N 2.87Å
187	Q	56.3	Low	47.1	Very low	8 Å²	8	76.8 Å²	76.8	4%	0.037	46%	0.457	C	S	.	.	H	α-helix	trans	-81.9	-32	178	-157.7	173.5	28	0	0	113	L83 N184 V185 A189 I190	L83-Q187 PolarHBondContact O-NE2 3.14Å; N184-Q187 PolarHBondContact O-N 2.83Å; N184-Q187 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q187 PolarHBondContact OD1-N 3.18Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 3.48Å; Q187-A189 VanDerWaalsContact C-N 3.27Å; Q187-A189 PolarHBondContact O-N 3.04Å; Q187-I190 HydrophobicContact CB-CD1 4.16Å; Q187-I190 HydrophobicContact CG-CD1 3.66Å; Q187-I190 WeakPolarHBondContact O-CB 3.46Å; Q187-I190 WeakPolarHBondContact O-CD1 3.18Å; Q187-I190 WeakPolarHBondContact O-CG1 3.48Å; Q187-I190 PolarHBondContact O-N 3.16Å
188	A	54	Low	45.8	Very low	36 Å²	36	80.4 Å²	80.4	30%	0.298	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-29.6	175.3	0	0	0	0	0	112.6	N184 V185 I190 K192	N184-A188 PolarHBondContact O-N 3.39Å; V185-A188 PolarHBondContact O-N 3.01Å; A188-I190 VanDerWaalsContact C-N 3.27Å; A188-I190 PolarHBondContact O-N 2.98Å; A188-K192 PolarHBondContact O-N 2.91Å
189	A	47.5	Very low	45	Very low	46 Å²	46	82.9 Å²	82.9	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-33.3	174	0	0	0	0	0	112.6	V185 Q187 K192 S193	V185-A189 PolarHBondContact O-N 3.39Å; V185-A189 VanDerWaalsContact O-N 3.16Å; Q187-A189 VanDerWaalsContact C-N 3.27Å; Q187-A189 PolarHBondContact O-N 3.04Å; A189-K192 PolarHBondContact O-N 3.25Å; A189-S193 PolarHBondContact O-N 2.87Å
190	I	50	Low	44.3	Very low	11 Å²	11	86.2 Å²	86.2	6%	0.056	47%	0.474	C	S	.	.	H	α-helix	trans	-65.4	-48.1	-179.5	-48.1	159.9	0	0	0	110.9	E80 L84 Q187 A188 K192 S193 L194	E80-I190 HydrophobicContact CB-CD1 3.4Å; E80-I190 VanDerWaalsContact CB-CD1 3.4Å; E80-I190 HydrophobicContact CB-CG1 3.92Å; E80-I190 HydrophobicContact CG-CD1 3.46Å; E80-I190 VanDerWaalsContact CG-CD1 3.46Å; E80-I190 HydrophobicContact CG-CG1 3.71Å; E80-I190 WeakPolarHBondContact OE2-CG1 3.29Å; L84-I190 HydrophobicContact CD1-CG2 4.49Å; Q187-I190 HydrophobicContact CB-CD1 4.16Å; Q187-I190 HydrophobicContact CG-CD1 3.66Å; Q187-I190 WeakPolarHBondContact O-CB 3.46Å; Q187-I190 WeakPolarHBondContact O-CD1 3.18Å; Q187-I190 WeakPolarHBondContact O-CG1 3.48Å; Q187-I190 PolarHBondContact O-N 3.16Å; A188-I190 VanDerWaalsContact C-N 3.27Å; A188-I190 PolarHBondContact O-N 2.98Å; I190-K192 VanDerWaalsContact C-N 3.27Å; I190-K192 PolarHBondContact O-N 2.93Å; I190-S193 PolarHBondContact O-N 2.79Å; I190-S193 VanDerWaalsContact O-N 3.08Å; I190-S193 PolarHBondContact O-OG 2.63Å; I190-L194 HydrophobicContact CG2-CD1 3.92Å; I190-L194 PolarHBondContact O-N 3.21Å
191	Q	50.3	Low	43.7	Very low	82 Å²	82	90.3 Å²	90.3	38%	0.383	49%	0.485	S	S	.	.	H	α-helix	trans	-68.8	-27.1	-178.9	-73.5	-169	-29.8	0	0	113	R183	R183-Q191 VanDerWaalsContact NH1-CD 3.26Å
192	K	45.5	Very low	42.5	Very low	167 Å²	167	98.3 Å²	98.3	73%	0.726	50%	0.503	S	S	*	.	H	α-helix	trans	-72.1	-33.6	170.5	-74	-177.5	177.3	-178.7	0	111.9	A188 A189 I190 K195	A188-K192 PolarHBondContact O-N 2.91Å; A189-K192 PolarHBondContact O-N 3.25Å; I190-K192 VanDerWaalsContact C-N 3.27Å; I190-K192 PolarHBondContact O-N 2.93Å; K192-K195 PolarHBondContact O-N 3.11Å
193	S	42.3	Very low	41.4	Very low	80 Å²	80	103.2 Å²	103.2	56%	0.559	53%	0.53	S	S	*	.	H	α-helix	trans	-78.4	-23.6	176.2	82.1	0	0	0	0	114.4	A189 I190 K195	A189-S193 PolarHBondContact O-N 2.87Å; I190-S193 PolarHBondContact O-N 2.79Å; I190-S193 VanDerWaalsContact O-N 3.08Å; I190-S193 PolarHBondContact O-OG 2.63Å; S193-K195 VanDerWaalsContact C-N 3.25Å
194	L	42.1	Very low	40	Very low	132 Å²	132	104.8 Å²	104.8	69%	0.691	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-2.5	173.2	-76.2	162.7	0	0	0	113	I190	I190-L194 HydrophobicContact CG2-CD1 3.92Å; I190-L194 PolarHBondContact O-N 3.21Å
195	K	33	Very low	38.5	Very low	179 Å²	179	112.3 Å²	112.3	78%	0.778	58%	0.582	S	S	*	*			trans	-96.1	81.7	165.6	-80.5	-175.2	174.1	-176.3	0	108.6	K192 S193	K192-K195 PolarHBondContact O-N 3.11Å; S193-K195 VanDerWaalsContact C-N 3.25Å
196	D	29	Very low	37.1	Very low	147 Å²	147	112.1 Å²	112.1	79%	0.786	60%	0.596	S	S	*	*			trans	-104.6	149.8	160.3	-126	2.5	0	0	0	110.1
197	P	34.6	Very low	36	Very low	102 Å²	102	123.1 Å²	123.1	66%	0.662	64%	0.637	S	S	*	*			trans	-79.2	164.5	-165.4	36.5	-35.8	0	0	0	110.2
198	S	25.8	Very low	34.6	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	67%	0.672	S	S	*	*			trans	116.2	87.5	170.4	-48.3	0	0	0	0	113.1
199	N	26	Very low	33.6	Very low	167 Å²	167	136.3 Å²	136.3	89%	0.893	70%	0.701	S	S	*	*				-145.9	73.7	126.1	-110.8	-6.8	0	0	0	108.8
200	N	27.2	Very low	32.5	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	72%	0.724	S	S	*	*			trans	-116.2	119.3	144.8	-84.1	-17.2	0	0	0	105.6
201	F	25	Very low	31.5	Very low	179 Å²	179	152 Å²	152	79%	0.785	77%	0.766	S	S	*	*				169.5	112.1	126.3	-89.9	-65.1	0	0	0	111.3	L203	F201-L203 HydrophobicContact CD1-CD1 3.83Å; F201-L203 HydrophobicContact CE1-CD1 4.15Å
202	R	27.5	Very low	30.2	Very low	244 Å²	244	159 Å²	159	92%	0.921	79%	0.789	S	S	*	*			trans	178	101.8	130.6	-94.4	174.8	-169.9	-162.6	3.7	106
203	L	26	Very low	29.4	Very low	118 Å²	118	157.6 Å²	157.6	62%	0.618	79%	0.789	S	S	*	*				44.8	118.7	72.7	-72.4	156.4	0	0	0	110.4	F201	F201-L203 HydrophobicContact CD1-CD1 3.83Å; F201-L203 HydrophobicContact CE1-CD1 4.15Å
204	H	28.5	Very low	28.5	Very low	157 Å²	157	161.7 Å²	161.7	73%	0.727	80%	0.796	S	S	*	*			cis	-167.7	167.9	38.4	-113.7	-67.1	0	0	0	111.8
205	N	30.5	Very low	27.9	Very low	158 Å²	158	162.2 Å²	162.2	85%	0.845	80%	0.796	S	S	*	*			trans	87.4	120.2	162.1	-61.7	-11.6	0	0	0	116.8
206	G	26.7	Very low	27.5	Very low	74 Å²	74	161.6 Å²	161.6	76%	0.763	80%	0.795	S	S	*	*			cis	161	153.1	3.2	0	0	0	0	0	109.7
207	R	28.7	Very low	27.5	Very low	248 Å²	248	163.5 Å²	163.5	94%	0.936	80%	0.804	S	S	*	*			trans	101.4	98.2	160	-142.6	171.9	-162	174	4	117.9
208	S	26.8	Very low	27.1	Very low	112 Å²	112	162 Å²	162	78%	0.783	81%	0.808	S	S	*	*			trans	-59.8	150.7	156.9	-46.4	0	0	0	0	112.9
209	K	32.6	Very low	27.3	Very low	208 Å²	208	162.1 Å²	162.1	90%	0.904	82%	0.816	S	S	*	*				-164.3	124.3	129.6	-108.4	178.6	-177.5	-171.7	0	111.2
210	E	24.4	Very low	27.2	Very low	184 Å²	184	163 Å²	163	86%	0.86	81%	0.814	S	S	*	*			trans	-64.4	146.3	162.1	-62.9	167.5	125.3	0	0	110.7
211	Q	28.7	Very low	27.3	Very low	203 Å²	203	166 Å²	166	95%	0.949	82%	0.824	S	S	*	*			trans	-156.4	144.2	137.9	-116.3	169.3	-1.9	0	0	112.1
212	R	23.5	Very low	27.4	Very low	229 Å²	229	165.7 Å²	165.7	86%	0.864	83%	0.825	S	S	*	*			trans	-88.2	176.7	-163.7	-64.7	173.2	163.8	172.6	-5.3	113.9
213	L	27.7	Very low	27.4	Very low	137 Å²	137	160 Å²	160	72%	0.717	82%	0.82	S	S	*	*			trans	95	107.6	154	-100.5	81.3	0	0	0	116
214	K	25.1	Very low	27.6	Very low	166 Å²	166	160.5 Å²	160.5	72%	0.722	83%	0.827	S	S	*	*				76	129.9	95.4	-80.4	-171.2	178.5	-170.7	0	111
215	E	27.9	Very low	27.5	Very low	144 Å²	144	162.7 Å²	162.7	67%	0.673	83%	0.834	S	S	*	*			cis	-170.2	148.5	44.9	-130.3	154.8	-152.1	0	0	112.4
216	Q	25.6	Very low	27.4	Very low	165 Å²	165	164.5 Å²	164.5	77%	0.771	84%	0.835	S	S	*	*			trans	53.5	120.3	141.9	-73.9	171.4	2.4	0	0	125.7
217	L	28.6	Very low	27.5	Very low	187 Å²	187	165.8 Å²	165.8	98%	0.979	83%	0.832	S	S	*	*				168	128.7	125.9	-91.3	145.7	0	0	0	106
218	G	25.9	Very low	27.6	Very low	72 Å²	72	161.6 Å²	161.6	74%	0.742	83%	0.827	S	S	*	*			cis	164	154.2	7	0	0	0	0	0	106.2
219	A	30.4	Very low	27.8	Very low	111 Å²	111	164 Å²	164	92%	0.917	83%	0.825	S	S	*	*			trans	87.8	108.3	173.5	0	0	0	0	0	119.1
220	Q	23.8	Very low	27.6	Very low	186 Å²	186	163.6 Å²	163.6	87%	0.869	83%	0.827	S	S	*	*			trans	-72	151.7	166.3	-60.2	-176.6	-18	0	0	111.6
221	Q	28.7	Very low	28	Very low	203 Å²	203	158.9 Å²	158.9	95%	0.949	81%	0.814	S	S	*	*			trans	-161.5	134.2	137.1	-109.1	171.1	25.8	0	0	111.9
222	E	28	Very low	28	Very low	174 Å²	174	157.6 Å²	157.6	81%	0.813	81%	0.808	S	S	*	*			trans	-69.5	163.8	-176.5	-77.8	-176.4	140	0	0	115	V224	E222-V224 PolarHBondContact O-N 3Å
223	P	28.5	Very low	28.2	Very low	125 Å²	125	151.7 Å²	151.7	81%	0.812	81%	0.808	S	S	*	*			trans	-79.2	110.3	-177.7	32	-31.6	0	0	0	111.5	K225	P223-K225 PolarHBondContact O-N 2.78Å
224	V	29.2	Very low	28.3	Very low	127 Å²	127	154 Å²	154	77%	0.77	81%	0.813	S	S	*	*			trans	-71.6	116.1	176.2	175.7	0	0	0	0	110.9	E222 K226	E222-V224 PolarHBondContact O-N 3Å; V224-K226 PolarHBondContact O-N 3.27Å
225	K	26.9	Very low	28.4	Very low	203 Å²	203	153.3 Å²	153.3	88%	0.883	82%	0.817	S	S	*	*			trans	-55.2	112.4	158.2	-74	174.2	175.8	175.1	0	109.4	P223 S227	P223-K225 PolarHBondContact O-N 2.78Å; K225-S227 PolarHBondContact O-N 2.9Å
226	K	28.9	Very low	28.6	Very low	196 Å²	196	152.2 Å²	152.2	85%	0.852	82%	0.822	S	S	*	*			trans	-89.5	98.3	162.5	-75.8	-172	178.4	-178.6	0	109.2	V224	V224-K226 PolarHBondContact O-N 3.27Å
227	S	26.9	Very low	28.8	Very low	102 Å²	102	153 Å²	153	71%	0.713	83%	0.826	S	S	*	*			trans	-65	128.5	156.4	172.3	0	0	0	0	108	K225	K225-S227 PolarHBondContact O-N 2.9Å
228	I	32.1	Very low	29.2	Very low	160 Å²	160	149.2 Å²	149.2	82%	0.821	81%	0.814	S	S	*	*			trans	-87.6	106.3	168	-61.9	171.8	0	0	0	105.3
229	Q	30.3	Very low	30.1	Very low	161 Å²	161	152.7 Å²	152.7	75%	0.752	82%	0.815	S	S	*	*			trans	-80.2	128.4	166.3	-80.9	-179.7	-17	0	0	108.6	S231	Q229-S231 PolarHBondContact O-N 2.97Å; Q229-S231 VanDerWaalsContact O-N 3.08Å
230	E	28	Very low	31.1	Very low	201 Å²	201	153 Å²	153	94%	0.939	81%	0.807	S	S	*	*			trans	-68.3	95.6	166.7	-73.5	-180	149.3	0	0	108.7
231	S	33	Very low	33.2	Very low	85 Å²	85	150.6 Å²	150.6	59%	0.594	80%	0.796	S	S	*	*			trans	-97.5	111.4	167.5	-71	0	0	0	0	109.8	Q229	Q229-S231 PolarHBondContact O-N 2.97Å; Q229-S231 VanDerWaalsContact O-N 3.08Å
232	E	30	Very low	36	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	78%	0.778	S	S	*	*			trans	66.7	134.6	140.5	-64.2	-177.9	161.3	0	0	119.8	F234	E232-F234 WeakPolarHBondContact O-CD2 3.39Å; E232-F234 PolarHBondContact O-N 3.45Å
233	A	27.4	Very low	39.1	Very low	105 Å²	105	142.8 Å²	142.8	87%	0.868	76%	0.755	S	S	*	*			trans	-56.1	96.6	-178.8	0	0	0	0	0	112.5	L235	A233-L235 PolarHBondContact O-N 3.5Å; A233-L235 VanDerWaalsContact O-N 3.11Å
234	F	28.5	Very low	42.4	Very low	186 Å²	186	137.2 Å²	137.2	82%	0.816	72%	0.718	S	S	*	*			trans	-72.2	99.5	160.4	-78.5	-87.9	0	0	0	108.8	E232	E232-F234 WeakPolarHBondContact O-CD2 3.39Å; E232-F234 PolarHBondContact O-N 3.45Å
235	L	28.2	Very low	45.5	Very low	152 Å²	152	137.1 Å²	137.1	80%	0.796	71%	0.708	S	S	*	*			trans	-44.3	126	148.8	-80.4	155.5	0	0	0	107.5	A233 Q237	A233-L235 PolarHBondContact O-N 3.5Å; A233-L235 VanDerWaalsContact O-N 3.11Å; L235-Q237 PolarHBondContact O-N 3.04Å
236	P	32.4	Very low	48.9	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	67%	0.666	S	S	*	*			trans	-64.6	107.3	178.4	24.5	-29.4	0	0	0	107.6	S238	P236-S238 PolarHBondContact O-N 2.93Å
237	Q	29.8	Very low	52.1	Low	183 Å²	183	124 Å²	124	86%	0.855	65%	0.651	S	S	*	*			trans	-55.5	111.8	162.7	-77.3	-171.6	-17.1	0	0	106.2	L235 I239	L235-Q237 PolarHBondContact O-N 3.04Å; Q237-I239 PolarHBondContact O-N 3.26Å
238	S	36.4	Very low	55.4	Low	106 Å²	106	119.9 Å²	119.9	74%	0.741	62%	0.622	S	S	*	*			trans	-57.3	114.1	177.7	50.9	0	0	0	0	108.1	P236	P236-S238 PolarHBondContact O-N 2.93Å
239	I	44.9	Very low	58.5	Low	146 Å²	146	120.7 Å²	120.7	75%	0.749	62%	0.619	S	S	*	*			trans	-41.8	131.1	162.5	-36.3	171.2	0	0	0	106.2	Q237 E241	Q237-I239 PolarHBondContact O-N 3.26Å; I239-E241 PolarHBondContact O-N 3.48Å
240	P	52.4	Low	61.7	Low	116 Å²	116	114.3 Å²	114.3	75%	0.753	59%	0.592	S	S	*	*			trans	-52.5	106.3	178.6	-24.7	32.5	0	0	0	109	E242	P240-E242 PolarHBondContact O-N 2.65Å
241	E	67	Low	65	Low	136 Å²	136	104.8 Å²	104.8	64%	0.636	55%	0.547	S	S	*	.			trans	-65.1	104.1	-177.3	-83.1	-173.5	170.4	0	0	107.7	I239 R243 K474	I239-E241 PolarHBondContact O-N 3.48Å; E241-R243 PolarHBondContact O-N 2.74Å; E241-K474 WeakPolarHBondContact OE2-CD 3.18Å; E241-K474 IonicContact OE2-NZ 2.7Å; E241-K474 PolarHBondContact OE2-NZ 2.66Å
242	E	87.2	Confident	68.1	Low	124 Å²	124	100.7 Å²	100.7	58%	0.579	52%	0.519	S	S	*	.			trans	-59.3	129.3	173.6	-73.1	-161	-148.8	0	0	109.1	P240 K473 K474	P240-E242 PolarHBondContact O-N 2.65Å; E242-K473 HydrophobicContact CB-CB 4.32Å; E242-K473 HydrophobicContact CB-CD 4.18Å; E242-K473 HydrophobicContact CB-CG 3.89Å; E242-K473 CarbonylContact O-C 3.55Å; E242-K473 VanDerWaalsContact O-CA 3.28Å; E242-K473 WeakPolarHBondContact O-CA 3.32Å; E242-K473 VanDerWaalsContact O-CB 3.25Å; E242-K473 WeakPolarHBondContact O-CB 3.41Å; E242-K473 WeakPolarHBondContact OE2-CE 3.41Å; E242-K473 IonicContact OE2-NZ 2.7Å; E242-K473 PolarHBondContact OE2-NZ 3.47Å; E242-K474 PolarHBondContact O-N 3.05Å
243	R	93.8	Very high	71.4	Confident	89 Å²	89	92.5 Å²	92.5	34%	0.336	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-119.1	142.8	-179.1	-174	-175.5	170.7	140.8	5.2	109.7	E241 K474 I476 T480	E241-R243 PolarHBondContact O-N 2.74Å; R243-K474 WeakPolarHBondContact CA-O 3.14Å; R243-K474 HydrophobicContact CB-CB 4.45Å; R243-K474 HydrophobicContact CG-CB 4.42Å; R243-K474 WeakPolarHBondContact CG-O 3.46Å; R243-I476 VanDerWaalsContact CZ-CD1 3.41Å; R243-I476 VanDerWaalsContact NH1-CD1 3.29Å; R243-T480 VanDerWaalsContact CZ-CB 3.48Å; R243-T480 PolarHBondContact NE-OG1 2.8Å; R243-T480 VanDerWaalsContact NE-OG1 3.12Å; R243-T480 VanDerWaalsContact NH2-CB 3.35Å; R243-T480 PolarHBondContact NH2-OG1 3.16Å
244	Y	96.5	Very high	74.8	Confident	8 Å²	8	87.5 Å²	87.5	3%	0.031	44%	0.439	C	S	.	.			trans	-64	136.6	170.1	-72.3	-75.1	0	0	0	110.4	M246 P352 D400 L471 R472 K473 K474 L475	Y244-M246 PolarHBondContact O-N 3.1Å; Y244-P352 HydrophobicContact CD1-CG 4.22Å; Y244-P352 HydrophobicContact CD2-CB 4.45Å; Y244-P352 HydrophobicContact CG-CB 4.46Å; Y244-P352 HydrophobicContact CG-CG 4.13Å; Y244-D400 HydrophobicContact CE1-CB 4.3Å; Y244-D400 WeakPolarHBondContact CE1-OD1 3.24Å; Y244-D400 PolarHBondContact OH-OD1 2.99Å; Y244-L471 HydrophobicContact CE2-CB 4.28Å; Y244-L471 HydrophobicContact CE2-CD2 3.94Å; Y244-L471 WeakPolarHBondContact OH-CA 3.47Å; Y244-R472 PolarHBondContact OH-N 2.79Å; Y244-K473 HydrophobicContact CD1-CB 4.32Å; Y244-K473 HydrophobicContact CD1-CD 4.06Å; Y244-K473 HydrophobicContact CD1-CG 4.5Å; Y244-K473 HydrophobicContact CD2-CB 3.65Å; Y244-K473 HydrophobicContact CE1-CB 4.28Å; Y244-K473 HydrophobicContact CE1-CD 4.17Å; Y244-K473 HydrophobicContact CE1-CG 4.28Å; Y244-K473 HydrophobicContact CE2-CB 3.6Å; Y244-K473 HydrophobicContact CE2-CG 4.39Å; Y244-K473 WeakPolarHBondContact CE2-O 3.15Å; Y244-K473 HydrophobicContact CG-CB 4.02Å; Y244-K473 HydrophobicContact CG-CD 4.38Å; Y244-K474 PolarHBondContact N-O 3.17Å; Y244-L475 HydrophobicContact CD2-CB 3.9Å; Y244-L475 HydrophobicContact CD2-CD1 4.07Å; Y244-L475 HydrophobicContact CE2-CB 4.34Å; Y244-L475 HydrophobicContact CG-CD1 4.47Å
245	K	95.8	Very high	78.1	Confident	126 Å²	126	78.7 Å²	78.7	55%	0.548	40%	0.4	S	S	.	.			trans	-62.7	130.4	168.4	-178.8	-174.2	168.5	-122.2	0	108.1	K247 D306	K245-K247 HydrophobicContact CG-CB 4.48Å; K245-K247 HydrophobicContact CG-CG 4.36Å; K245-D306 WeakPolarHBondContact CE-OD1 3.3Å; K245-D306 IonicContact NZ-OD1 2.75Å; K245-D306 PolarHBondContact NZ-OD1 2.88Å; K245-D306 IonicContact NZ-OD2 3.53Å; K245-D306 WeakPolarHBondContact O-CB 3.32Å
246	M	96.7	Very high	81.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.363	C	S	.	.			trans	-142.3	69.3	-179.9	-65.5	-64.6	-65.4	0	0	108.4	Y244 L251 P352 L475 L477 Y479 T480	Y244-M246 PolarHBondContact O-N 3.1Å; M246-L251 HydrophobicContact CB-CD2 4.13Å; M246-L251 HydrophobicContact CE-CB 4.31Å; M246-L251 HydrophobicContact CE-CD1 3.98Å; M246-L251 HydrophobicContact CE-CD2 4.16Å; M246-L251 HydrophobicContact CE-CG 4.39Å; M246-P352 HydrophobicContact SD-CG 4.27Å; M246-L475 HydrophobicContact SD-CD1 4.22Å; M246-L477 HydrophobicContact CE-CD2 4.12Å; M246-Y479 VanDerWaalsContact O-CA 3.26Å; M246-Y479 WeakPolarHBondContact O-CA 3.35Å; M246-T480 PolarHBondContact O-N 3.35Å; M246-T480 VanDerWaalsContact O-N 3.11Å
247	K	96.6	Very high	84.4	Confident	124 Å²	124	65.7 Å²	65.7	54%	0.539	33%	0.325	S	S	.	.			trans	-126.5	-24.2	-171	-68	-173.9	176.5	-176.7	0	114.3	K245 D306 T480	K245-K247 HydrophobicContact CG-CB 4.48Å; K245-K247 HydrophobicContact CG-CG 4.36Å; K247-D306 WeakPolarHBondContact CA-OD2 3.45Å; K247-D306 PolarHBondContact N-OD2 2.87Å; K247-T480 WeakPolarHBondContact CE-O 3.45Å; K247-T480 WeakPolarHBondContact CE-OXT 3.22Å; K247-T480 WeakPolarHBondContact CG-O 2.89Å
248	S	96.8	Very high	87.6	Confident	15 Å²	15	57 Å²	57	11%	0.105	29%	0.285	C	S	.	.	S	Bend	trans	-57.5	151	-179.8	64.4	0	0	0	0	111.2	P250 L251 D304 D306 Y479	S248-P250 CarbonylContact C-O 3.19Å; S248-P250 VanDerWaalsContact CB-O 3.24Å; S248-P250 WeakPolarHBondContact CB-O 3.34Å; S248-P250 CarbonylContact O-C 3.07Å; S248-P250 VanDerWaalsContact O-O 3.06Å; S248-P250 PolarHBondContact OG-O 2.97Å; S248-L251 WeakPolarHBondContact O-CA 3.31Å; S248-L251 PolarHBondContact O-N 3.39Å; S248-L251 VanDerWaalsContact O-N 3.13Å; S248-L251 WeakPolarHBondContact OG-CA 3.22Å; S248-L251 PolarHBondContact OG-O 3.11Å; S248-D304 VanDerWaalsContact CB-O 3.3Å; S248-D304 WeakPolarHBondContact CB-O 3.46Å; S248-D306 PolarHBondContact N-OD2 3.44Å; S248-D306 PolarHBondContact OG-N 3.04Å; S248-Y479 VanDerWaalsContact O-CE1 3.27Å; S248-Y479 WeakPolarHBondContact O-CE1 3.4Å
249	K	96.7	Very high	90.3	Very high	176 Å²	176	52.1 Å²	52.1	77%	0.765	25%	0.25	S	S	*	.	S	Bend	trans	-124.9	104	176.7	-71.2	-175.9	178.2	-176.1	0	108.6	Y479	K249-Y479 HydrophobicContact CD-CE1 4.33Å; K249-Y479 HydrophobicContact CG-CE1 3.51Å
250	P	97.7	Very high	92.5	Very high	28 Å²	28	46.1 Å²	46.1	18%	0.182	22%	0.22	C	C	.	.	S	Bend	cis	-67	163.3	0.3	31.5	-39.3	0	0	0	113.7	S248 G252 G275 E277 Y305	S248-P250 CarbonylContact C-O 3.19Å; S248-P250 VanDerWaalsContact CB-O 3.24Å; S248-P250 WeakPolarHBondContact CB-O 3.34Å; S248-P250 CarbonylContact O-C 3.07Å; S248-P250 VanDerWaalsContact O-O 3.06Å; S248-P250 PolarHBondContact OG-O 2.97Å; P250-G252 PolarHBondContact O-N 3.5Å; P250-G275 CarbonylContact C-O 3.58Å; P250-G275 VanDerWaalsContact CA-O 3.26Å; P250-G275 WeakPolarHBondContact CA-O 3.34Å; P250-G275 VanDerWaalsContact CB-O 3.25Å; P250-G275 WeakPolarHBondContact CB-O 3.36Å; P250-E277 HydrophobicContact CB-CB 4.2Å; P250-E277 HydrophobicContact CG-CB 3.99Å; P250-Y305 HydrophobicContact CG-CD1 4.04Å; P250-Y305 HydrophobicContact CG-CE1 3.54Å; P250-Y305 HydrophobicContact CG-CE2 4.3Å
251	L	97.8	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-56.7	-34.8	171	-72.2	179.3	0	0	0	110.7	M246 S248 L274 G275 Y276 D306 S307 Y479	M246-L251 HydrophobicContact CB-CD2 4.13Å; M246-L251 HydrophobicContact CE-CB 4.31Å; M246-L251 HydrophobicContact CE-CD1 3.98Å; M246-L251 HydrophobicContact CE-CD2 4.16Å; M246-L251 HydrophobicContact CE-CG 4.39Å; S248-L251 WeakPolarHBondContact O-CA 3.31Å; S248-L251 PolarHBondContact O-N 3.39Å; S248-L251 VanDerWaalsContact O-N 3.13Å; S248-L251 WeakPolarHBondContact OG-CA 3.22Å; S248-L251 PolarHBondContact OG-O 3.11Å; L251-L274 VanDerWaalsContact CD1-O 3.22Å; L251-L274 WeakPolarHBondContact CD1-O 3.31Å; L251-G275 PolarHBondContact N-O 2.93Å; L251-Y276 HydrophobicContact CB-CD2 4.37Å; L251-Y276 HydrophobicContact CB-CE1 4.22Å; L251-Y276 HydrophobicContact CB-CE2 4.07Å; L251-Y276 HydrophobicContact CD1-CD2 4.46Å; L251-Y276 HydrophobicContact CD1-CE2 3.93Å; L251-D306 PolarHBondContact O-N 3.32Å; L251-S307 PolarHBondContact O-N 3.21Å; L251-S307 PolarHBondContact O-OG 3.48Å; L251-Y479 HydrophobicContact CD2-CD1 3.92Å; L251-Y479 HydrophobicContact CD2-CE1 3.79Å; L251-Y479 HydrophobicContact CG-CE1 4.16Å
252	G	98.2	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-158.8	162.8	0	0	0	0	0	111.3	P250 Y276 E277 S307	P250-G252 PolarHBondContact O-N 3.5Å; G252-Y276 WeakPolarHBondContact O-CA 3.43Å; G252-Y276 VanDerWaalsContact O-CD1 3.29Å; G252-Y276 WeakPolarHBondContact O-CD1 3.46Å; G252-E277 PolarHBondContact O-N 3.4Å; G252-S307 WeakPolarHBondContact CA-O 3.49Å
253	I	98.4	Very high	94.2	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.7	178.2	-60.9	179	0	0	0	109.7	E277 F296 M299 Y305 F308 V309	I253-E277 WeakPolarHBondContact CA-O 3.34Å; I253-F296 HydrophobicContact CG2-CD1 3.83Å; I253-F296 HydrophobicContact CG2-CE1 3.65Å; I253-M299 HydrophobicContact CD1-SD 3.5Å; I253-M299 WeakPolarHBondContact CD1-SD 3.3Å; I253-Y305 HydrophobicContact CD1-CD2 4.38Å; I253-Y305 HydrophobicContact CD1-CE2 3.95Å; I253-Y305 HydrophobicContact CG1-CD2 3.87Å; I253-Y305 HydrophobicContact CG1-CE2 3.58Å; I253-F308 HydrophobicContact CB-CD2 4.35Å; I253-F308 HydrophobicContact CG2-CE2 4.49Å; I253-V309 PolarHBondContact O-N 3.12Å
254	C	98.3	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	106	165.6	179.4	0	0	0	0	109.1	F271 Y276 E277 V278 Q279 V309	C254-F271 HydrophobicContact CB-CB 4.09Å; C254-F271 HydrophobicContact CB-CG 4.34Å; C254-F271 VanDerWaalsContact SG-CG 3.57Å; C254-Y276 HydrophobicContact CB-CD1 4.19Å; C254-Y276 HydrophobicContact CB-CG 4.17Å; C254-E277 PolarHBondContact N-O 3.44Å; C254-V278 HydrophobicContact CB-CG2 4.07Å; C254-V278 WeakPolarHBondContact O-CA 3.42Å; C254-Q279 PolarHBondContact O-N 3.28Å; C254-V309 CarbonylContact C-O 3.59Å; C254-V309 WeakPolarHBondContact CA-O 3.23Å; C254-V309 HydrophobicContact CB-CB 4.16Å
255	L	98.1	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119	175.3	172.5	60.1	0	0	0	109.3	I257 F281 I292 L293 F296 F308 V309 C310 V311	L255-I257 HydrophobicContact CD1-CD1 4.44Å; L255-I257 HydrophobicContact CD1-CG1 4.05Å; L255-I257 HydrophobicContact CD2-CD1 4.08Å; L255-I257 HydrophobicContact CD2-CG1 4.49Å; L255-I257 HydrophobicContact CG-CD1 4.24Å; L255-I257 HydrophobicContact CG-CG1 4.11Å; L255-F281 HydrophobicContact CD1-CD2 3.64Å; L255-F281 HydrophobicContact CD1-CE2 3.72Å; L255-I292 HydrophobicContact CD1-CG2 3.9Å; L255-I292 HydrophobicContact CD2-CG2 4.17Å; L255-L293 HydrophobicContact CD2-CD2 3.84Å; L255-F296 HydrophobicContact CB-CD1 4.04Å; L255-F296 HydrophobicContact CB-CE1 4.14Å; L255-F296 HydrophobicContact CD1-CD1 4.18Å; L255-F296 HydrophobicContact CD1-CD2 4.34Å; L255-F296 HydrophobicContact CD1-CE1 3.87Å; L255-F296 HydrophobicContact CD1-CE2 4.04Å; L255-F296 HydrophobicContact CD1-CG 4.4Å; L255-F296 HydrophobicContact CD1-CZ 3.79Å; L255-F296 HydrophobicContact CD2-CB 4.1Å; L255-F296 HydrophobicContact CD2-CD1 4.06Å; L255-F296 HydrophobicContact CD2-CD2 4.31Å; L255-F296 HydrophobicContact CD2-CG 3.9Å; L255-F296 HydrophobicContact CG-CD1 4.32Å; L255-F296 HydrophobicContact CG-CE1 4.42Å; L255-F308 HydrophobicContact CB-CE2 4.17Å; L255-F308 HydrophobicContact CB-CZ 4.2Å; L255-F308 HydrophobicContact CD2-CZ 4.42Å; L255-V309 PolarHBondContact N-O 3.28Å; L255-C310 CarbonylContact O-C 3.6Å; L255-C310 VanDerWaalsContact O-CA 3.29Å; L255-C310 WeakPolarHBondContact O-CA 3.49Å; L255-V311 PolarHBondContact O-N 3.46Å
256	I	97.5	Very high	92.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.5	173.7	-57	-177.1	0	0	0	108.5	L267 R268 V278 Q279 K280 F281 V311	I256-L267 HydrophobicContact CD1-CB 4.32Å; I256-R268 HydrophobicContact CD1-CB 4.24Å; I256-V278 HydrophobicContact CD1-CG1 3.57Å; I256-V278 HydrophobicContact CG1-CG1 3.93Å; I256-Q279 PolarHBondContact N-O 2.89Å; I256-K280 HydrophobicContact CB-CB 4.28Å; I256-K280 HydrophobicContact CB-CG 4.28Å; I256-K280 HydrophobicContact CG2-CD 4.48Å; I256-K280 HydrophobicContact CG2-CG 4.21Å; I256-K280 CarbonylContact O-C 3.41Å; I256-K280 VanDerWaalsContact O-CA 3.3Å; I256-K280 WeakPolarHBondContact O-CA 3.19Å; I256-F281 PolarHBondContact O-N 3.36Å; I256-V311 WeakPolarHBondContact CA-O 3.37Å; I256-V311 HydrophobicContact CG1-CB 4.16Å; I256-V311 HydrophobicContact CG1-CG2 4.32Å; I256-V311 HydrophobicContact CG2-CB 4.39Å
257	I	97	Very high	91.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.7	172.8	-63.6	171.3	0	0	0	107.4	L255 F281 L284 I289 I292 L293 V311 L312 V313	L255-I257 HydrophobicContact CD1-CD1 4.44Å; L255-I257 HydrophobicContact CD1-CG1 4.05Å; L255-I257 HydrophobicContact CD2-CD1 4.08Å; L255-I257 HydrophobicContact CD2-CG1 4.49Å; L255-I257 HydrophobicContact CG-CD1 4.24Å; L255-I257 HydrophobicContact CG-CG1 4.11Å; I257-F281 WeakPolarHBondContact CA-O 3.42Å; I257-L284 HydrophobicContact CD1-CD1 4.46Å; I257-L284 HydrophobicContact CG1-CD1 4.27Å; I257-L284 HydrophobicContact CG2-CD1 3.81Å; I257-L284 HydrophobicContact CG2-CG 4.45Å; I257-I289 HydrophobicContact CD1-CG2 4.42Å; I257-I289 HydrophobicContact CG2-CG1 4.15Å; I257-I292 HydrophobicContact CD1-CG2 4.14Å; I257-L293 HydrophobicContact CD1-CD2 4.12Å; I257-L293 HydrophobicContact CD1-CG 4.18Å; I257-V311 PolarHBondContact N-O 3.19Å; I257-L312 HydrophobicContact CB-CD1 3.76Å; I257-L312 HydrophobicContact CG2-CD1 3.6Å; I257-L312 WeakPolarHBondContact O-CA 3.42Å; I257-V313 PolarHBondContact O-N 3.1Å
258	D	95.4	Very high	91.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.8	176.2	177.9	12.7	0	0	0	110.7	I260 G261 N262 E263 F281 L282 H283 V313	D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact OD1-N 3.13Å; D258-G261 VanDerWaalsContact CG-N 3.26Å; D258-G261 PolarHBondContact OD1-N 3.03Å; D258-G261 WeakPolarHBondContact OD2-CA 3.47Å; D258-G261 PolarHBondContact OD2-N 3.47Å; D258-N262 PolarHBondContact OD2-N 3.48Å; D258-E263 HydrophobicContact CB-CB 4.09Å; D258-E263 WeakPolarHBondContact OD2-CB 3.45Å; D258-E263 PolarHBondContact OD2-N 2.92Å; D258-F281 PolarHBondContact N-O 2.87Å; D258-L282 HydrophobicContact CB-CD2 3.76Å; D258-L282 CarbonylContact O-C 3.56Å; D258-L282 VanDerWaalsContact O-CA 3.24Å; D258-L282 WeakPolarHBondContact O-CA 3.46Å; D258-H283 PolarHBondContact O-N 2.99Å; D258-V313 HydrophobicContact CB-CB 4.3Å
259	C	94.1	Very high	91.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-86.3	-4.3	179.8	-57.1	0	0	0	0	112.9	V313 V324	C259-V313 PolarHBondContact N-O 2.85Å; C259-V324 HydrophobicContact CB-CG1 4.35Å
260	I	91.6	Very high	91.6	Very high	20 Å²	20	24.5 Å²	24.5	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-103.9	-36.7	-178	-65.2	171.3	0	0	0	110.7	D258 N262 V313 R315 Y360 L413	D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact OD1-N 3.13Å; I260-N262 HydrophobicContact CG2-CB 3.93Å; I260-V313 HydrophobicContact CB-CG1 4.46Å; I260-V313 HydrophobicContact CD1-CG1 4.01Å; I260-R315 HydrophobicContact CD1-CG 4.39Å; I260-R315 HydrophobicContact CG1-CG 4.38Å; I260-Y360 HydrophobicContact CD1-CD2 3.18Å; I260-Y360 HydrophobicContact CD1-CE2 3.48Å; I260-Y360 VanDerWaalsContact CD1-CE2 3.48Å; I260-Y360 HydrophobicContact CD1-CG 4.13Å; I260-L413 HydrophobicContact CD1-CD1 3.61Å; I260-L413 HydrophobicContact CD1-CD2 4.22Å; I260-L413 HydrophobicContact CG1-CD1 4.14Å; I260-L413 HydrophobicContact CG2-CD1 4.11Å; I260-L413 HydrophobicContact CG2-CD2 3.79Å
261	G	87	Confident	91.6	Very high	39 Å²	39	23.1 Å²	23.1	40%	0.402	12%	0.124	S	C	.	.	S	Bend	trans	84.5	17.5	-176.4	0	0	0	0	0	113.4	D258	D258-G261 VanDerWaalsContact CG-N 3.26Å; D258-G261 PolarHBondContact OD1-N 3.03Å; D258-G261 WeakPolarHBondContact OD2-CA 3.47Å; D258-G261 PolarHBondContact OD2-N 3.47Å
262	N	80.8	Confident	91.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.146	C	C	.	.			trans	-101.4	-7.4	179	74	-13.6	0	0	0	113.2	D258 I260 T264 V313 Y360 H417 S419 P420	D258-N262 PolarHBondContact OD2-N 3.48Å; I260-N262 HydrophobicContact CG2-CB 3.93Å; N262-T264 PolarHBondContact O-N 3.29Å; N262-T264 VanDerWaalsContact O-N 3.14Å; N262-V313 WeakPolarHBondContact OD1-CG1 3.29Å; N262-Y360 PolarHBondContact ND2-OH 2.97Å; N262-Y360 VanDerWaalsContact ND2-OH 3.13Å; N262-H417 WeakPolarHBondContact CB-O 3.26Å; N262-S419 PolarHBondContact ND2-O 3.27Å; N262-P420 WeakPolarHBondContact O-CA 3.14Å
263	E	72.9	Confident	91.4	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.051	17%	0.165	C	C	.	.			trans	-74.3	105.1	171.8	-162.6	-84.3	152.4	0	0	108.4	D258 L267 K280 V313 L424	D258-E263 HydrophobicContact CB-CB 4.09Å; D258-E263 WeakPolarHBondContact OD2-CB 3.45Å; D258-E263 PolarHBondContact OD2-N 2.92Å; E263-L267 HydrophobicContact CG-CD1 3.95Å; E263-L267 WeakPolarHBondContact OE1-CB 3.46Å; E263-L267 WeakPolarHBondContact OE1-CG 3.31Å; E263-L267 PolarHBondContact OE1-N 3.28Å; E263-L267 VanDerWaalsContact OE1-N 3.11Å; E263-K280 PolarHBondContact O-NZ 2.95Å; E263-K280 VanDerWaalsContact O-NZ 3.08Å; E263-K280 IonicContact OE2-NZ 3.5Å; E263-K280 PolarHBondContact OE2-NZ 2.84Å; E263-V313 HydrophobicContact CB-CG2 4.46Å; E263-L424 HydrophobicContact CG-CD1 4.38Å
264	T	67.5	Low	91.3	Very high	72 Å²	72	29.4 Å²	29.4	44%	0.442	17%	0.165	S	C	.	.			trans	-62.6	161.7	169.7	14.6	0	0	0	0	109.8	N262 L266 P420	N262-T264 PolarHBondContact O-N 3.29Å; N262-T264 VanDerWaalsContact O-N 3.14Å; T264-L266 PolarHBondContact O-N 3.43Å; T264-P420 WeakPolarHBondContact OG1-CB 3.48Å; T264-P420 WeakPolarHBondContact OG1-CG 3.5Å
265	E	86.9	Confident	91.3	Very high	77 Å²	77	30.1 Å²	30.1	36%	0.36	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	3.2	176.8	-61.6	-62.8	102.2	0	0	115	L267 R268 D269 K280	E265-L267 PolarHBondContact O-N 3.23Å; E265-R268 WeakPolarHBondContact O-CB 3.47Å; E265-R268 PolarHBondContact O-N 2.69Å; E265-R268 WeakPolarHBondContact OE2-CD 3.3Å; E265-R268 IonicContact OE2-CZ 3.01Å; E265-R268 IonicContact OE2-NE 3.47Å; E265-R268 IonicContact OE2-NH1 3.28Å; E265-R268 PolarHBondContact OE2-NH1 2.7Å; E265-D269 WeakPolarHBondContact O-CB 3.4Å; E265-D269 PolarHBondContact O-N 2.69Å; E265-K280 IonicContact OE1-NZ 3.32Å; E265-K280 PolarHBondContact OE1-NZ 3.03Å
266	L	88.1	Confident	91.3	Very high	66 Å²	66	30.5 Å²	30.5	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-57.4	-46.5	-178.7	-162.5	86.3	0	0	0	113.4	T264 T270 Q425 S428	T264-L266 PolarHBondContact O-N 3.43Å; L266-T270 WeakPolarHBondContact O-CB 3.43Å; L266-T270 PolarHBondContact O-N 3.07Å; L266-T270 PolarHBondContact O-OG1 3.37Å; L266-T270 VanDerWaalsContact O-OG1 3.05Å; L266-Q425 HydrophobicContact CD2-CB 4.43Å; L266-Q425 HydrophobicContact CD2-CG 4.28Å; L266-S428 VanDerWaalsContact CD2-CB 3.45Å; L266-S428 WeakPolarHBondContact CG-OG 3.46Å; L266-S428 PolarHBondContact O-OG 2.84Å; L266-S428 VanDerWaalsContact O-OG 3.13Å
267	L	91	Very high	91.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-75.7	-37	178.3	-62.7	167.5	0	0	0	111.1	I256 E263 E265 D269 T270 F271 V311 L424	I256-L267 HydrophobicContact CD1-CB 4.32Å; E263-L267 HydrophobicContact CG-CD1 3.95Å; E263-L267 WeakPolarHBondContact OE1-CB 3.46Å; E263-L267 WeakPolarHBondContact OE1-CG 3.31Å; E263-L267 PolarHBondContact OE1-N 3.28Å; E263-L267 VanDerWaalsContact OE1-N 3.11Å; E265-L267 PolarHBondContact O-N 3.23Å; L267-D269 VanDerWaalsContact C-N 3.31Å; L267-D269 PolarHBondContact O-N 3.47Å; L267-T270 PolarHBondContact O-N 3.01Å; L267-F271 HydrophobicContact CB-CD2 4.22Å; L267-F271 HydrophobicContact CB-CE2 4.37Å; L267-F271 HydrophobicContact CD2-CE2 4.24Å; L267-F271 VanDerWaalsContact O-CD2 3.31Å; L267-F271 WeakPolarHBondContact O-CD2 3.26Å; L267-F271 PolarHBondContact O-N 3.27Å; L267-V311 HydrophobicContact CD1-CG1 3.74Å; L267-V311 HydrophobicContact CD1-CG2 4.46Å; L267-L424 HydrophobicContact CD1-CB 4.09Å; L267-L424 HydrophobicContact CD1-CD1 4.12Å; L267-L424 HydrophobicContact CD1-CD2 3.91Å; L267-L424 HydrophobicContact CD1-CG 4.24Å
268	R	94.8	Very high	91.3	Very high	108 Å²	108	35.2 Å²	35.2	41%	0.408	20%	0.198	S	C	.	.	H	α-helix	trans	-54.3	-51.4	173.3	-175.3	-172	-169.6	-174.5	0.6	110.5	I256 E265 T270 T272 V278	I256-R268 HydrophobicContact CD1-CB 4.24Å; E265-R268 WeakPolarHBondContact O-CB 3.47Å; E265-R268 PolarHBondContact O-N 2.69Å; E265-R268 WeakPolarHBondContact OE2-CD 3.3Å; E265-R268 IonicContact OE2-CZ 3.01Å; E265-R268 IonicContact OE2-NE 3.47Å; E265-R268 IonicContact OE2-NH1 3.28Å; E265-R268 PolarHBondContact OE2-NH1 2.7Å; R268-T270 VanDerWaalsContact C-N 3.32Å; R268-T270 PolarHBondContact O-N 2.9Å; R268-T272 VanDerWaalsContact O-CB 3.22Å; R268-T272 WeakPolarHBondContact O-CB 3.32Å; R268-T272 PolarHBondContact O-N 2.84Å; R268-T272 PolarHBondContact O-OG1 2.89Å; R268-V278 HydrophobicContact CB-CG1 4.34Å; R268-V278 HydrophobicContact CG-CB 4.13Å; R268-V278 HydrophobicContact CG-CG1 3.82Å; R268-V278 HydrophobicContact CG-CG2 4.49Å
269	D	95.7	Very high	91.4	Very high	83 Å²	83	38 Å²	38	44%	0.444	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-39.4	178.6	-71.2	-14.3	0	0	0	111.7	E265 L267 S273	E265-D269 WeakPolarHBondContact O-CB 3.4Å; E265-D269 PolarHBondContact O-N 2.69Å; L267-D269 VanDerWaalsContact C-N 3.31Å; L267-D269 PolarHBondContact O-N 3.47Å; D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.26Å
270	T	95.6	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-49.9	179.8	-71.7	0	0	0	0	111.8	L266 L267 R268 T272 S273 L274 S428 L431 R432	L266-T270 WeakPolarHBondContact O-CB 3.43Å; L266-T270 PolarHBondContact O-N 3.07Å; L266-T270 PolarHBondContact O-OG1 3.37Å; L266-T270 VanDerWaalsContact O-OG1 3.05Å; L267-T270 PolarHBondContact O-N 3.01Å; R268-T270 VanDerWaalsContact C-N 3.32Å; R268-T270 PolarHBondContact O-N 2.9Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.2Å; T270-S273 WeakPolarHBondContact O-CB 3.4Å; T270-S273 PolarHBondContact O-N 2.99Å; T270-S273 VanDerWaalsContact O-N 3.16Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.94Å; T270-S428 VanDerWaalsContact CB-OG 3.31Å; T270-S428 WeakPolarHBondContact CB-OG 3.45Å; T270-S428 PolarHBondContact OG1-OG 3.06Å; T270-L431 HydrophobicContact CG2-CB 3.83Å; T270-R432 HydrophobicContact CG2-CB 4.24Å; T270-R432 PolarHBondContact OG1-NE 3.33Å; T270-R432 PolarHBondContact OG1-NH2 2.81Å
271	F	96.6	Very high	91.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-34.5	178.1	-76.4	-69.4	0	0	0	112.4	C254 L267 S273 L274 G275 Y276 V278 V309 V311 F356 L431	C254-F271 HydrophobicContact CB-CB 4.09Å; C254-F271 HydrophobicContact CB-CG 4.34Å; C254-F271 VanDerWaalsContact SG-CG 3.57Å; L267-F271 HydrophobicContact CB-CD2 4.22Å; L267-F271 HydrophobicContact CB-CE2 4.37Å; L267-F271 HydrophobicContact CD2-CE2 4.24Å; L267-F271 VanDerWaalsContact O-CD2 3.31Å; L267-F271 WeakPolarHBondContact O-CD2 3.26Å; L267-F271 PolarHBondContact O-N 3.27Å; F271-S273 VanDerWaalsContact C-N 3.34Å; F271-L274 HydrophobicContact CD1-CD1 3.99Å; F271-L274 HydrophobicContact CE1-CD1 4.24Å; F271-L274 PolarHBondContact O-N 2.88Å; F271-G275 PolarHBondContact O-N 2.91Å; F271-Y276 HydrophobicContact CD1-CD2 4.03Å; F271-Y276 HydrophobicContact CD1-CE2 4.32Å; F271-Y276 HydrophobicContact CD1-CG 4.49Å; F271-Y276 WeakPolarHBondContact O-CB 3.5Å; F271-Y276 PolarHBondContact O-N 2.96Å; F271-V278 HydrophobicContact CB-CG2 3.93Å; F271-V309 HydrophobicContact CD1-CG1 4.29Å; F271-V309 HydrophobicContact CD1-CG2 4.38Å; F271-V309 HydrophobicContact CE1-CB 4.44Å; F271-V309 HydrophobicContact CE1-CG1 3.77Å; F271-V309 HydrophobicContact CE1-CG2 4.03Å; F271-V309 HydrophobicContact CE2-CG1 4.27Å; F271-V309 HydrophobicContact CZ-CG1 3.76Å; F271-V311 HydrophobicContact CD2-CG2 4.49Å; F271-V311 HydrophobicContact CE2-CG2 3.84Å; F271-F356 HydrophobicContact CZ-CD2 4.19Å; F271-F356 AromaticContact CZ-CE2 3.99Å; F271-F356 HydrophobicContact CZ-CE2 3.99Å; F271-L431 HydrophobicContact CE1-CD1 4.03Å; F271-L431 HydrophobicContact CZ-CD1 3.82Å
272	T	97	Very high	92.2	Very high	76 Å²	76	44.4 Å²	44.4	47%	0.466	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-46	169.6	-56.7	0	0	0	0	110.5	R268 T270 L274 G275 V278	R268-T272 VanDerWaalsContact O-CB 3.22Å; R268-T272 WeakPolarHBondContact O-CB 3.32Å; R268-T272 PolarHBondContact O-N 2.84Å; R268-T272 PolarHBondContact O-OG1 2.89Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.2Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 3.32Å; T272-G275 WeakPolarHBondContact O-CA 3.38Å; T272-G275 PolarHBondContact O-N 3.43Å; T272-V278 WeakPolarHBondContact OG1-CG2 3.42Å
273	S	96.2	Very high	92.8	Very high	56 Å²	56	49.6 Å²	49.6	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-32.2	176.9	-172.6	0	0	0	0	113	D269 T270 F271 G275 R435	D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.26Å; T270-S273 WeakPolarHBondContact O-CB 3.4Å; T270-S273 PolarHBondContact O-N 2.99Å; T270-S273 VanDerWaalsContact O-N 3.16Å; F271-S273 VanDerWaalsContact C-N 3.34Å; S273-G275 PolarHBondContact O-N 3.41Å; S273-R435 PolarHBondContact O-NH1 3.38Å; S273-R435 PolarHBondContact OG-NH2 3.41Å
274	L	96.3	Very high	93.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-72.4	-17.3	173.7	-66.8	179.5	0	0	0	112.9	L251 T270 F271 T272 Y276 L431 R435 L477	L251-L274 VanDerWaalsContact CD1-O 3.22Å; L251-L274 WeakPolarHBondContact CD1-O 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.94Å; F271-L274 HydrophobicContact CD1-CD1 3.99Å; F271-L274 HydrophobicContact CE1-CD1 4.24Å; F271-L274 PolarHBondContact O-N 2.88Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 3.32Å; L274-Y276 HydrophobicContact CB-CD2 4.01Å; L274-Y276 HydrophobicContact CB-CE2 4.25Å; L274-L431 HydrophobicContact CD1-CB 4.25Å; L274-L431 HydrophobicContact CD1-CD1 4.38Å; L274-R435 HydrophobicContact CD2-CB 3.45Å; L274-R435 VanDerWaalsContact CD2-CB 3.45Å; L274-R435 HydrophobicContact CD2-CG 4.36Å; L274-L477 HydrophobicContact CD1-CB 4.2Å; L274-L477 HydrophobicContact CD1-CD1 4.34Å
275	G	96.9	Very high	95.2	Very high	16 Å²	16	48.8 Å²	48.8	17%	0.165	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	26	179.2	0	0	0	0	0	114.4	P250 L251 F271 T272 S273	P250-G275 CarbonylContact C-O 3.58Å; P250-G275 VanDerWaalsContact CA-O 3.26Å; P250-G275 WeakPolarHBondContact CA-O 3.34Å; P250-G275 VanDerWaalsContact CB-O 3.25Å; P250-G275 WeakPolarHBondContact CB-O 3.36Å; L251-G275 PolarHBondContact N-O 2.93Å; F271-G275 PolarHBondContact O-N 2.91Å; T272-G275 WeakPolarHBondContact O-CA 3.38Å; T272-G275 PolarHBondContact O-N 3.43Å; S273-G275 PolarHBondContact O-N 3.41Å
276	Y	98.1	Very high	95.6	Very high	8 Å²	8	46.9 Å²	46.9	3%	0.031	24%	0.242	C	C	.	.			trans	-91.1	150.2	169.9	-72.3	-97.8	0	0	0	111.4	L251 G252 C254 F271 L274 S307 V309 M354	L251-Y276 HydrophobicContact CB-CD2 4.37Å; L251-Y276 HydrophobicContact CB-CE1 4.22Å; L251-Y276 HydrophobicContact CB-CE2 4.07Å; L251-Y276 HydrophobicContact CD1-CD2 4.46Å; L251-Y276 HydrophobicContact CD1-CE2 3.93Å; G252-Y276 WeakPolarHBondContact O-CA 3.43Å; G252-Y276 VanDerWaalsContact O-CD1 3.29Å; G252-Y276 WeakPolarHBondContact O-CD1 3.46Å; C254-Y276 HydrophobicContact CB-CD1 4.19Å; C254-Y276 HydrophobicContact CB-CG 4.17Å; F271-Y276 HydrophobicContact CD1-CD2 4.03Å; F271-Y276 HydrophobicContact CD1-CE2 4.32Å; F271-Y276 HydrophobicContact CD1-CG 4.49Å; F271-Y276 WeakPolarHBondContact O-CB 3.5Å; F271-Y276 PolarHBondContact O-N 2.96Å; L274-Y276 HydrophobicContact CB-CD2 4.01Å; L274-Y276 HydrophobicContact CB-CE2 4.25Å; Y276-S307 WeakPolarHBondContact CE1-OG 2.98Å; Y276-S307 VanDerWaalsContact CZ-OG 3.3Å; Y276-S307 PolarHBondContact OH-OG 2.84Å; Y276-V309 HydrophobicContact CD1-CG2 4.09Å; Y276-V309 HydrophobicContact CE1-CB 4.35Å; Y276-V309 HydrophobicContact CE1-CG2 3.5Å; Y276-V309 VanDerWaalsContact CE1-CG2 3.5Å; Y276-V309 HydrophobicContact CE2-CG2 4.4Å; Y276-M354 WeakPolarHBondContact OH-CE 3.34Å
277	E	98	Very high	95.8	Very high	76 Å²	76	49.4 Å²	49.4	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.4	164.6	-175	-167.1	133.9	0	0	108.7	P250 G252 I253 C254 Q279 Y305	P250-E277 HydrophobicContact CB-CB 4.2Å; P250-E277 HydrophobicContact CG-CB 3.99Å; G252-E277 PolarHBondContact O-N 3.4Å; I253-E277 WeakPolarHBondContact CA-O 3.34Å; C254-E277 PolarHBondContact N-O 3.44Å; E277-Q279 PolarHBondContact OE1-NE2 3.44Å; E277-Y305 PolarHBondContact OE2-OH 3.44Å
278	V	97.9	Very high	96.1	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.7	-174.4	-170.8	0	0	0	0	111.2	C254 I256 R268 F271 T272	C254-V278 HydrophobicContact CB-CG2 4.07Å; C254-V278 WeakPolarHBondContact O-CA 3.42Å; I256-V278 HydrophobicContact CD1-CG1 3.57Å; I256-V278 HydrophobicContact CG1-CG1 3.93Å; R268-V278 HydrophobicContact CB-CG1 4.34Å; R268-V278 HydrophobicContact CG-CB 4.13Å; R268-V278 HydrophobicContact CG-CG1 3.82Å; R268-V278 HydrophobicContact CG-CG2 4.49Å; F271-V278 HydrophobicContact CB-CG2 3.93Å; T272-V278 WeakPolarHBondContact OG1-CG2 3.42Å
279	Q	97.3	Very high	96.2	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.28	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.1	171.8	-60.4	-167	32.3	0	0	109.5	C254 I256 E277 F281 F296	C254-Q279 PolarHBondContact O-N 3.28Å; I256-Q279 PolarHBondContact N-O 2.89Å; E277-Q279 PolarHBondContact OE1-NE2 3.44Å; Q279-F281 HydrophobicContact CB-CE2 4.29Å; Q279-F296 HydrophobicContact CB-CE1 4.05Å; Q279-F296 HydrophobicContact CB-CZ 3.84Å; Q279-F296 HydrophobicContact CG-CE1 4.37Å; Q279-F296 HydrophobicContact CG-CZ 4.3Å
280	K	96.1	Very high	96.2	Very high	53 Å²	53	42.3 Å²	42.3	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.2	-173.9	-179.5	169	174.8	165	0	110.7	I256 E263 E265 L282	I256-K280 HydrophobicContact CB-CB 4.28Å; I256-K280 HydrophobicContact CB-CG 4.28Å; I256-K280 HydrophobicContact CG2-CD 4.48Å; I256-K280 HydrophobicContact CG2-CG 4.21Å; I256-K280 CarbonylContact O-C 3.41Å; I256-K280 VanDerWaalsContact O-CA 3.3Å; I256-K280 WeakPolarHBondContact O-CA 3.19Å; E263-K280 PolarHBondContact O-NZ 2.95Å; E263-K280 VanDerWaalsContact O-NZ 3.08Å; E263-K280 IonicContact OE2-NZ 3.5Å; E263-K280 PolarHBondContact OE2-NZ 2.84Å; E265-K280 IonicContact OE1-NZ 3.32Å; E265-K280 PolarHBondContact OE1-NZ 3.03Å; K280-L282 HydrophobicContact CD-CD2 4.46Å; K280-L282 VanDerWaalsContact CE-CD2 3.48Å; K280-L282 HydrophobicContact CG-CD2 4.28Å
281	F	96.9	Very high	96.2	Very high	61 Å²	61	48 Å²	48	27%	0.268	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.9	173.4	-61.7	-90	0	0	0	109.7	L255 I256 I257 D258 Q279 L284 I292 F296	L255-F281 HydrophobicContact CD1-CD2 3.64Å; L255-F281 HydrophobicContact CD1-CE2 3.72Å; I256-F281 PolarHBondContact O-N 3.36Å; I257-F281 WeakPolarHBondContact CA-O 3.42Å; D258-F281 PolarHBondContact N-O 2.87Å; Q279-F281 HydrophobicContact CB-CE2 4.29Å; F281-L284 HydrophobicContact CB-CD1 3.81Å; F281-L284 HydrophobicContact CB-CD2 4.35Å; F281-L284 HydrophobicContact CB-CG 4.16Å; F281-I292 HydrophobicContact CB-CD1 4.21Å; F281-I292 HydrophobicContact CD1-CD1 3.53Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; F281-I292 HydrophobicContact CD2-CG2 4.03Å; F281-I292 HydrophobicContact CE1-CD1 3.9Å; F281-I292 HydrophobicContact CE1-CG1 4.47Å; F281-I292 HydrophobicContact CE2-CG2 4.04Å; F281-I292 HydrophobicContact CG-CD1 3.74Å; F281-I292 HydrophobicContact CZ-CD1 4.42Å; F281-F296 AromaticContact CE2-CE2 3.68Å; F281-F296 HydrophobicContact CE2-CE2 3.68Å; F281-F296 AromaticContact CE2-CZ 3.66Å; F281-F296 HydrophobicContact CE2-CZ 3.66Å; F281-F296 AromaticContact CZ-CE2 3.97Å; F281-F296 HydrophobicContact CZ-CE2 3.97Å; F281-F296 HydrophobicContact CZ-CZ 4.15Å
282	L	95.2	Very high	96.3	Very high	80 Å²	80	48.8 Å²	48.8	42%	0.419	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.9	-175.9	-62	179.3	0	0	0	111.4	D258 K280 L284	D258-L282 HydrophobicContact CB-CD2 3.76Å; D258-L282 CarbonylContact O-C 3.56Å; D258-L282 VanDerWaalsContact O-CA 3.24Å; D258-L282 WeakPolarHBondContact O-CA 3.46Å; K280-L282 HydrophobicContact CD-CD2 4.46Å; K280-L282 VanDerWaalsContact CE-CD2 3.48Å; K280-L282 HydrophobicContact CG-CD2 4.28Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 PolarHBondContact O-N 2.82Å
283	H	94	Very high	96.3	Very high	112 Å²	112	45.2 Å²	45.2	52%	0.519	24%	0.235	S	C	.	.	S	Bend	trans	54	41.1	168.1	-45.3	100.9	0	0	0	114.6	D258 V324	D258-H283 PolarHBondContact O-N 2.99Å; H283-V324 HydrophobicContact CB-CG1 4.01Å
284	L	95.9	Very high	96.3	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.141	23%	0.229	C	C	.	.			trans	-79.5	141.1	179.5	-60.4	-178.9	0	0	0	111.9	I257 F281 L282 I289 I292 G323 V324	I257-L284 HydrophobicContact CD1-CD1 4.46Å; I257-L284 HydrophobicContact CG1-CD1 4.27Å; I257-L284 HydrophobicContact CG2-CD1 3.81Å; I257-L284 HydrophobicContact CG2-CG 4.45Å; F281-L284 HydrophobicContact CB-CD1 3.81Å; F281-L284 HydrophobicContact CB-CD2 4.35Å; F281-L284 HydrophobicContact CB-CG 4.16Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 PolarHBondContact O-N 2.82Å; L284-I289 HydrophobicContact CB-CG1 3.81Å; L284-I289 HydrophobicContact CD1-CG1 4.32Å; L284-I292 HydrophobicContact CD1-CD1 3.36Å; L284-I292 HydrophobicContact CD1-CG1 4.47Å; L284-I292 HydrophobicContact CD2-CD1 3.79Å; L284-I292 HydrophobicContact CG-CD1 4.22Å; L284-G323 CarbonylContact O-C 3.6Å; L284-G323 VanDerWaalsContact O-CA 3.27Å; L284-G323 WeakPolarHBondContact O-CA 3.39Å; L284-V324 PolarHBondContact O-N 3.41Å
285	S	95.4	Very high	96.4	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-70.5	166.6	163.5	62.4	0	0	0	0	110.7	H287 G288 I289 D325	S285-H287 PolarHBondContact O-N 3.19Å; S285-G288 CarbonylContact O-C 3.52Å; S285-G288 WeakPolarHBondContact O-CA 3.37Å; S285-G288 PolarHBondContact O-N 3.24Å; S285-G288 PolarHBondContact OG-N 3.41Å; S285-I289 WeakPolarHBondContact O-CG1 3.27Å; S285-I289 PolarHBondContact O-N 3.32Å; S285-D325 VanDerWaalsContact CB-OD1 3.3Å; S285-D325 WeakPolarHBondContact CB-OD1 3.47Å; S285-D325 WeakPolarHBondContact CB-OD2 3.25Å
286	M	93.7	Very high	96.4	Very high	38 Å²	38	48.2 Å²	48.2	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-38.8	173.4	-69.1	179.2	36	0	0	112.4	I289 S290 Y322 D325 T327 S329 G330 L331	M286-I289 PolarHBondContact O-N 2.81Å; M286-S290 WeakPolarHBondContact O-CB 3.4Å; M286-S290 PolarHBondContact O-N 2.96Å; M286-S290 PolarHBondContact O-OG 3.24Å; M286-Y322 VanDerWaalsContact CG-C 3.49Å; M286-Y322 WeakPolarHBondContact CG-O 3.42Å; M286-D325 WeakPolarHBondContact CB-OD2 3.49Å; M286-D325 HydrophobicContact CG-CB 4.49Å; M286-D325 WeakPolarHBondContact CG-OD2 3.45Å; M286-D325 PolarHBondContact N-OD2 2.86Å; M286-T327 HydrophobicContact SD-CG2 3.62Å; M286-S329 VanDerWaalsContact CE-O 3.29Å; M286-S329 WeakPolarHBondContact CE-O 3.45Å; M286-G330 VanDerWaalsContact CE-C 3.45Å; M286-L331 HydrophobicContact CE-CB 4.14Å
287	H	94.1	Very high	96.4	Very high	119 Å²	119	48 Å²	48	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-64.2	-46.4	175.4	-173.3	69.5	0	0	0	111.1	S285 I289 S290 Q291	S285-H287 PolarHBondContact O-N 3.19Å; H287-I289 PolarHBondContact O-N 2.85Å; H287-S290 PolarHBondContact O-N 3.07Å; H287-Q291 WeakPolarHBondContact O-CB 3.49Å; H287-Q291 PolarHBondContact O-N 3.5Å
288	G	96.3	Very high	96.3	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-42	176	0	0	0	0	0	112.9	S285 Q291 I292	S285-G288 CarbonylContact O-C 3.52Å; S285-G288 WeakPolarHBondContact O-CA 3.37Å; S285-G288 PolarHBondContact O-N 3.24Å; S285-G288 PolarHBondContact OG-N 3.41Å; G288-Q291 PolarHBondContact O-N 2.93Å; G288-I292 WeakPolarHBondContact O-CB 3.43Å; G288-I292 PolarHBondContact O-N 2.84Å
289	I	96.6	Very high	96.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-50.4	174.2	-65.1	170.4	0	0	0	110.1	I257 L284 S285 M286 H287 Q291 I292 L293 V321 L331	I257-I289 HydrophobicContact CD1-CG2 4.42Å; I257-I289 HydrophobicContact CG2-CG1 4.15Å; L284-I289 HydrophobicContact CB-CG1 3.81Å; L284-I289 HydrophobicContact CD1-CG1 4.32Å; S285-I289 WeakPolarHBondContact O-CG1 3.27Å; S285-I289 PolarHBondContact O-N 3.32Å; M286-I289 PolarHBondContact O-N 2.81Å; H287-I289 PolarHBondContact O-N 2.85Å; I289-Q291 VanDerWaalsContact C-N 3.34Å; I289-Q291 PolarHBondContact O-N 2.96Å; I289-I292 PolarHBondContact O-N 3.42Å; I289-L293 HydrophobicContact CG2-CD1 3.57Å; I289-L293 HydrophobicContact CG2-CG 4.23Å; I289-L293 WeakPolarHBondContact O-CB 3.38Å; I289-L293 VanDerWaalsContact O-CG 3.24Å; I289-L293 WeakPolarHBondContact O-CG 3.43Å; I289-L293 PolarHBondContact O-N 2.86Å; I289-V321 HydrophobicContact CD1-CG2 4.44Å; I289-L331 HydrophobicContact CB-CD2 4.38Å; I289-L331 HydrophobicContact CG2-CD2 3.73Å
290	S	95.4	Very high	96.1	Very high	31 Å²	31	49.4 Å²	49.4	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-41.8	-178.8	-57.5	0	0	0	0	112.1	M286 H287 G294	M286-S290 WeakPolarHBondContact O-CB 3.4Å; M286-S290 PolarHBondContact O-N 2.96Å; M286-S290 PolarHBondContact O-OG 3.24Å; H287-S290 PolarHBondContact O-N 3.07Å; S290-G294 PolarHBondContact O-N 3.38Å
291	Q	97.2	Very high	96.1	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-64.3	-48.6	178.1	-177.8	179.7	-15.1	0	0	111.6	H287 G288 I289 G294 Q295	H287-Q291 WeakPolarHBondContact O-CB 3.49Å; H287-Q291 PolarHBondContact O-N 3.5Å; G288-Q291 PolarHBondContact O-N 2.93Å; I289-Q291 VanDerWaalsContact C-N 3.34Å; I289-Q291 PolarHBondContact O-N 2.96Å; Q291-G294 PolarHBondContact O-N 3.35Å; Q291-Q295 WeakPolarHBondContact O-CB 3.26Å; Q291-Q295 PolarHBondContact O-N 3.08Å
292	I	97.3	Very high	96.1	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.087	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-44.4	-179.7	-79	163.6	0	0	0	111	L255 I257 F281 L284 G288 I289 G294 Q295 F296	L255-I292 HydrophobicContact CD1-CG2 3.9Å; L255-I292 HydrophobicContact CD2-CG2 4.17Å; I257-I292 HydrophobicContact CD1-CG2 4.14Å; F281-I292 HydrophobicContact CB-CD1 4.21Å; F281-I292 HydrophobicContact CD1-CD1 3.53Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; F281-I292 HydrophobicContact CD2-CG2 4.03Å; F281-I292 HydrophobicContact CE1-CD1 3.9Å; F281-I292 HydrophobicContact CE1-CG1 4.47Å; F281-I292 HydrophobicContact CE2-CG2 4.04Å; F281-I292 HydrophobicContact CG-CD1 3.74Å; F281-I292 HydrophobicContact CZ-CD1 4.42Å; L284-I292 HydrophobicContact CD1-CD1 3.36Å; L284-I292 HydrophobicContact CD1-CG1 4.47Å; L284-I292 HydrophobicContact CD2-CD1 3.79Å; L284-I292 HydrophobicContact CG-CD1 4.22Å; G288-I292 WeakPolarHBondContact O-CB 3.43Å; G288-I292 PolarHBondContact O-N 2.84Å; I289-I292 PolarHBondContact O-N 3.42Å; I292-G294 VanDerWaalsContact C-N 3.32Å; I292-G294 PolarHBondContact O-N 3.25Å; I292-Q295 PolarHBondContact O-N 2.99Å; I292-F296 HydrophobicContact CG2-CD2 3.95Å; I292-F296 HydrophobicContact CG2-CE2 4Å; I292-F296 VanDerWaalsContact O-CD2 3.24Å; I292-F296 WeakPolarHBondContact O-CD2 3.43Å; I292-F296 PolarHBondContact O-N 3.13Å
293	L	97.7	Very high	96.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-43.1	175.4	-71.4	171.2	0	0	0	111.7	L255 I257 I289 F296 A297 I336 M339 F340	L255-L293 HydrophobicContact CD2-CD2 3.84Å; I257-L293 HydrophobicContact CD1-CD2 4.12Å; I257-L293 HydrophobicContact CD1-CG 4.18Å; I289-L293 HydrophobicContact CG2-CD1 3.57Å; I289-L293 HydrophobicContact CG2-CG 4.23Å; I289-L293 WeakPolarHBondContact O-CB 3.38Å; I289-L293 VanDerWaalsContact O-CG 3.24Å; I289-L293 WeakPolarHBondContact O-CG 3.43Å; I289-L293 PolarHBondContact O-N 2.86Å; L293-F296 PolarHBondContact O-N 3.31Å; L293-A297 WeakPolarHBondContact O-CB 3.3Å; L293-A297 PolarHBondContact O-N 3.45Å; L293-I336 HydrophobicContact CD1-CB 4.28Å; L293-I336 HydrophobicContact CD1-CD1 3.99Å; L293-I336 HydrophobicContact CD1-CG1 3.73Å; L293-I336 HydrophobicContact CD1-CG2 3.86Å; L293-I336 HydrophobicContact CD2-CG2 4.43Å; L293-M339 HydrophobicContact CB-SD 3.78Å; L293-F340 HydrophobicContact CB-CE2 4.32Å; L293-F340 HydrophobicContact CD2-CE2 4.01Å; L293-F340 HydrophobicContact CD2-CZ 4.3Å
294	G	96.7	Very high	96.3	Very high	24 Å²	24	52.1 Å²	52.1	25%	0.247	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-42.9	175.7	0	0	0	0	0	113	S290 Q291 I292 A297 C298	S290-G294 PolarHBondContact O-N 3.38Å; Q291-G294 PolarHBondContact O-N 3.35Å; I292-G294 VanDerWaalsContact C-N 3.32Å; I292-G294 PolarHBondContact O-N 3.25Å; G294-A297 PolarHBondContact O-N 3.17Å; G294-C298 PolarHBondContact O-N 3.42Å; G294-C298 PolarHBondContact O-SG 2.94Å
295	Q	97.5	Very high	96.4	Very high	111 Å²	111	52.4 Å²	52.4	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-48.6	176	-178	-179.9	-7	0	0	111.4	Q291 I292 A297 C298 M299	Q291-Q295 WeakPolarHBondContact O-CB 3.26Å; Q291-Q295 PolarHBondContact O-N 3.08Å; I292-Q295 PolarHBondContact O-N 2.99Å; Q295-A297 VanDerWaalsContact C-N 3.34Å; Q295-A297 PolarHBondContact O-N 3.35Å; Q295-C298 PolarHBondContact O-N 3.49Å; Q295-C298 VanDerWaalsContact O-N 3.1Å; Q295-M299 PolarHBondContact O-N 2.92Å
296	F	97.8	Very high	96.6	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-33.6	179.9	-84.4	-111.9	0	0	0	112.1	I253 L255 Q279 F281 I292 L293 C298 M299 H302	I253-F296 HydrophobicContact CG2-CD1 3.83Å; I253-F296 HydrophobicContact CG2-CE1 3.65Å; L255-F296 HydrophobicContact CB-CD1 4.04Å; L255-F296 HydrophobicContact CB-CE1 4.14Å; L255-F296 HydrophobicContact CD1-CD1 4.18Å; L255-F296 HydrophobicContact CD1-CD2 4.34Å; L255-F296 HydrophobicContact CD1-CE1 3.87Å; L255-F296 HydrophobicContact CD1-CE2 4.04Å; L255-F296 HydrophobicContact CD1-CG 4.4Å; L255-F296 HydrophobicContact CD1-CZ 3.79Å; L255-F296 HydrophobicContact CD2-CB 4.1Å; L255-F296 HydrophobicContact CD2-CD1 4.06Å; L255-F296 HydrophobicContact CD2-CD2 4.31Å; L255-F296 HydrophobicContact CD2-CG 3.9Å; L255-F296 HydrophobicContact CG-CD1 4.32Å; L255-F296 HydrophobicContact CG-CE1 4.42Å; Q279-F296 HydrophobicContact CB-CE1 4.05Å; Q279-F296 HydrophobicContact CB-CZ 3.84Å; Q279-F296 HydrophobicContact CG-CE1 4.37Å; Q279-F296 HydrophobicContact CG-CZ 4.3Å; F281-F296 AromaticContact CE2-CE2 3.68Å; F281-F296 HydrophobicContact CE2-CE2 3.68Å; F281-F296 AromaticContact CE2-CZ 3.66Å; F281-F296 HydrophobicContact CE2-CZ 3.66Å; F281-F296 AromaticContact CZ-CE2 3.97Å; F281-F296 HydrophobicContact CZ-CE2 3.97Å; F281-F296 HydrophobicContact CZ-CZ 4.15Å; I292-F296 HydrophobicContact CG2-CD2 3.95Å; I292-F296 HydrophobicContact CG2-CE2 4Å; I292-F296 VanDerWaalsContact O-CD2 3.24Å; I292-F296 WeakPolarHBondContact O-CD2 3.43Å; I292-F296 PolarHBondContact O-N 3.13Å; L293-F296 PolarHBondContact O-N 3.31Å; F296-C298 PolarHBondContact O-N 3.48Å; F296-M299 HydrophobicContact CB-SD 4.43Å; F296-M299 HydrophobicContact CD1-CE 3.99Å; F296-M299 HydrophobicContact CD1-SD 3.78Å; F296-M299 HydrophobicContact CD2-CE 3.87Å; F296-M299 HydrophobicContact CD2-SD 4.48Å; F296-M299 HydrophobicContact CE1-CE 3.93Å; F296-M299 HydrophobicContact CE1-SD 4.12Å; F296-M299 HydrophobicContact CE2-CE 3.81Å; F296-M299 HydrophobicContact CG-CE 3.98Å; F296-M299 HydrophobicContact CG-SD 3.99Å; F296-M299 HydrophobicContact CZ-CE 3.84Å; F296-M299 PolarHBondContact O-N 3.33Å; F296-H302 PolarHBondContact O-CD2 3.13Å; F296-H302 VanDerWaalsContact O-CD2 3.26Å; F296-H302 PolarHBondContact O-NE2 3.05Å
297	A	96.8	Very high	96.8	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-25	173.3	0	0	0	0	0	112.7	L293 G294 Q295 M339 F340 C345	L293-A297 WeakPolarHBondContact O-CB 3.3Å; L293-A297 PolarHBondContact O-N 3.45Å; G294-A297 PolarHBondContact O-N 3.17Å; Q295-A297 VanDerWaalsContact C-N 3.34Å; Q295-A297 PolarHBondContact O-N 3.35Å; A297-M339 HydrophobicContact CB-CB 4.46Å; A297-M339 WeakPolarHBondContact CB-O 3.23Å; A297-F340 HydrophobicContact CB-CD1 4.13Å; A297-F340 HydrophobicContact CB-CE1 3.86Å; A297-F340 HydrophobicContact CB-CE2 4.28Å; A297-F340 HydrophobicContact CB-CG 4.46Å; A297-F340 HydrophobicContact CB-CZ 3.94Å; A297-C345 PolarHBondContact O-SG 3.22Å
298	C	95.9	Very high	97	Very high	90 Å²	90	43.6 Å²	43.6	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1.2	-178	-62.4	0	0	0	0	114.4	G294 Q295 F296 P300	G294-C298 PolarHBondContact O-N 3.42Å; G294-C298 PolarHBondContact O-SG 2.94Å; Q295-C298 PolarHBondContact O-N 3.49Å; Q295-C298 VanDerWaalsContact O-N 3.1Å; F296-C298 PolarHBondContact O-N 3.48Å; C298-P300 WeakPolarHBondContact O-CD 3.22Å
299	M	96	Very high	97.1	Very high	24 Å²	24	43.1 Å²	43.1	12%	0.118	22%	0.224	C	C	.	.			trans	-63.2	122.6	-177.5	-83.8	176.7	174.6	0	0	111.9	I253 Q295 F296 E301 H302	I253-M299 HydrophobicContact CD1-SD 3.5Å; I253-M299 WeakPolarHBondContact CD1-SD 3.3Å; Q295-M299 PolarHBondContact O-N 2.92Å; F296-M299 HydrophobicContact CB-SD 4.43Å; F296-M299 HydrophobicContact CD1-CE 3.99Å; F296-M299 HydrophobicContact CD1-SD 3.78Å; F296-M299 HydrophobicContact CD2-CE 3.87Å; F296-M299 HydrophobicContact CD2-SD 4.48Å; F296-M299 HydrophobicContact CE1-CE 3.93Å; F296-M299 HydrophobicContact CE1-SD 4.12Å; F296-M299 HydrophobicContact CE2-CE 3.81Å; F296-M299 HydrophobicContact CG-CE 3.98Å; F296-M299 HydrophobicContact CG-SD 3.99Å; F296-M299 HydrophobicContact CZ-CE 3.84Å; F296-M299 PolarHBondContact O-N 3.33Å; M299-E301 VanDerWaalsContact CB-OE2 3.3Å; M299-E301 WeakPolarHBondContact CB-OE2 3.3Å; M299-E301 PolarHBondContact O-N 2.78Å; M299-H302 WeakPolarHBondContact O-CB 3.24Å; M299-H302 PolarHBondContact O-CD2 3.05Å; M299-H302 VanDerWaalsContact O-CD2 3.29Å; M299-H302 PolarHBondContact O-N 3.11Å
300	P	95.6	Very high	97.2	Very high	74 Å²	74	43.2 Å²	43.2	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.7	-24.9	178.1	26.8	-34.9	0	0	0	113.4	C298 H302 R303 Y347	C298-P300 WeakPolarHBondContact O-CD 3.22Å; P300-H302 PolarHBondContact O-N 2.83Å; P300-H302 VanDerWaalsContact O-N 3.16Å; P300-R303 VanDerWaalsContact O-CB 3.23Å; P300-R303 WeakPolarHBondContact O-CB 3.45Å; P300-R303 PolarHBondContact O-N 3.31Å; P300-Y347 HydrophobicContact CB-CE2 4.5Å
301	E	95.9	Very high	97.3	Very high	83 Å²	83	41.7 Å²	41.7	39%	0.388	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.1	-28.2	178.8	-61.5	83.2	174.3	0	0	112	M299 R303 D304 Y305	M299-E301 VanDerWaalsContact CB-OE2 3.3Å; M299-E301 WeakPolarHBondContact CB-OE2 3.3Å; M299-E301 PolarHBondContact O-N 2.78Å; E301-R303 PolarHBondContact O-N 2.7Å; E301-D304 PolarHBondContact O-N 3.3Å; E301-Y305 HydrophobicContact CB-CD2 4.32Å; E301-Y305 HydrophobicContact CB-CE2 3.64Å; E301-Y305 WeakPolarHBondContact O-CD2 3.27Å; E301-Y305 PolarHBondContact O-N 3.1Å
302	H	97.2	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.4	-21.4	173.8	-72.4	-41.6	0	0	0	113.5	F296 M299 P300 D304 F308 L348 K351	F296-H302 PolarHBondContact O-CD2 3.13Å; F296-H302 VanDerWaalsContact O-CD2 3.26Å; F296-H302 PolarHBondContact O-NE2 3.05Å; M299-H302 WeakPolarHBondContact O-CB 3.24Å; M299-H302 PolarHBondContact O-CD2 3.05Å; M299-H302 VanDerWaalsContact O-CD2 3.29Å; M299-H302 PolarHBondContact O-N 3.11Å; P300-H302 PolarHBondContact O-N 2.83Å; P300-H302 VanDerWaalsContact O-N 3.16Å; H302-D304 VanDerWaalsContact C-N 3.27Å; H302-D304 PolarHBondContact O-N 2.99Å; H302-F308 AromaticContact CE1-CD2 3.7Å; H302-L348 HydrophobicContact CB-CD2 3.79Å; H302-L348 HydrophobicContact CB-CG 3.89Å; H302-K351 PolarHBondContact O-NZ 3.46Å
303	R	96.6	Very high	97.2	Very high	165 Å²	165	35.3 Å²	35.3	62%	0.623	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-59.1	-41.4	174.1	179.4	176	-90.3	-175.8	-3.6	111.2	P300 E301 Y347 K351	P300-R303 VanDerWaalsContact O-CB 3.23Å; P300-R303 WeakPolarHBondContact O-CB 3.45Å; P300-R303 PolarHBondContact O-N 3.31Å; E301-R303 PolarHBondContact O-N 2.7Å; R303-Y347 HydrophobicContact CB-CD1 3.78Å; R303-Y347 HydrophobicContact CB-CE1 4.31Å; R303-Y347 HydrophobicContact CG-CD1 4.45Å; R303-K351 PolarHBondContact O-NZ 2.82Å
304	D	97.5	Very high	97	Very high	116 Å²	116	35.3 Å²	35.3	62%	0.62	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.1	-171.7	-57.8	-42.5	0	0	0	112.7	S248 E301 H302	S248-D304 VanDerWaalsContact CB-O 3.3Å; S248-D304 WeakPolarHBondContact CB-O 3.46Å; E301-D304 PolarHBondContact O-N 3.3Å; H302-D304 VanDerWaalsContact C-N 3.27Å; H302-D304 PolarHBondContact O-N 2.99Å
305	Y	97.9	Very high	96.9	Very high	33 Å²	33	37.9 Å²	37.9	13%	0.129	19%	0.186	C	C	.	.			trans	-88.5	154	177.6	-58.2	-23.5	0	0	0	112.8	P250 I253 E277 E301 K351	P250-Y305 HydrophobicContact CG-CD1 4.04Å; P250-Y305 HydrophobicContact CG-CE1 3.54Å; P250-Y305 HydrophobicContact CG-CE2 4.3Å; I253-Y305 HydrophobicContact CD1-CD2 4.38Å; I253-Y305 HydrophobicContact CD1-CE2 3.95Å; I253-Y305 HydrophobicContact CG1-CD2 3.87Å; I253-Y305 HydrophobicContact CG1-CE2 3.58Å; E277-Y305 PolarHBondContact OE2-OH 3.44Å; E301-Y305 HydrophobicContact CB-CD2 4.32Å; E301-Y305 HydrophobicContact CB-CE2 3.64Å; E301-Y305 WeakPolarHBondContact O-CD2 3.27Å; E301-Y305 PolarHBondContact O-N 3.1Å; Y305-K351 VanDerWaalsContact O-CD 3.28Å; Y305-K351 WeakPolarHBondContact O-CD 3.34Å; Y305-K351 VanDerWaalsContact O-CE 3.26Å; Y305-K351 WeakPolarHBondContact O-CE 3.49Å; Y305-K351 PolarHBondContact O-NZ 2.91Å
306	D	98	Very high	96.5	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	16%	0.162	C	C	.	.	S	Bend	trans	-95.7	-19.2	-176.7	-77.1	-30.3	0	0	0	113	K245 K247 S248 L251 K351 P352	K245-D306 WeakPolarHBondContact CE-OD1 3.3Å; K245-D306 IonicContact NZ-OD1 2.75Å; K245-D306 PolarHBondContact NZ-OD1 2.88Å; K245-D306 IonicContact NZ-OD2 3.53Å; K245-D306 WeakPolarHBondContact O-CB 3.32Å; K247-D306 WeakPolarHBondContact CA-OD2 3.45Å; K247-D306 PolarHBondContact N-OD2 2.87Å; S248-D306 PolarHBondContact N-OD2 3.44Å; S248-D306 PolarHBondContact OG-N 3.04Å; L251-D306 PolarHBondContact O-N 3.32Å; D306-K351 WeakPolarHBondContact O-CB 3.24Å; D306-P352 WeakPolarHBondContact O-CD 3.43Å
307	S	98.1	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	170.7	-179	64.5	0	0	0	0	113.6	L251 G252 Y276	L251-S307 PolarHBondContact O-N 3.21Å; L251-S307 PolarHBondContact O-OG 3.48Å; G252-S307 WeakPolarHBondContact CA-O 3.49Å; Y276-S307 WeakPolarHBondContact CE1-OG 2.98Å; Y276-S307 VanDerWaalsContact CZ-OG 3.3Å; Y276-S307 PolarHBondContact OH-OG 2.84Å
308	F	98.6	Very high	95.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.1	171.2	172	-106.7	0	0	0	110.7	I253 L255 H302 C310 F340 L348 P352 M354 F355	I253-F308 HydrophobicContact CB-CD2 4.35Å; I253-F308 HydrophobicContact CG2-CE2 4.49Å; L255-F308 HydrophobicContact CB-CE2 4.17Å; L255-F308 HydrophobicContact CB-CZ 4.2Å; L255-F308 HydrophobicContact CD2-CZ 4.42Å; H302-F308 AromaticContact CE1-CD2 3.7Å; F308-C310 HydrophobicContact CE1-CB 3.79Å; F308-C310 HydrophobicContact CZ-CB 3.9Å; F308-F340 AromaticContact CD1-CD1 3.99Å; F308-F340 HydrophobicContact CD1-CD1 3.99Å; F308-F340 AromaticContact CD1-CE1 3.9Å; F308-F340 HydrophobicContact CD1-CE1 3.9Å; F308-F340 AromaticContact CE1-CD1 3.76Å; F308-F340 HydrophobicContact CE1-CD1 3.76Å; F308-F340 AromaticContact CE1-CE1 3.31Å; F308-F340 HydrophobicContact CE1-CE1 3.31Å; F308-F340 HydrophobicContact CE1-CE2 4.42Å; F308-F340 HydrophobicContact CE1-CG 4.47Å; F308-F340 AromaticContact CE1-CZ 3.7Å; F308-F340 HydrophobicContact CE1-CZ 3.7Å; F308-F340 HydrophobicContact CE2-CE1 4.2Å; F308-F340 HydrophobicContact CZ-CD1 4.37Å; F308-F340 AromaticContact CZ-CE1 3.49Å; F308-F340 HydrophobicContact CZ-CE1 3.49Å; F308-F340 VanDerWaalsContact CZ-CE1 3.49Å; F308-F340 AromaticContact CZ-CZ 3.68Å; F308-F340 HydrophobicContact CZ-CZ 3.68Å; F308-L348 HydrophobicContact CB-CD1 3.58Å; F308-L348 HydrophobicContact CB-CD2 3.97Å; F308-L348 HydrophobicContact CB-CG 4.45Å; F308-L348 HydrophobicContact CD1-CD1 4.24Å; F308-L348 HydrophobicContact CG-CD1 3.87Å; F308-P352 PolarHBondContact N-O 3.35Å; F308-M354 WeakPolarHBondContact O-CE 3.46Å; F308-M354 PolarHBondContact O-N 3.18Å; F308-F355 HydrophobicContact CD1-CZ 4.46Å; F308-F355 HydrophobicContact CE1-CE1 4.27Å; F308-F355 AromaticContact CE1-CZ 3.96Å; F308-F355 HydrophobicContact CE1-CZ 3.96Å
309	V	98.5	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	174.7	177.8	0	0	0	0	109.6	I253 C254 L255 F271 Y276 V311 M354 F356	I253-V309 PolarHBondContact O-N 3.12Å; C254-V309 CarbonylContact C-O 3.59Å; C254-V309 WeakPolarHBondContact CA-O 3.23Å; C254-V309 HydrophobicContact CB-CB 4.16Å; L255-V309 PolarHBondContact N-O 3.28Å; F271-V309 HydrophobicContact CD1-CG1 4.29Å; F271-V309 HydrophobicContact CD1-CG2 4.38Å; F271-V309 HydrophobicContact CE1-CB 4.44Å; F271-V309 HydrophobicContact CE1-CG1 3.77Å; F271-V309 HydrophobicContact CE1-CG2 4.03Å; F271-V309 HydrophobicContact CE2-CG1 4.27Å; F271-V309 HydrophobicContact CZ-CG1 3.76Å; Y276-V309 HydrophobicContact CD1-CG2 4.09Å; Y276-V309 HydrophobicContact CE1-CB 4.35Å; Y276-V309 HydrophobicContact CE1-CG2 3.5Å; Y276-V309 VanDerWaalsContact CE1-CG2 3.5Å; Y276-V309 HydrophobicContact CE2-CG2 4.4Å; V309-V311 HydrophobicContact CG1-CG2 4.31Å; V309-M354 CarbonylContact C-O 3.54Å; V309-M354 WeakPolarHBondContact CA-O 3.49Å; V309-M354 HydrophobicContact CG2-CB 4.25Å; V309-M354 HydrophobicContact CG2-CE 3.58Å; V309-M354 HydrophobicContact CG2-SD 4.13Å; V309-F356 HydrophobicContact CG1-CD2 4.1Å; V309-F356 HydrophobicContact CG1-CE2 4.16Å
310	C	98.2	Very high	94.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.8	167.7	-175.4	0	0	0	0	109.5	L255 F308 M354 F355 F356	L255-C310 CarbonylContact O-C 3.6Å; L255-C310 VanDerWaalsContact O-CA 3.29Å; L255-C310 WeakPolarHBondContact O-CA 3.49Å; F308-C310 HydrophobicContact CE1-CB 3.79Å; F308-C310 HydrophobicContact CZ-CB 3.9Å; C310-M354 PolarHBondContact N-O 3.5Å; C310-F355 HydrophobicContact CB-CD1 3.54Å; C310-F355 HydrophobicContact CB-CE1 3.64Å; C310-F355 HydrophobicContact CB-CG 4.33Å; C310-F355 HydrophobicContact CB-CZ 4.49Å; C310-F355 CarbonylContact O-C 3.59Å; C310-F355 WeakPolarHBondContact O-CA 3.39Å; C310-F356 PolarHBondContact O-N 3.29Å
311	V	97.4	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.8	168.7	-176.9	0	0	0	0	107.7	L255 I256 I257 L267 F271 V309 V313 F356	L255-V311 PolarHBondContact O-N 3.46Å; I256-V311 WeakPolarHBondContact CA-O 3.37Å; I256-V311 HydrophobicContact CG1-CB 4.16Å; I256-V311 HydrophobicContact CG1-CG2 4.32Å; I256-V311 HydrophobicContact CG2-CB 4.39Å; I257-V311 PolarHBondContact N-O 3.19Å; L267-V311 HydrophobicContact CD1-CG1 3.74Å; L267-V311 HydrophobicContact CD1-CG2 4.46Å; F271-V311 HydrophobicContact CD2-CG2 4.49Å; F271-V311 HydrophobicContact CE2-CG2 3.84Å; V309-V311 HydrophobicContact CG1-CG2 4.31Å; V311-V313 HydrophobicContact CG1-CG2 4.19Å; V311-F356 CarbonylContact C-O 3.59Å; V311-F356 VanDerWaalsContact CA-O 3.29Å; V311-F356 WeakPolarHBondContact CA-O 3.49Å; V311-F356 HydrophobicContact CG2-CB 4.47Å
312	L	96.7	Very high	94.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.8	-179.6	178.4	61.9	0	0	0	109.9	I257 V321 I336 F356 I357 Q358	I257-L312 HydrophobicContact CB-CD1 3.76Å; I257-L312 HydrophobicContact CG2-CD1 3.6Å; I257-L312 WeakPolarHBondContact O-CA 3.42Å; L312-V321 HydrophobicContact CD2-CG1 3.93Å; L312-V321 HydrophobicContact CD2-CG2 4.14Å; L312-I336 HydrophobicContact CD2-CD1 3.71Å; L312-F356 PolarHBondContact N-O 2.96Å; L312-I357 HydrophobicContact CB-CG1 4.27Å; L312-I357 HydrophobicContact CB-CG2 4.37Å; L312-I357 HydrophobicContact CD2-CG2 4.43Å; L312-I357 HydrophobicContact CG-CG2 4.47Å; L312-I357 CarbonylContact O-C 3.56Å; L312-I357 VanDerWaalsContact O-CA 3.29Å; L312-I357 WeakPolarHBondContact O-CA 3.41Å; L312-Q358 PolarHBondContact O-N 3.09Å
313	V	95.5	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.2	179.4	-173.2	0	0	0	0	107.8	I257 D258 C259 I260 N262 E263 V311 Q358 Y360 L424	I257-V313 PolarHBondContact O-N 3.1Å; D258-V313 HydrophobicContact CB-CB 4.3Å; C259-V313 PolarHBondContact N-O 2.85Å; I260-V313 HydrophobicContact CB-CG1 4.46Å; I260-V313 HydrophobicContact CD1-CG1 4.01Å; N262-V313 WeakPolarHBondContact OD1-CG1 3.29Å; E263-V313 HydrophobicContact CB-CG2 4.46Å; V311-V313 HydrophobicContact CG1-CG2 4.19Å; V313-Q358 WeakPolarHBondContact CA-O 3.34Å; V313-Q358 HydrophobicContact CG1-CB 4.28Å; V313-Q358 HydrophobicContact CG1-CG 4.37Å; V313-Q358 HydrophobicContact CG2-CB 4.32Å; V313-Y360 HydrophobicContact CG1-CE2 4.39Å; V313-L424 HydrophobicContact CG2-CD1 3.63Å
314	S	94.6	Very high	93.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.1	-172.1	-174.8	0	0	0	0	112.2	G323 Q358 N359 Y360	S314-G323 WeakPolarHBondContact OG-CA 3.39Å; S314-G323 PolarHBondContact OG-N 2.69Å; S314-Q358 PolarHBondContact N-O 2.77Å; S314-N359 WeakPolarHBondContact O-CA 3.48Å; S314-N359 PolarHBondContact O-OD1 3.37Å; S314-Y360 PolarHBondContact O-N 2.65Å
315	R	93.6	Very high	93.4	Very high	77 Å²	77	22.9 Å²	22.9	29%	0.291	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	152.3	157	-63.6	-173.5	-179.5	77.8	1.9	109.2	I260 Y322 Y360 M410 L413	I260-R315 HydrophobicContact CD1-CG 4.39Å; I260-R315 HydrophobicContact CG1-CG 4.38Å; R315-Y322 HydrophobicContact CB-CD2 4.39Å; R315-Y322 PolarHBondContact O-N 2.89Å; R315-Y360 WeakPolarHBondContact CA-O 3.29Å; R315-M410 HydrophobicContact CB-CE 3.74Å; R315-M410 HydrophobicContact CB-SD 4.19Å; R315-M410 VanDerWaalsContact CD-SD 3.54Å; R315-M410 HydrophobicContact CG-CE 3.78Å; R315-M410 HydrophobicContact CG-SD 3.53Å; R315-M410 VanDerWaalsContact CG-SD 3.53Å; R315-L413 HydrophobicContact CG-CD1 4.01Å
316	G	91	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-176.2	-177.6	0	0	0	0	0	115.2	S320 Y322 N359 Y360	G316-S320 CarbonylContact C-O 3.58Å; G316-S320 VanDerWaalsContact CA-O 3.25Å; G316-S320 WeakPolarHBondContact CA-O 3.47Å; G316-Y322 VanDerWaalsContact CA-CD2 3.45Å; G316-Y322 VanDerWaalsContact CA-CE2 3.46Å; G316-Y322 WeakPolarHBondContact O-CE2 3.07Å; G316-N359 VanDerWaalsContact CA-OD1 3.22Å; G316-N359 WeakPolarHBondContact CA-OD1 3.46Å; G316-N359 PolarHBondContact N-OD1 2.93Å; G316-Y360 PolarHBondContact N-O 3Å
317	G	87.2	Confident	92.2	Very high	7 Å²	7	32 Å²	32	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-175.9	170.4	0	0	0	0	0	110.8	Q319 S320 Y322 N359	G317-Q319 PolarHBondContact O-N 2.74Å; G317-Q319 VanDerWaalsContact O-N 3.08Å; G317-S320 PolarHBondContact N-O 3.45Å; G317-Y322 VanDerWaalsContact CA-OH 3.29Å; G317-Y322 WeakPolarHBondContact CA-OH 3.37Å; G317-Y322 VanDerWaalsContact N-CZ 3.25Å; G317-Y322 PolarHBondContact N-OH 2.94Å; G317-N359 PolarHBondContact O-ND2 2.76Å
318	S	80.4	Confident	91.1	Very high	74 Å²	74	39.3 Å²	39.3	52%	0.517	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.3	-177.4	59.2	0	0	0	0	114.7
319	Q	81.5	Confident	90.4	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	25.5	-178.5	-67.5	-63.9	-54.5	0	0	112.6	G317 L333	G317-Q319 PolarHBondContact O-N 2.74Å; G317-Q319 VanDerWaalsContact O-N 3.08Å; Q319-L333 WeakPolarHBondContact O-CG 3.35Å; Q319-L333 PolarHBondContact O-N 3.42Å
320	S	89.7	Confident	89.9	Confident	19 Å²	19	44.2 Å²	44.2	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.2	-177.4	61.4	0	0	0	0	111.5	G316 G317 L331 N359	G316-S320 CarbonylContact C-O 3.58Å; G316-S320 VanDerWaalsContact CA-O 3.25Å; G316-S320 WeakPolarHBondContact CA-O 3.47Å; G317-S320 PolarHBondContact N-O 3.45Å; S320-L331 CarbonylContact C-O 3.49Å; S320-L331 VanDerWaalsContact CA-O 3.23Å; S320-L331 WeakPolarHBondContact CA-O 3.44Å; S320-L331 WeakPolarHBondContact CB-O 3.47Å; S320-N359 PolarHBondContact O-ND2 2.84Å
321	V	93.6	Very high	89.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.5	176.5	-65.9	0	0	0	0	110.7	I289 L312 G330 L331 L333 I336	I289-V321 HydrophobicContact CD1-CG2 4.44Å; L312-V321 HydrophobicContact CD2-CG1 3.93Å; L312-V321 HydrophobicContact CD2-CG2 4.14Å; V321-G330 CarbonylContact O-C 3.51Å; V321-G330 WeakPolarHBondContact O-CA 3.4Å; V321-L331 HydrophobicContact CG2-CB 3.98Å; V321-L331 HydrophobicContact CG2-CD2 4.32Å; V321-L331 HydrophobicContact CG2-CG 4.47Å; V321-L331 PolarHBondContact N-O 2.93Å; V321-L331 PolarHBondContact O-N 3.18Å; V321-L333 HydrophobicContact CG1-CD2 3.95Å; V321-I336 HydrophobicContact CG2-CD1 4.28Å
322	Y	93.9	Very high	89.2	Confident	36 Å²	36	46.9 Å²	46.9	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-11.9	-178.4	-51.9	-32.5	0	0	0	113.1	M286 R315 G316 G317 V324 D325 T327	M286-Y322 VanDerWaalsContact CG-C 3.49Å; M286-Y322 WeakPolarHBondContact CG-O 3.42Å; R315-Y322 HydrophobicContact CB-CD2 4.39Å; R315-Y322 PolarHBondContact O-N 2.89Å; G316-Y322 VanDerWaalsContact CA-CD2 3.45Å; G316-Y322 VanDerWaalsContact CA-CE2 3.46Å; G316-Y322 WeakPolarHBondContact O-CE2 3.07Å; G317-Y322 VanDerWaalsContact CA-OH 3.29Å; G317-Y322 WeakPolarHBondContact CA-OH 3.37Å; G317-Y322 VanDerWaalsContact N-CZ 3.25Å; G317-Y322 PolarHBondContact N-OH 2.94Å; Y322-V324 PolarHBondContact O-N 3.38Å; Y322-D325 WeakPolarHBondContact O-CB 3.15Å; Y322-D325 PolarHBondContact O-N 3.27Å; Y322-T327 HydrophobicContact CD1-CG2 4.22Å; Y322-T327 HydrophobicContact CG-CG2 4.47Å
323	G	92.7	Very high	88.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.1	-129.2	-166.6	0	0	0	0	0	110.7	L284 S314	L284-G323 CarbonylContact O-C 3.6Å; L284-G323 VanDerWaalsContact O-CA 3.27Å; L284-G323 WeakPolarHBondContact O-CA 3.39Å; S314-G323 WeakPolarHBondContact OG-CA 3.39Å; S314-G323 PolarHBondContact OG-N 2.69Å
324	V	92.9	Very high	88.5	Confident	58 Å²	58	53 Å²	53	35%	0.352	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.2	171.6	-58	0	0	0	0	113.9	C259 H283 L284 Y322	C259-V324 HydrophobicContact CB-CG1 4.35Å; H283-V324 HydrophobicContact CB-CG1 4.01Å; L284-V324 PolarHBondContact O-N 3.41Å; Y322-V324 PolarHBondContact O-N 3.38Å
325	D	91.2	Very high	88.2	Confident	59 Å²	59	56.5 Å²	56.5	32%	0.316	30%	0.298	S	S	.	.			trans	-72.5	137.6	-175.8	-61.4	-40	0	0	0	110.9	S285 M286 Y322 T327	S285-D325 VanDerWaalsContact CB-OD1 3.3Å; S285-D325 WeakPolarHBondContact CB-OD1 3.47Å; S285-D325 WeakPolarHBondContact CB-OD2 3.25Å; M286-D325 WeakPolarHBondContact CB-OD2 3.49Å; M286-D325 HydrophobicContact CG-CB 4.49Å; M286-D325 WeakPolarHBondContact CG-OD2 3.45Å; M286-D325 PolarHBondContact N-OD2 2.86Å; Y322-D325 WeakPolarHBondContact O-CB 3.15Å; Y322-D325 PolarHBondContact O-N 3.27Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 HydrophobicContact CB-CG2 4.02Å; D325-T327 PolarHBondContact O-N 3.49Å; D325-T327 VanDerWaalsContact O-N 3.12Å
326	Q	85.9	Confident	88.3	Confident	191 Å²	191	52.9 Å²	52.9	89%	0.893	28%	0.284	S	S	*	.			trans	-85.8	75.5	175.1	-62	-64.9	-21.4	0	0	109.2
327	T	83.8	Confident	88.2	Confident	44 Å²	44	54.3 Å²	54.3	27%	0.27	29%	0.289	S	S	.	.			trans	-138.1	158.5	-176.4	-174.9	0	0	0	0	112.5	M286 Y322 D325 S329	M286-T327 HydrophobicContact SD-CG2 3.62Å; Y322-T327 HydrophobicContact CD1-CG2 4.22Å; Y322-T327 HydrophobicContact CG-CG2 4.47Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 HydrophobicContact CB-CG2 4.02Å; D325-T327 PolarHBondContact O-N 3.49Å; D325-T327 VanDerWaalsContact O-N 3.12Å; T327-S329 PolarHBondContact OG1-N 3.34Å; T327-S329 VanDerWaalsContact OG1-N 3.13Å; T327-S329 PolarHBondContact OG1-OG 3.38Å
328	H	76.1	Confident	88.3	Confident	155 Å²	155	61.2 Å²	61.2	72%	0.718	31%	0.313	S	S	*	.	S	Bend	trans	-97.5	-15.5	170.4	-61	-54.2	0	0	0	112.7
329	S	83.7	Confident	89.1	Confident	89 Å²	89	59.4 Å²	59.4	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	-98.8	88.2	177	67	0	0	0	0	110.4	M286 T327	M286-S329 VanDerWaalsContact CE-O 3.29Å; M286-S329 WeakPolarHBondContact CE-O 3.45Å; T327-S329 PolarHBondContact OG1-N 3.34Å; T327-S329 VanDerWaalsContact OG1-N 3.13Å; T327-S329 PolarHBondContact OG1-OG 3.38Å
330	G	88.6	Confident	89.8	Confident	13 Å²	13	54.7 Å²	54.7	13%	0.134	28%	0.275	C	S	.	.			trans	-80.5	166.9	-178.4	0	0	0	0	0	115.1	M286 V321 P332	M286-G330 VanDerWaalsContact CE-C 3.45Å; V321-G330 CarbonylContact O-C 3.51Å; V321-G330 WeakPolarHBondContact O-CA 3.4Å; G330-P332 WeakPolarHBondContact O-CD 3.21Å
331	L	90.8	Very high	89.8	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	115.8	169.2	173.9	65.2	0	0	0	108.4	M286 I289 S320 V321 L333 H335 I336	M286-L331 HydrophobicContact CE-CB 4.14Å; I289-L331 HydrophobicContact CB-CD2 4.38Å; I289-L331 HydrophobicContact CG2-CD2 3.73Å; S320-L331 CarbonylContact C-O 3.49Å; S320-L331 VanDerWaalsContact CA-O 3.23Å; S320-L331 WeakPolarHBondContact CA-O 3.44Å; S320-L331 WeakPolarHBondContact CB-O 3.47Å; V321-L331 HydrophobicContact CG2-CB 3.98Å; V321-L331 HydrophobicContact CG2-CD2 4.32Å; V321-L331 HydrophobicContact CG2-CG 4.47Å; V321-L331 PolarHBondContact N-O 2.93Å; V321-L331 PolarHBondContact O-N 3.18Å; L331-L333 PolarHBondContact O-N 3.21Å; L331-H335 HydrophobicContact CD1-CB 4.25Å; L331-I336 HydrophobicContact CD2-CD1 4.12Å; L331-I336 HydrophobicContact CD2-CG1 3.95Å; L331-I336 HydrophobicContact CG-CG1 4.31Å
332	P	90	Very high	89.3	Confident	46 Å²	46	55.7 Å²	55.7	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.4	-177.4	-22.9	35.3	0	0	0	111.9	G330 H334 H335 I336	G330-P332 WeakPolarHBondContact O-CD 3.21Å; P332-H334 WeakPolarHBondContact CB-CE1 3.33Å; P332-H334 VanDerWaalsContact CB-ND1 3.32Å; P332-H334 WeakPolarHBondContact CB-ND1 3.49Å; P332-H334 PolarHBondContact O-N 3.02Å; P332-H335 HydrophobicContact CB-CB 4.49Å; P332-H335 VanDerWaalsContact O-CB 3.22Å; P332-H335 WeakPolarHBondContact O-CB 3.33Å; P332-H335 PolarHBondContact O-N 2.92Å; P332-I336 PolarHBondContact O-N 2.93Å
333	L	90.7	Very high	89.1	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-33	180	-72.4	-176	0	0	0	113.2	Q319 V321 L331 H335 I336 R337 I357 W403 L405	Q319-L333 WeakPolarHBondContact O-CG 3.35Å; Q319-L333 PolarHBondContact O-N 3.42Å; V321-L333 HydrophobicContact CG1-CD2 3.95Å; L331-L333 PolarHBondContact O-N 3.21Å; L333-H335 PolarHBondContact O-N 3.49Å; L333-I336 HydrophobicContact CD2-CD1 4.02Å; L333-I336 WeakPolarHBondContact O-CB 3.39Å; L333-I336 PolarHBondContact O-N 2.99Å; L333-R337 PolarHBondContact O-N 3.28Å; L333-R337 VanDerWaalsContact O-N 3.13Å; L333-I357 HydrophobicContact CD2-CD1 3.77Å; L333-W403 HydrophobicContact CB-CH2 4.28Å; L333-W403 HydrophobicContact CB-CZ2 3.72Å; L333-W403 HydrophobicContact CD1-CZ2 4.08Å; L333-W403 HydrophobicContact CD2-CH2 4.44Å; L333-W403 HydrophobicContact CD2-CZ2 3.98Å; L333-W403 HydrophobicContact CG-CZ2 4.12Å; L333-L405 HydrophobicContact CD1-CD1 3.98Å; L333-L405 HydrophobicContact CD1-CD2 3.82Å
334	H	85.8	Confident	89	Confident	128 Å²	128	58.9 Å²	58.9	59%	0.593	31%	0.306	S	S	*	.	H	α-helix	trans	-63.4	-29.9	175.3	75.6	-98.7	0	0	0	112.2	P332 R337 R338	P332-H334 WeakPolarHBondContact CB-CE1 3.33Å; P332-H334 VanDerWaalsContact CB-ND1 3.32Å; P332-H334 WeakPolarHBondContact CB-ND1 3.49Å; P332-H334 PolarHBondContact O-N 3.02Å; H334-R337 PolarHBondContact O-N 2.98Å; H334-R338 WeakPolarHBondContact O-CB 3.36Å; H334-R338 PolarHBondContact O-N 3.24Å
335	H	89.6	Confident	89.1	Confident	75 Å²	75	56.1 Å²	56.1	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-69.1	-40.6	177.6	-161.5	114.8	0	0	0	110.5	L331 P332 L333 R337 R338 M339	L331-H335 HydrophobicContact CD1-CB 4.25Å; P332-H335 HydrophobicContact CB-CB 4.49Å; P332-H335 VanDerWaalsContact O-CB 3.22Å; P332-H335 WeakPolarHBondContact O-CB 3.33Å; P332-H335 PolarHBondContact O-N 2.92Å; L333-H335 PolarHBondContact O-N 3.49Å; H335-R337 PolarHBondContact O-N 3.28Å; H335-R338 WeakPolarHBondContact O-CB 3.49Å; H335-R338 PolarHBondContact O-N 2.95Å; H335-M339 PolarHBondContact O-N 2.91Å
336	I	94.4	Very high	89.2	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-48.8	172.1	-59.4	179	0	0	0	109.9	L293 L312 V321 L331 P332 L333 R338 M339 F340 F355 W403	L293-I336 HydrophobicContact CD1-CB 4.28Å; L293-I336 HydrophobicContact CD1-CD1 3.99Å; L293-I336 HydrophobicContact CD1-CG1 3.73Å; L293-I336 HydrophobicContact CD1-CG2 3.86Å; L293-I336 HydrophobicContact CD2-CG2 4.43Å; L312-I336 HydrophobicContact CD2-CD1 3.71Å; V321-I336 HydrophobicContact CG2-CD1 4.28Å; L331-I336 HydrophobicContact CD2-CD1 4.12Å; L331-I336 HydrophobicContact CD2-CG1 3.95Å; L331-I336 HydrophobicContact CG-CG1 4.31Å; P332-I336 PolarHBondContact O-N 2.93Å; L333-I336 HydrophobicContact CD2-CD1 4.02Å; L333-I336 WeakPolarHBondContact O-CB 3.39Å; L333-I336 PolarHBondContact O-N 2.99Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 2.92Å; I336-M339 PolarHBondContact O-N 3.44Å; I336-F340 WeakPolarHBondContact O-CD2 3.34Å; I336-F355 HydrophobicContact CG2-CD1 4.17Å; I336-F355 HydrophobicContact CG2-CE1 3.77Å; I336-W403 HydrophobicContact CB-CH2 4.29Å; I336-W403 HydrophobicContact CG2-CH2 4.23Å; I336-W403 HydrophobicContact CG2-CZ3 4.44Å
337	R	89.9	Confident	89.7	Confident	31 Å²	31	51.4 Å²	51.4	12%	0.117	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-42.8	177.4	-173.6	-179.8	-72.1	-178.4	0.2	111.8	L333 H334 H335 M339 F340 M341 F401 W403 Q468	L333-R337 PolarHBondContact O-N 3.28Å; L333-R337 VanDerWaalsContact O-N 3.13Å; H334-R337 PolarHBondContact O-N 2.98Å; H335-R337 PolarHBondContact O-N 3.28Å; R337-M339 VanDerWaalsContact C-N 3.3Å; R337-M339 PolarHBondContact O-N 3.25Å; R337-F340 PolarHBondContact O-N 3.48Å; R337-F340 VanDerWaalsContact O-N 3.13Å; R337-M341 HydrophobicContact CG-CE 4.3Å; R337-M341 PolarHBondContact O-N 3.3Å; R337-F401 HydrophobicContact CG-CD1 4.06Å; R337-F401 HydrophobicContact CG-CE1 3.76Å; R337-F401 HydrophobicContact CG-CE2 4.45Å; R337-F401 HydrophobicContact CG-CZ 3.95Å; R337-F401 WeakPolarHBondContact O-CZ 3.41Å; R337-W403 HydrophobicContact CB-CZ3 4.18Å; R337-W403 VanDerWaalsContact NH2-CG 3.34Å; R337-Q468 VanDerWaalsContact CZ-OE1 3.31Å
338	R	90.2	Very high	90.3	Very high	153 Å²	153	49.3 Å²	49.3	58%	0.577	26%	0.255	S	S	*	.	H	α-helix	trans	-58.7	-36.9	-179.8	-169.5	-177.5	-130.8	-179.7	4.7	113.4	H334 H335 I336 F340 M341 S344	H334-R338 WeakPolarHBondContact O-CB 3.36Å; H334-R338 PolarHBondContact O-N 3.24Å; H335-R338 WeakPolarHBondContact O-CB 3.49Å; H335-R338 PolarHBondContact O-N 2.95Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 2.92Å; R338-F340 PolarHBondContact O-N 3.41Å; R338-M341 HydrophobicContact CG-SD 4.42Å; R338-M341 PolarHBondContact O-N 3.2Å; R338-S344 VanDerWaalsContact O-CB 3.31Å; R338-S344 WeakPolarHBondContact O-CB 3.41Å; R338-S344 PolarHBondContact O-OG 3.2Å
339	M	95.3	Very high	91.2	Very high	35 Å²	35	43.3 Å²	43.3	17%	0.172	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-28.2	178.4	-69.1	170.3	164.7	0	0	112.7	L293 A297 H335 I336 R337 S344	L293-M339 HydrophobicContact CB-SD 3.78Å; A297-M339 HydrophobicContact CB-CB 4.46Å; A297-M339 WeakPolarHBondContact CB-O 3.23Å; H335-M339 PolarHBondContact O-N 2.91Å; I336-M339 PolarHBondContact O-N 3.44Å; R337-M339 VanDerWaalsContact C-N 3.3Å; R337-M339 PolarHBondContact O-N 3.25Å; M339-S344 VanDerWaalsContact O-CB 3.29Å; M339-S344 WeakPolarHBondContact O-CB 3.46Å
340	F	96.2	Very high	91.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	8.3	-176.7	-67.4	-93.3	0	0	0	113.9	L293 A297 F308 I336 R337 R338 L348 K353 F355 F401	L293-F340 HydrophobicContact CB-CE2 4.32Å; L293-F340 HydrophobicContact CD2-CE2 4.01Å; L293-F340 HydrophobicContact CD2-CZ 4.3Å; A297-F340 HydrophobicContact CB-CD1 4.13Å; A297-F340 HydrophobicContact CB-CE1 3.86Å; A297-F340 HydrophobicContact CB-CE2 4.28Å; A297-F340 HydrophobicContact CB-CG 4.46Å; A297-F340 HydrophobicContact CB-CZ 3.94Å; F308-F340 AromaticContact CD1-CD1 3.99Å; F308-F340 HydrophobicContact CD1-CD1 3.99Å; F308-F340 AromaticContact CD1-CE1 3.9Å; F308-F340 HydrophobicContact CD1-CE1 3.9Å; F308-F340 AromaticContact CE1-CD1 3.76Å; F308-F340 HydrophobicContact CE1-CD1 3.76Å; F308-F340 AromaticContact CE1-CE1 3.31Å; F308-F340 HydrophobicContact CE1-CE1 3.31Å; F308-F340 HydrophobicContact CE1-CE2 4.42Å; F308-F340 HydrophobicContact CE1-CG 4.47Å; F308-F340 AromaticContact CE1-CZ 3.7Å; F308-F340 HydrophobicContact CE1-CZ 3.7Å; F308-F340 HydrophobicContact CE2-CE1 4.2Å; F308-F340 HydrophobicContact CZ-CD1 4.37Å; F308-F340 AromaticContact CZ-CE1 3.49Å; F308-F340 HydrophobicContact CZ-CE1 3.49Å; F308-F340 VanDerWaalsContact CZ-CE1 3.49Å; F308-F340 AromaticContact CZ-CZ 3.68Å; F308-F340 HydrophobicContact CZ-CZ 3.68Å; I336-F340 WeakPolarHBondContact O-CD2 3.34Å; R337-F340 PolarHBondContact O-N 3.48Å; R337-F340 VanDerWaalsContact O-N 3.13Å; R338-F340 PolarHBondContact O-N 3.41Å; F340-L348 HydrophobicContact CD1-CD1 4.08Å; F340-K353 HydrophobicContact CB-CD 4.12Å; F340-K353 WeakPolarHBondContact O-CD 3.39Å; F340-K353 WeakPolarHBondContact O-CE 3.31Å; F340-F355 HydrophobicContact CB-CZ 4.14Å; F340-F355 HydrophobicContact CD1-CZ 4.45Å; F340-F355 HydrophobicContact CD2-CE1 4.16Å; F340-F355 AromaticContact CD2-CZ 3.64Å; F340-F355 HydrophobicContact CD2-CZ 3.64Å; F340-F355 HydrophobicContact CE2-CE1 4.27Å; F340-F355 HydrophobicContact CE2-CZ 4.13Å; F340-F355 AromaticContact CG-CZ 3.83Å; F340-F355 HydrophobicContact CG-CZ 3.83Å; F340-F401 HydrophobicContact CB-CE1 3.97Å; F340-F401 HydrophobicContact CB-CZ 3.96Å; F340-F401 WeakPolarHBondContact O-CZ 3.29Å
341	M	90.4	Very high	92	Very high	17 Å²	17	41.4 Å²	41.4	8%	0.084	22%	0.216	C	C	.	.	S	Bend	trans	-64.9	154.5	174	-72.7	-176.9	176.8	0	0	110.8	R337 R338 D343 S344 C345 R397 E398 F401	R337-M341 HydrophobicContact CG-CE 4.3Å; R337-M341 PolarHBondContact O-N 3.3Å; R338-M341 HydrophobicContact CG-SD 4.42Å; R338-M341 PolarHBondContact O-N 3.2Å; M341-D343 WeakPolarHBondContact CB-OD1 3.21Å; M341-D343 PolarHBondContact O-N 2.98Å; M341-S344 PolarHBondContact O-N 2.77Å; M341-C345 PolarHBondContact O-N 2.91Å; M341-R397 CarbonylContact C-O 2.99Å; M341-R397 VanDerWaalsContact CA-O 3.28Å; M341-R397 WeakPolarHBondContact CA-O 3.13Å; M341-R397 HydrophobicContact CB-CB 4.39Å; M341-R397 WeakPolarHBondContact CB-O 3.35Å; M341-R397 HydrophobicContact SD-CG 4.34Å; M341-E398 VanDerWaalsContact CE-CD 3.43Å; M341-E398 HydrophobicContact CE-CG 3.59Å; M341-E398 HydrophobicContact CG-CG 4.46Å; M341-E398 HydrophobicContact SD-CG 3.92Å; M341-F401 HydrophobicContact CG-CE2 4.32Å; M341-F401 HydrophobicContact CG-CZ 4.31Å
342	G	84.2	Confident	92.3	Very high	22 Å²	22	40.9 Å²	40.9	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.7	-172.7	0	0	0	0	0	114.8	R397	G342-R397 PolarHBondContact N-O 3.06Å
343	D	88.1	Confident	92.7	Very high	59 Å²	59	38.8 Å²	38.8	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-37.3	171.3	54.7	-14.9	0	0	0	113.2	M341 R390	M341-D343 WeakPolarHBondContact CB-OD1 3.21Å; M341-D343 PolarHBondContact O-N 2.98Å; D343-R390 PolarHBondContact O-NH1 2.84Å; D343-R390 PolarHBondContact O-NH2 3.25Å
344	S	91.7	Very high	93.1	Very high	45 Å²	45	38.7 Å²	38.7	32%	0.315	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-35.5	176.7	-56.5	0	0	0	0	113.1	R338 M339 M341 P346	R338-S344 VanDerWaalsContact O-CB 3.31Å; R338-S344 WeakPolarHBondContact O-CB 3.41Å; R338-S344 PolarHBondContact O-OG 3.2Å; M339-S344 VanDerWaalsContact O-CB 3.29Å; M339-S344 WeakPolarHBondContact O-CB 3.46Å; M341-S344 PolarHBondContact O-N 2.77Å; S344-P346 WeakPolarHBondContact O-CD 3.5Å
345	C	94.6	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.			trans	-127.3	76.4	-176.3	-175.3	0	0	0	0	111	A297 M341 Y347 L348	A297-C345 PolarHBondContact O-SG 3.22Å; M341-C345 PolarHBondContact O-N 2.91Å; C345-Y347 VanDerWaalsContact C-N 3.26Å; C345-Y347 PolarHBondContact O-N 2.85Å; C345-L348 PolarHBondContact O-N 2.83Å
346	P	93.5	Very high	94	Very high	65 Å²	65	29 Å²	29	42%	0.422	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-64.7	-28	-174	-21.6	33.5	0	0	0	113.8	S344 L348 A349	S344-P346 WeakPolarHBondContact O-CD 3.5Å; P346-L348 PolarHBondContact O-N 2.86Å; P346-A349 VanDerWaalsContact O-CB 3.29Å; P346-A349 WeakPolarHBondContact O-CB 3.3Å; P346-A349 PolarHBondContact O-N 3.27Å; P346-A349 VanDerWaalsContact O-N 3.17Å
347	Y	96.7	Very high	94.1	Very high	86 Å²	86	29.1 Å²	29.1	34%	0.337	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-68.2	-20.8	-179.1	-63.8	-60.7	0	0	0	113.4	P300 R303 C345 K351	P300-Y347 HydrophobicContact CB-CE2 4.5Å; R303-Y347 HydrophobicContact CB-CD1 3.78Å; R303-Y347 HydrophobicContact CB-CE1 4.31Å; R303-Y347 HydrophobicContact CG-CD1 4.45Å; C345-Y347 VanDerWaalsContact C-N 3.26Å; C345-Y347 PolarHBondContact O-N 2.85Å; Y347-K351 WeakPolarHBondContact O-CE 3.4Å; Y347-K351 PolarHBondContact O-NZ 2.97Å; Y347-K351 VanDerWaalsContact O-NZ 3.16Å
348	L	97	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-104.5	9.9	174.4	-65.9	176.4	0	0	0	113.4	H302 F308 F340 C345 P346 G350 K351 K353	H302-L348 HydrophobicContact CB-CD2 3.79Å; H302-L348 HydrophobicContact CB-CG 3.89Å; F308-L348 HydrophobicContact CB-CD1 3.58Å; F308-L348 HydrophobicContact CB-CD2 3.97Å; F308-L348 HydrophobicContact CB-CG 4.45Å; F308-L348 HydrophobicContact CD1-CD1 4.24Å; F308-L348 HydrophobicContact CG-CD1 3.87Å; F340-L348 HydrophobicContact CD1-CD1 4.08Å; C345-L348 PolarHBondContact O-N 2.83Å; P346-L348 PolarHBondContact O-N 2.86Å; L348-G350 PolarHBondContact O-N 3.36Å; L348-K351 HydrophobicContact CD2-CB 4.48Å; L348-K351 HydrophobicContact CD2-CD 4.23Å; L348-K351 PolarHBondContact O-N 3.13Å; L348-K351 VanDerWaalsContact O-N 3.16Å; L348-K353 HydrophobicContact CB-CD 4.11Å; L348-K353 HydrophobicContact CB-CG 4.24Å; L348-K353 HydrophobicContact CD1-CG 4.31Å; L348-K353 PolarHBondContact O-NZ 3.24Å
349	A	93.4	Very high	94.6	Very high	29 Å²	29	20.3 Å²	20.3	24%	0.24	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	129.7	174.8	0	0	0	0	0	110.5	P346 K351	P346-A349 VanDerWaalsContact O-CB 3.29Å; P346-A349 WeakPolarHBondContact O-CB 3.3Å; P346-A349 PolarHBondContact O-N 3.27Å; P346-A349 VanDerWaalsContact O-N 3.17Å; A349-K351 PolarHBondContact O-N 3.32Å
350	G	91.5	Very high	94.6	Very high	24 Å²	24	18.8 Å²	18.8	25%	0.247	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-5.3	-177	0	0	0	0	0	115.6	L348 D400	L348-G350 PolarHBondContact O-N 3.36Å; G350-D400 WeakPolarHBondContact CA-OD2 3.47Å
351	K	97.5	Very high	94.3	Very high	39 Å²	39	20.1 Å²	20.1	17%	0.17	12%	0.122	C	C	.	.	S	Bend	trans	-105.1	145.9	-176.2	-59.6	-178.8	-172.4	175.7	0	111.2	H302 R303 Y305 D306 Y347 L348 A349 K353 D400	H302-K351 PolarHBondContact O-NZ 3.46Å; R303-K351 PolarHBondContact O-NZ 2.82Å; Y305-K351 VanDerWaalsContact O-CD 3.28Å; Y305-K351 WeakPolarHBondContact O-CD 3.34Å; Y305-K351 VanDerWaalsContact O-CE 3.26Å; Y305-K351 WeakPolarHBondContact O-CE 3.49Å; Y305-K351 PolarHBondContact O-NZ 2.91Å; D306-K351 WeakPolarHBondContact O-CB 3.24Å; Y347-K351 WeakPolarHBondContact O-CE 3.4Å; Y347-K351 PolarHBondContact O-NZ 2.97Å; Y347-K351 VanDerWaalsContact O-NZ 3.16Å; L348-K351 HydrophobicContact CD2-CB 4.48Å; L348-K351 HydrophobicContact CD2-CD 4.23Å; L348-K351 PolarHBondContact O-N 3.13Å; L348-K351 VanDerWaalsContact O-N 3.16Å; A349-K351 PolarHBondContact O-N 3.32Å; K351-K353 PolarHBondContact O-N 3.42Å; K351-K353 PolarHBondContact O-NZ 3.27Å; K351-D400 VanDerWaalsContact O-CB 3.27Å; K351-D400 WeakPolarHBondContact O-CB 3.33Å
352	P	97.9	Very high	94.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	15%	0.146	C	C	.	.			trans	-67.3	124.8	-179.8	28.2	-34.6	0	0	0	111.3	Y244 M246 D306 F308 M354 D400 L471 L475	Y244-P352 HydrophobicContact CD1-CG 4.22Å; Y244-P352 HydrophobicContact CD2-CB 4.45Å; Y244-P352 HydrophobicContact CG-CB 4.46Å; Y244-P352 HydrophobicContact CG-CG 4.13Å; M246-P352 HydrophobicContact SD-CG 4.27Å; D306-P352 WeakPolarHBondContact O-CD 3.43Å; F308-P352 PolarHBondContact N-O 3.35Å; P352-M354 HydrophobicContact CB-CE 4.46Å; P352-D400 CarbonylContact C-O 3.51Å; P352-D400 WeakPolarHBondContact CA-O 3.33Å; P352-L471 HydrophobicContact CB-CD2 4.41Å; P352-L475 HydrophobicContact CB-CD1 3.76Å; P352-L475 HydrophobicContact CB-CD2 3.89Å; P352-L475 HydrophobicContact CB-CG 4.47Å; P352-L475 HydrophobicContact CG-CD1 3.71Å
353	K	98.3	Very high	93.4	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.1	178.4	-65.3	167.2	-69.3	-64	0	108.9	F340 L348 K351 F355 A399 D400 F401 F402	F340-K353 HydrophobicContact CB-CD 4.12Å; F340-K353 WeakPolarHBondContact O-CD 3.39Å; F340-K353 WeakPolarHBondContact O-CE 3.31Å; L348-K353 HydrophobicContact CB-CD 4.11Å; L348-K353 HydrophobicContact CB-CG 4.24Å; L348-K353 HydrophobicContact CD1-CG 4.31Å; L348-K353 PolarHBondContact O-NZ 3.24Å; K351-K353 PolarHBondContact O-N 3.42Å; K351-K353 PolarHBondContact O-NZ 3.27Å; K353-F355 HydrophobicContact CB-CE2 4.1Å; K353-A399 PolarHBondContact NZ-O 2.91Å; K353-A399 VanDerWaalsContact NZ-O 3.07Å; K353-D400 PolarHBondContact N-O 3.1Å; K353-F401 HydrophobicContact CB-CD1 3.99Å; K353-F401 HydrophobicContact CB-CE1 4.15Å; K353-F401 HydrophobicContact CB-CG 4.47Å; K353-F401 HydrophobicContact CD-CE1 4.07Å; K353-F401 HydrophobicContact CD-CE2 4.18Å; K353-F401 HydrophobicContact CD-CZ 3.88Å; K353-F401 VanDerWaalsContact CE-CZ 3.44Å; K353-F401 WeakPolarHBondContact O-CA 3.37Å; K353-F402 PolarHBondContact O-N 3.01Å
354	M	98.4	Very high	91.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	-172.3	-66.5	157.4	-81.7	0	0	110.8	Y276 F308 V309 C310 P352 F356 F402 L439 L475 L477	Y276-M354 WeakPolarHBondContact OH-CE 3.34Å; F308-M354 WeakPolarHBondContact O-CE 3.46Å; F308-M354 PolarHBondContact O-N 3.18Å; V309-M354 CarbonylContact C-O 3.54Å; V309-M354 WeakPolarHBondContact CA-O 3.49Å; V309-M354 HydrophobicContact CG2-CB 4.25Å; V309-M354 HydrophobicContact CG2-CE 3.58Å; V309-M354 HydrophobicContact CG2-SD 4.13Å; C310-M354 PolarHBondContact N-O 3.5Å; P352-M354 HydrophobicContact CB-CE 4.46Å; M354-F356 HydrophobicContact CB-CE2 3.92Å; M354-F356 HydrophobicContact CB-CZ 4.39Å; M354-F402 CarbonylContact C-O 3.32Å; M354-F402 WeakPolarHBondContact CA-O 3.23Å; M354-F402 HydrophobicContact CG-CB 3.99Å; M354-F402 HydrophobicContact CG-CD1 4.48Å; M354-F402 HydrophobicContact CG-CG 4.49Å; M354-L439 HydrophobicContact CG-CD2 4.02Å; M354-L439 HydrophobicContact SD-CD2 3.8Å; M354-L475 HydrophobicContact CG-CD2 4.09Å; M354-L475 HydrophobicContact SD-CD2 3.87Å; M354-L477 HydrophobicContact CE-CD2 3.98Å; M354-L477 HydrophobicContact SD-CD1 4.04Å; M354-L477 HydrophobicContact SD-CD2 3.47Å; M354-L477 WeakPolarHBondContact SD-CD2 3.5Å; M354-L477 HydrophobicContact SD-CG 4.39Å
355	F	97.9	Very high	89.2	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.7	176.2	-67.4	-97	0	0	0	109.2	F308 C310 I336 F340 K353 I357 F401 F402 W403 S404	F308-F355 HydrophobicContact CD1-CZ 4.46Å; F308-F355 HydrophobicContact CE1-CE1 4.27Å; F308-F355 AromaticContact CE1-CZ 3.96Å; F308-F355 HydrophobicContact CE1-CZ 3.96Å; C310-F355 HydrophobicContact CB-CD1 3.54Å; C310-F355 HydrophobicContact CB-CE1 3.64Å; C310-F355 HydrophobicContact CB-CG 4.33Å; C310-F355 HydrophobicContact CB-CZ 4.49Å; C310-F355 CarbonylContact O-C 3.59Å; C310-F355 WeakPolarHBondContact O-CA 3.39Å; I336-F355 HydrophobicContact CG2-CD1 4.17Å; I336-F355 HydrophobicContact CG2-CE1 3.77Å; F340-F355 HydrophobicContact CB-CZ 4.14Å; F340-F355 HydrophobicContact CD1-CZ 4.45Å; F340-F355 HydrophobicContact CD2-CE1 4.16Å; F340-F355 AromaticContact CD2-CZ 3.64Å; F340-F355 HydrophobicContact CD2-CZ 3.64Å; F340-F355 HydrophobicContact CE2-CE1 4.27Å; F340-F355 HydrophobicContact CE2-CZ 4.13Å; F340-F355 AromaticContact CG-CZ 3.83Å; F340-F355 HydrophobicContact CG-CZ 3.83Å; K353-F355 HydrophobicContact CB-CE2 4.1Å; F355-I357 HydrophobicContact CB-CG1 4.5Å; F355-F401 HydrophobicContact CD2-CD1 4.09Å; F355-F401 HydrophobicContact CD2-CE1 4.41Å; F355-F401 AromaticContact CE2-CD1 3.74Å; F355-F401 HydrophobicContact CE2-CD1 3.74Å; F355-F401 AromaticContact CE2-CE1 3.64Å; F355-F401 HydrophobicContact CE2-CE1 3.64Å; F355-F401 HydrophobicContact CZ-CE1 4.36Å; F355-F402 PolarHBondContact N-O 3.04Å; F355-W403 HydrophobicContact CB-CD2 4.12Å; F355-W403 HydrophobicContact CB-CE3 3.51Å; F355-W403 HydrophobicContact CB-CZ3 3.74Å; F355-W403 HydrophobicContact CD1-CE3 4.34Å; F355-W403 HydrophobicContact CD1-CH2 4.46Å; F355-W403 AromaticContact CD1-CZ3 3.76Å; F355-W403 HydrophobicContact CD1-CZ3 3.76Å; F355-W403 AromaticContact CD2-CE3 3.81Å; F355-W403 HydrophobicContact CD2-CE3 3.81Å; F355-W403 AromaticContact CD2-CZ3 3.91Å; F355-W403 HydrophobicContact CD2-CZ3 3.91Å; F355-W403 HydrophobicContact CE1-CZ3 4.37Å; F355-W403 HydrophobicContact CE2-CZ3 4.5Å; F355-W403 AromaticContact CG-CE3 3.63Å; F355-W403 HydrophobicContact CG-CE3 3.63Å; F355-W403 HydrophobicContact CG-CH2 4.49Å; F355-W403 AromaticContact CG-CZ3 3.51Å; F355-W403 HydrophobicContact CG-CZ3 3.51Å; F355-S404 PolarHBondContact O-N 3.23Å
356	F	97.4	Very high	86.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.5	173.9	-58.8	-80.6	0	0	0	108.5	F271 V309 C310 V311 L312 M354 F402 S404 L427 L439	F271-F356 HydrophobicContact CZ-CD2 4.19Å; F271-F356 AromaticContact CZ-CE2 3.99Å; F271-F356 HydrophobicContact CZ-CE2 3.99Å; V309-F356 HydrophobicContact CG1-CD2 4.1Å; V309-F356 HydrophobicContact CG1-CE2 4.16Å; C310-F356 PolarHBondContact O-N 3.29Å; V311-F356 CarbonylContact C-O 3.59Å; V311-F356 VanDerWaalsContact CA-O 3.29Å; V311-F356 WeakPolarHBondContact CA-O 3.49Å; V311-F356 HydrophobicContact CG2-CB 4.47Å; L312-F356 PolarHBondContact N-O 2.96Å; M354-F356 HydrophobicContact CB-CE2 3.92Å; M354-F356 HydrophobicContact CB-CZ 4.39Å; F356-F402 HydrophobicContact CD1-CE1 4.48Å; F356-F402 HydrophobicContact CE1-CD1 4.24Å; F356-F402 AromaticContact CE1-CE1 3.69Å; F356-F402 HydrophobicContact CE1-CE1 3.69Å; F356-F402 HydrophobicContact CZ-CD1 4.36Å; F356-F402 HydrophobicContact CZ-CE1 4.14Å; F356-S404 CarbonylContact C-O 3.59Å; F356-S404 WeakPolarHBondContact CA-O 3.38Å; F356-L427 HydrophobicContact CB-CD2 4Å; F356-L427 HydrophobicContact CD1-CD1 4.11Å; F356-L427 HydrophobicContact CD1-CD2 3.46Å; F356-L427 VanDerWaalsContact CD1-CD2 3.46Å; F356-L427 HydrophobicContact CD1-CG 4.45Å; F356-L427 HydrophobicContact CD2-CD2 4.31Å; F356-L427 HydrophobicContact CE1-CD1 3.78Å; F356-L427 HydrophobicContact CE1-CD2 3.94Å; F356-L427 HydrophobicContact CG-CD2 3.67Å; F356-L427 HydrophobicContact CZ-CD1 4.37Å; F356-L439 HydrophobicContact CZ-CD1 4.11Å; F356-L439 HydrophobicContact CZ-CD2 4.15Å
357	I	96.4	Very high	83.2	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.1	-171.3	-52.4	-174.7	0	0	0	108.7	L312 L333 F355 W403 S404 L405 C406	L312-I357 HydrophobicContact CB-CG1 4.27Å; L312-I357 HydrophobicContact CB-CG2 4.37Å; L312-I357 HydrophobicContact CD2-CG2 4.43Å; L312-I357 HydrophobicContact CG-CG2 4.47Å; L312-I357 CarbonylContact O-C 3.56Å; L312-I357 VanDerWaalsContact O-CA 3.29Å; L312-I357 WeakPolarHBondContact O-CA 3.41Å; L333-I357 HydrophobicContact CD2-CD1 3.77Å; F355-I357 HydrophobicContact CB-CG1 4.5Å; I357-W403 HydrophobicContact CD1-CD2 4.49Å; I357-W403 HydrophobicContact CD1-CH2 3.5Å; I357-W403 VanDerWaalsContact CD1-CH2 3.5Å; I357-W403 HydrophobicContact CD1-CZ2 3.1Å; I357-W403 HydrophobicContact CD1-CZ3 4.32Å; I357-W403 HydrophobicContact CG1-CZ2 4.43Å; I357-S404 PolarHBondContact N-O 2.92Å; I357-L405 HydrophobicContact CB-CD1 3.81Å; I357-L405 HydrophobicContact CG2-CD1 3.63Å; I357-C406 PolarHBondContact O-N 2.89Å
358	Q	95.9	Very high	79.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.7	165.2	176.3	64.1	70.3	0	0	107.8	L312 V313 S314 Y360 C406 S421 Y423 L424	L312-Q358 PolarHBondContact O-N 3.09Å; V313-Q358 WeakPolarHBondContact CA-O 3.34Å; V313-Q358 HydrophobicContact CG1-CB 4.28Å; V313-Q358 HydrophobicContact CG1-CG 4.37Å; V313-Q358 HydrophobicContact CG2-CB 4.32Å; S314-Q358 PolarHBondContact N-O 2.77Å; Q358-Y360 HydrophobicContact CG-CD2 4.09Å; Q358-Y360 HydrophobicContact CG-CE2 3.41Å; Q358-Y360 VanDerWaalsContact CG-CE2 3.41Å; Q358-C406 PolarHBondContact NE2-O 2.8Å; Q358-S421 VanDerWaalsContact OE1-CB 3.31Å; Q358-S421 PolarHBondContact OE1-OG 2.8Å; Q358-Y423 HydrophobicContact CB-CD1 4.47Å; Q358-L424 HydrophobicContact CB-CD1 4.08Å; Q358-L424 HydrophobicContact CB-CD2 4.34Å; Q358-L424 HydrophobicContact CB-CG 4.26Å
359	N	94.4	Very high	76.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-179.2	-161.7	10	0	0	0	110.1	S314 G316 G317 S320 L405 C406 T407 A408	S314-N359 WeakPolarHBondContact O-CA 3.48Å; S314-N359 PolarHBondContact O-OD1 3.37Å; G316-N359 VanDerWaalsContact CA-OD1 3.22Å; G316-N359 WeakPolarHBondContact CA-OD1 3.46Å; G316-N359 PolarHBondContact N-OD1 2.93Å; G317-N359 PolarHBondContact O-ND2 2.76Å; S320-N359 PolarHBondContact O-ND2 2.84Å; N359-L405 HydrophobicContact CB-CD1 3.97Å; N359-C406 PolarHBondContact N-O 2.96Å; N359-T407 CarbonylContact O-C 3.58Å; N359-T407 WeakPolarHBondContact O-CA 3.45Å; N359-A408 PolarHBondContact O-N 2.84Å
360	Y	94	Very high	73.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.3	174.7	-67.9	-93.3	0	0	0	109.3	I260 N262 V313 S314 R315 G316 Q358 A408 M410 L412 L413	I260-Y360 HydrophobicContact CD1-CD2 3.18Å; I260-Y360 HydrophobicContact CD1-CE2 3.48Å; I260-Y360 VanDerWaalsContact CD1-CE2 3.48Å; I260-Y360 HydrophobicContact CD1-CG 4.13Å; N262-Y360 PolarHBondContact ND2-OH 2.97Å; N262-Y360 VanDerWaalsContact ND2-OH 3.13Å; V313-Y360 HydrophobicContact CG1-CE2 4.39Å; S314-Y360 PolarHBondContact O-N 2.65Å; R315-Y360 WeakPolarHBondContact CA-O 3.29Å; G316-Y360 PolarHBondContact N-O 3Å; Q358-Y360 HydrophobicContact CG-CD2 4.09Å; Q358-Y360 HydrophobicContact CG-CE2 3.41Å; Q358-Y360 VanDerWaalsContact CG-CE2 3.41Å; Y360-A408 CarbonylContact C-O 3.6Å; Y360-A408 VanDerWaalsContact CA-O 3.31Å; Y360-A408 WeakPolarHBondContact CA-O 3.33Å; Y360-A408 HydrophobicContact CD1-CB 4.07Å; Y360-A408 HydrophobicContact CE1-CB 4.06Å; Y360-M410 WeakPolarHBondContact O-CE 3.43Å; Y360-L412 HydrophobicContact CE1-CB 4.28Å; Y360-L413 HydrophobicContact CD1-CD1 4.08Å; Y360-L413 HydrophobicContact CD1-CD2 3.8Å; Y360-L413 HydrophobicContact CD1-CG 3.65Å; Y360-L413 HydrophobicContact CD2-CD1 4.01Å; Y360-L413 HydrophobicContact CD2-CD2 4.11Å; Y360-L413 HydrophobicContact CD2-CG 4.29Å; Y360-L413 HydrophobicContact CE1-CD2 3.56Å; Y360-L413 HydrophobicContact CE1-CG 3.93Å; Y360-L413 HydrophobicContact CE2-CD2 3.85Å; Y360-L413 HydrophobicContact CG-CD1 3.7Å; Y360-L413 HydrophobicContact CG-CD2 4.05Å; Y360-L413 HydrophobicContact CG-CG 3.82Å
361	V	91.9	Very high	70.6	Confident	28 Å²	28	63.2 Å²	63.2	17%	0.17	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	-169.6	-173.5	0	0	0	0	109.4	S363 T407 A408 D409 M410	V361-S363 PolarHBondContact O-N 3.46Å; V361-T407 HydrophobicContact CB-CG2 4.07Å; V361-T407 HydrophobicContact CG2-CG2 3.57Å; V361-A408 PolarHBondContact N-O 3.2Å; V361-D409 CarbonylContact O-C 3.52Å; V361-D409 WeakPolarHBondContact O-CA 3.35Å; V361-M410 PolarHBondContact O-N 3.24Å
362	V	84.8	Confident	67.4	Low	95 Å²	95	69.3 Å²	69.3	58%	0.576	39%	0.39	S	S	*	.			trans	-74.4	124.1	174.6	-177.8	0	0	0	0	108.9	E364 M410	V362-E364 PolarHBondContact O-N 3.22Å; V362-M410 HydrophobicContact CG2-CB 4.19Å; V362-M410 HydrophobicContact CG2-CE 4.2Å; V362-M410 HydrophobicContact CG2-CG 4.47Å
363	S	69.3	Low	64.2	Low	65 Å²	65	76.1 Å²	76.1	46%	0.455	43%	0.425	S	S	.	.			trans	-61.6	127.9	170.7	-77.2	0	0	0	0	110.6	V361 G365 D409	V361-S363 PolarHBondContact O-N 3.46Å; S363-G365 VanDerWaalsContact C-N 3.31Å; S363-G365 PolarHBondContact O-N 3.45Å; S363-D409 WeakPolarHBondContact CB-OD2 3.17Å; S363-D409 PolarHBondContact N-OD2 2.93Å; S363-D409 PolarHBondContact OG-OD2 3.19Å
364	E	52.8	Low	61.2	Low	182 Å²	182	84.9 Å²	84.9	85%	0.85	47%	0.466	S	S	*	.	S	Bend	trans	-61.9	89.6	173.9	-71	174.9	-170.7	0	0	109.7	V362	V362-E364 PolarHBondContact O-N 3.22Å
365	G	39.3	Very low	58.2	Low	65 Å²	65	91.3 Å²	91.3	67%	0.67	51%	0.505	S	S	*	.	S	Bend	trans	-157.5	-5.4	178.8	0	0	0	0	0	115.8	S363	S363-G365 VanDerWaalsContact C-N 3.31Å; S363-G365 PolarHBondContact O-N 3.45Å
366	Q	28.9	Very low	55.1	Low	186 Å²	186	99 Å²	99	87%	0.869	55%	0.546	S	S	*	.	S	Bend	trans	-151.3	53.5	179.5	-72.4	-160.3	-36.3	0	0	113.9
367	L	33.8	Very low	52.1	Low	125 Å²	125	101.9 Å²	101.9	65%	0.654	58%	0.576	S	S	*	*			trans	-136.9	83	163.7	-114.8	136.2	0	0	0	110.2
368	E	26.2	Very low	49	Very low	187 Å²	187	107.5 Å²	107.5	87%	0.874	61%	0.613	S	S	*	*			trans	-60.3	136.5	145.5	-63.9	-178.2	156.8	0	0	108
369	D	27.9	Very low	45.9	Very low	167 Å²	167	112.3 Å²	112.3	89%	0.893	65%	0.653	S	S	*	*			trans	48.1	89.4	159.1	-106.6	-5.2	0	0	0	117.3
370	S	32	Very low	42.9	Very low	92 Å²	92	120 Å²	120	64%	0.643	69%	0.691	S	S	*	*			trans	-147.3	116.9	144.6	-161.1	0	0	0	0	110.9
371	S	28.4	Very low	39.7	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	73%	0.73	S	S	*	*			trans	-44.1	131.6	179.5	50.9	0	0	0	0	113.7	L373	S371-L373 PolarHBondContact O-N 3.48Å
372	L	28.3	Very low	36.6	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	76%	0.762	S	S	*	*			trans	-48.6	99.4	155.9	-84.3	148.6	0	0	0	109.9
373	L	31.4	Very low	34	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	77%	0.77	S	S	*	*			trans	-109.9	94.5	160.3	-70.1	175.2	0	0	0	106.8	S371 V375	S371-L373 PolarHBondContact O-N 3.48Å; L373-V375 PolarHBondContact O-N 3.23Å
374	E	35.3	Very low	31.8	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	79%	0.787	S	S	*	*			trans	-67	120.2	160.8	-79.8	-175.8	145	0	0	108
375	V	36.4	Very low	30.7	Very low	134 Å²	134	141.4 Å²	141.4	81%	0.812	78%	0.783	S	S	*	*			trans	-96.8	119.4	169.1	176.6	0	0	0	0	107.1	L373 G377	L373-V375 PolarHBondContact O-N 3.23Å; V375-G377 PolarHBondContact O-N 3.15Å
376	D	31.2	Very low	30.1	Very low	162 Å²	162	146.9 Å²	146.9	87%	0.866	79%	0.788	S	S	*	*			trans	-54.5	104.3	173.4	-80.6	-36.4	0	0	0	110.8
377	G	36.3	Very low	30	Very low	61 Å²	61	142.9 Å²	142.9	63%	0.629	79%	0.787	S	S	*	*			trans	-74	137.7	165.7	0	0	0	0	0	109.8	V375 A379	V375-G377 PolarHBondContact O-N 3.15Å; G377-A379 PolarHBondContact O-N 3.45Å
378	P	31.4	Very low	29.8	Very low	121 Å²	121	144.4 Å²	144.4	79%	0.786	79%	0.791	S	S	*	*			trans	-66.9	134.1	-175.4	28.7	-32.5	0	0	0	109.7	M380	P378-M380 PolarHBondContact O-N 3.28Å
379	A	28.9	Very low	29.9	Very low	101 Å²	101	145.6 Å²	145.6	84%	0.835	79%	0.793	S	S	*	*			trans	-55.1	102.7	169.8	0	0	0	0	0	109.5	G377 K381	G377-A379 PolarHBondContact O-N 3.45Å; A379-K381 PolarHBondContact O-N 3.4Å
380	M	32.3	Very low	30.1	Very low	162 Å²	162	144.8 Å²	144.8	80%	0.798	78%	0.778	S	S	*	*			trans	-63.6	121.3	169.1	-89.5	-159.5	-173.2	0	0	108.1	P378 N382	P378-M380 PolarHBondContact O-N 3.28Å; M380-N382 PolarHBondContact O-N 2.87Å
381	K	26.8	Very low	30.2	Very low	193 Å²	193	143.5 Å²	143.5	84%	0.839	78%	0.779	S	S	*	*			trans	-50.2	124.1	174.5	-70.5	176.3	177.1	176.5	0	109.1	A379 V383	A379-K381 PolarHBondContact O-N 3.4Å; K381-V383 PolarHBondContact O-N 3.41Å
382	N	26.3	Very low	30.4	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	79%	0.792	S	S	*	*			trans	-45.1	106.3	166.2	-72.9	-38.4	0	0	0	108.8	M380 E384	M380-N382 PolarHBondContact O-N 2.87Å; N382-E384 PolarHBondContact O-N 2.83Å; N382-E384 VanDerWaalsContact O-N 3.09Å
383	V	30.8	Very low	30.8	Very low	122 Å²	122	143.3 Å²	143.3	74%	0.739	78%	0.777	S	S	*	*			trans	-69.8	106.1	163.4	179.1	0	0	0	0	104.7	K381 F385	K381-V383 PolarHBondContact O-N 3.41Å; V383-F385 PolarHBondContact O-N 3.47Å
384	E	24.1	Very low	32.2	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.813	78%	0.781	S	S	*	*			trans	-52.5	103	171	-76.1	179.8	153.7	0	0	108.8	N382 K386	N382-E384 PolarHBondContact O-N 2.83Å; N382-E384 VanDerWaalsContact O-N 3.09Å; E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 3.21Å
385	F	28.7	Very low	33.5	Very low	175 Å²	175	135.8 Å²	135.8	77%	0.768	75%	0.75	S	S	*	*			trans	-66.5	99.7	161.7	-82.1	-86.6	0	0	0	106.7	V383 A387	V383-F385 PolarHBondContact O-N 3.47Å; F385-A387 PolarHBondContact O-N 3.44Å
386	K	26.2	Very low	35.5	Very low	179 Å²	179	135 Å²	135	78%	0.778	74%	0.737	S	S	*	*			trans	-50.5	117.5	164.2	-78	-175.5	176.1	177.7	0	107.2	E384 Q388	E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 3.21Å; K386-Q388 PolarHBondContact O-N 3.09Å
387	A	28.4	Very low	37.9	Very low	103 Å²	103	133.4 Å²	133.4	85%	0.851	72%	0.719	S	S	*	*			trans	-63	80.2	172.9	0	0	0	0	0	109.2	F385 K389	F385-A387 PolarHBondContact O-N 3.44Å; A387-K389 PolarHBondContact O-N 3.48Å
388	Q	29.5	Very low	40.1	Very low	156 Å²	156	133.5 Å²	133.5	73%	0.729	70%	0.703	S	S	*	*			trans	-69.5	117.5	165	-145.2	98.8	-1.3	0	0	105.7	K386 R390	K386-Q388 PolarHBondContact O-N 3.09Å; Q388-R390 WeakPolarHBondContact O-CG 3.3Å; Q388-R390 PolarHBondContact O-N 2.75Å
389	K	28.1	Very low	42.5	Very low	212 Å²	212	128.2 Å²	128.2	92%	0.922	67%	0.67	S	S	*	*			trans	-40	100.8	175.4	-72	177.3	175.8	178.1	0	110.5	A387	A387-K389 PolarHBondContact O-N 3.48Å
390	R	31.4	Very low	45.6	Very low	150 Å²	150	123.5 Å²	123.5	57%	0.566	63%	0.63	S	S	*	*			trans	-86.4	115.9	178.4	-80.6	-176.7	177.4	172	-4.3	108.5	D343 Q388	D343-R390 PolarHBondContact O-NH1 2.84Å; D343-R390 PolarHBondContact O-NH2 3.25Å; Q388-R390 WeakPolarHBondContact O-CG 3.3Å; Q388-R390 PolarHBondContact O-N 2.75Å
391	G	35.2	Very low	48.6	Very low	66 Å²	66	115.9 Å²	115.9	68%	0.68	59%	0.593	S	S	*	*			trans	-54	148.3	166.6	0	0	0	0	0	110.1	C393	G391-C393 PolarHBondContact O-N 2.93Å
392	L	30.9	Very low	51.9	Low	168 Å²	168	106.7 Å²	106.7	88%	0.88	55%	0.553	S	S	*	*			trans	-47.7	98.2	-179.1	-78.5	93.2	0	0	0	110.8	T394	L392-T394 PolarHBondContact O-N 2.96Å
393	C	38	Very low	55.1	Low	84 Å²	84	99.4 Å²	99.4	57%	0.568	51%	0.514	S	S	*	.			trans	-82.9	105.6	160.7	-160.1	0	0	0	0	105.3	G391 V395	G391-C393 PolarHBondContact O-N 2.93Å; C393-V395 PolarHBondContact O-N 3.23Å; C393-V395 VanDerWaalsContact O-N 3.13Å
394	T	60.4	Low	58.2	Low	135 Å²	135	93.6 Å²	93.6	83%	0.828	48%	0.478	S	S	*	.			trans	-67.9	-3.3	179.3	28.8	0	0	0	0	113.4	L392	L392-T394 PolarHBondContact O-N 2.96Å
395	V	62.2	Low	61.6	Low	37 Å²	37	85.5 Å²	85.5	22%	0.224	44%	0.44	C	S	.	.	S	Bend	trans	-98.7	127.6	-176.1	-169.6	0	0	0	0	109.8	C393 A399	C393-V395 PolarHBondContact O-N 3.23Å; C393-V395 VanDerWaalsContact O-N 3.13Å; V395-A399 HydrophobicContact CG1-CB 3.71Å
396	H	78.4	Confident	64.8	Low	118 Å²	118	77.1 Å²	77.1	55%	0.546	40%	0.404	S	S	.	.			trans	-58.4	141.8	177.4	-168.4	-97.1	0	0	0	111.2	E398 A399	H396-E398 PolarHBondContact ND1-N 3.29Å; H396-E398 PolarHBondContact O-N 3.36Å; H396-A399 HydrophobicContact CB-CB 4.48Å; H396-A399 VanDerWaalsContact O-CB 3.28Å; H396-A399 WeakPolarHBondContact O-CB 3.21Å; H396-A399 PolarHBondContact O-N 2.93Å
397	R	81.7	Confident	68	Low	128 Å²	128	70.3 Å²	70.3	48%	0.483	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27	-173.5	70.5	-179.2	179	-166.8	-6.4	114	M341 G342	M341-R397 CarbonylContact C-O 2.99Å; M341-R397 VanDerWaalsContact CA-O 3.28Å; M341-R397 WeakPolarHBondContact CA-O 3.13Å; M341-R397 HydrophobicContact CB-CB 4.39Å; M341-R397 WeakPolarHBondContact CB-O 3.35Å; M341-R397 HydrophobicContact SD-CG 4.34Å; G342-R397 PolarHBondContact N-O 3.06Å
398	E	81.9	Confident	71.1	Confident	63 Å²	63	65.6 Å²	65.6	29%	0.294	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	6.9	-178.9	-48.8	-163.4	-164.5	0	0	113.8	M341 H396 F401 T470	M341-E398 VanDerWaalsContact CE-CD 3.43Å; M341-E398 HydrophobicContact CE-CG 3.59Å; M341-E398 HydrophobicContact CG-CG 4.46Å; M341-E398 HydrophobicContact SD-CG 3.92Å; H396-E398 PolarHBondContact ND1-N 3.29Å; H396-E398 PolarHBondContact O-N 3.36Å; E398-F401 WeakPolarHBondContact O-CD2 3.29Å; E398-T470 WeakPolarHBondContact O-CB 3.35Å; E398-T470 PolarHBondContact O-OG1 3.46Å
399	A	83.4	Confident	74.1	Confident	10 Å²	10	58.9 Å²	58.9	8%	0.083	31%	0.307	C	S	.	.			trans	-75.4	160	-179.8	0	0	0	0	0	112.7	K353 V395 H396 F401	K353-A399 PolarHBondContact NZ-O 2.91Å; K353-A399 VanDerWaalsContact NZ-O 3.07Å; V395-A399 HydrophobicContact CG1-CB 3.71Å; H396-A399 HydrophobicContact CB-CB 4.48Å; H396-A399 VanDerWaalsContact O-CB 3.28Å; H396-A399 WeakPolarHBondContact O-CB 3.21Å; H396-A399 PolarHBondContact O-N 2.93Å; A399-F401 VanDerWaalsContact C-N 3.32Å; A399-F401 PolarHBondContact O-N 2.8Å
400	D	93.6	Very high	77.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	65.5	30.1	172.4	-43	-61.3	0	0	0	114	Y244 G350 K351 P352 K353 T470 R472	Y244-D400 HydrophobicContact CE1-CB 4.3Å; Y244-D400 WeakPolarHBondContact CE1-OD1 3.24Å; Y244-D400 PolarHBondContact OH-OD1 2.99Å; G350-D400 WeakPolarHBondContact CA-OD2 3.47Å; K351-D400 VanDerWaalsContact O-CB 3.27Å; K351-D400 WeakPolarHBondContact O-CB 3.33Å; P352-D400 CarbonylContact C-O 3.51Å; P352-D400 WeakPolarHBondContact CA-O 3.33Å; K353-D400 PolarHBondContact N-O 3.1Å; D400-T470 PolarHBondContact N-O 3.38Å; D400-T470 PolarHBondContact N-OG1 3.5Å; D400-R472 VanDerWaalsContact CG-NH2 3.33Å; D400-R472 IonicContact OD1-CZ 3.34Å; D400-R472 IonicContact OD1-NE 2.81Å; D400-R472 PolarHBondContact OD1-NE 3.26Å; D400-R472 IonicContact OD1-NH2 3.04Å; D400-R472 PolarHBondContact OD1-NH2 3.39Å; D400-R472 IonicContact OD2-CZ 3.56Å; D400-R472 IonicContact OD2-NE 3.5Å; D400-R472 PolarHBondContact OD2-NE 2.55Å; D400-R472 IonicContact OD2-NH2 2.81Å; D400-R472 PolarHBondContact OD2-NH2 3.37Å
401	F	94.7	Very high	79.9	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.7	169.3	-78.7	-93.8	0	0	0	111.4	R337 F340 M341 K353 F355 E398 A399 H469 T470	R337-F401 HydrophobicContact CG-CD1 4.06Å; R337-F401 HydrophobicContact CG-CE1 3.76Å; R337-F401 HydrophobicContact CG-CE2 4.45Å; R337-F401 HydrophobicContact CG-CZ 3.95Å; R337-F401 WeakPolarHBondContact O-CZ 3.41Å; F340-F401 HydrophobicContact CB-CE1 3.97Å; F340-F401 HydrophobicContact CB-CZ 3.96Å; F340-F401 WeakPolarHBondContact O-CZ 3.29Å; M341-F401 HydrophobicContact CG-CE2 4.32Å; M341-F401 HydrophobicContact CG-CZ 4.31Å; K353-F401 HydrophobicContact CB-CD1 3.99Å; K353-F401 HydrophobicContact CB-CE1 4.15Å; K353-F401 HydrophobicContact CB-CG 4.47Å; K353-F401 HydrophobicContact CD-CE1 4.07Å; K353-F401 HydrophobicContact CD-CE2 4.18Å; K353-F401 HydrophobicContact CD-CZ 3.88Å; K353-F401 VanDerWaalsContact CE-CZ 3.44Å; K353-F401 WeakPolarHBondContact O-CA 3.37Å; F355-F401 HydrophobicContact CD2-CD1 4.09Å; F355-F401 HydrophobicContact CD2-CE1 4.41Å; F355-F401 AromaticContact CE2-CD1 3.74Å; F355-F401 HydrophobicContact CE2-CD1 3.74Å; F355-F401 AromaticContact CE2-CE1 3.64Å; F355-F401 HydrophobicContact CE2-CE1 3.64Å; F355-F401 HydrophobicContact CZ-CE1 4.36Å; E398-F401 WeakPolarHBondContact O-CD2 3.29Å; A399-F401 VanDerWaalsContact C-N 3.32Å; A399-F401 PolarHBondContact O-N 2.8Å; F401-H469 CarbonylContact O-C 3.48Å; F401-H469 VanDerWaalsContact O-CA 3.23Å; F401-H469 WeakPolarHBondContact O-CA 3.39Å; F401-H469 VanDerWaalsContact O-CB 3.3Å; F401-H469 WeakPolarHBondContact O-CB 3.36Å; F401-T470 PolarHBondContact N-OG1 2.9Å; F401-T470 PolarHBondContact O-N 2.47Å
402	F	96.6	Very high	82.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.9	165.5	-178.2	-84.1	0	0	0	107.9	K353 M354 F355 F356 L439 L440 H443 L467 H469 L471	K353-F402 PolarHBondContact O-N 3.01Å; M354-F402 CarbonylContact C-O 3.32Å; M354-F402 WeakPolarHBondContact CA-O 3.23Å; M354-F402 HydrophobicContact CG-CB 3.99Å; M354-F402 HydrophobicContact CG-CD1 4.48Å; M354-F402 HydrophobicContact CG-CG 4.49Å; F355-F402 PolarHBondContact N-O 3.04Å; F356-F402 HydrophobicContact CD1-CE1 4.48Å; F356-F402 HydrophobicContact CE1-CD1 4.24Å; F356-F402 AromaticContact CE1-CE1 3.69Å; F356-F402 HydrophobicContact CE1-CE1 3.69Å; F356-F402 HydrophobicContact CZ-CD1 4.36Å; F356-F402 HydrophobicContact CZ-CE1 4.14Å; F402-L439 HydrophobicContact CD1-CD2 3.88Å; F402-L439 HydrophobicContact CD2-CD2 4.09Å; F402-L439 HydrophobicContact CE1-CD2 3.88Å; F402-L439 HydrophobicContact CE1-CG 4.25Å; F402-L439 HydrophobicContact CE2-CD2 4.05Å; F402-L439 HydrophobicContact CE2-CG 4.12Å; F402-L439 HydrophobicContact CG-CD2 3.99Å; F402-L439 HydrophobicContact CZ-CD2 3.95Å; F402-L439 HydrophobicContact CZ-CG 3.92Å; F402-L440 HydrophobicContact CE2-CD1 4.15Å; F402-H443 AromaticContact CE1-CD2 3.95Å; F402-H443 HydrophobicContact CZ-CB 4.13Å; F402-H443 AromaticContact CZ-CD2 3.68Å; F402-H443 AromaticContact CZ-CG 3.92Å; F402-L467 HydrophobicContact CD1-CD1 4.33Å; F402-L467 HydrophobicContact CD2-CD1 4.2Å; F402-L467 HydrophobicContact CE1-CD1 3.73Å; F402-L467 HydrophobicContact CE2-CD1 3.61Å; F402-L467 HydrophobicContact CE2-CD2 4.34Å; F402-L467 HydrophobicContact CZ-CD1 3.33Å; F402-L467 HydrophobicContact CZ-CD2 4.39Å; F402-H469 HydrophobicContact CD2-CB 4.13Å; F402-L471 HydrophobicContact CB-CD1 4.38Å; F402-L471 HydrophobicContact CB-CD2 4.28Å; F402-L471 HydrophobicContact CB-CG 4.41Å; F402-L471 HydrophobicContact CD2-CD1 3.83Å
403	W	93.7	Very high	85.3	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	105.2	-170.2	-170.5	-81.7	0	0	0	110.6	L333 I336 R337 F355 I357 W466 L467 Q468	L333-W403 HydrophobicContact CB-CH2 4.28Å; L333-W403 HydrophobicContact CB-CZ2 3.72Å; L333-W403 HydrophobicContact CD1-CZ2 4.08Å; L333-W403 HydrophobicContact CD2-CH2 4.44Å; L333-W403 HydrophobicContact CD2-CZ2 3.98Å; L333-W403 HydrophobicContact CG-CZ2 4.12Å; I336-W403 HydrophobicContact CB-CH2 4.29Å; I336-W403 HydrophobicContact CG2-CH2 4.23Å; I336-W403 HydrophobicContact CG2-CZ3 4.44Å; R337-W403 HydrophobicContact CB-CZ3 4.18Å; R337-W403 VanDerWaalsContact NH2-CG 3.34Å; F355-W403 HydrophobicContact CB-CD2 4.12Å; F355-W403 HydrophobicContact CB-CE3 3.51Å; F355-W403 HydrophobicContact CB-CZ3 3.74Å; F355-W403 HydrophobicContact CD1-CE3 4.34Å; F355-W403 HydrophobicContact CD1-CH2 4.46Å; F355-W403 AromaticContact CD1-CZ3 3.76Å; F355-W403 HydrophobicContact CD1-CZ3 3.76Å; F355-W403 AromaticContact CD2-CE3 3.81Å; F355-W403 HydrophobicContact CD2-CE3 3.81Å; F355-W403 AromaticContact CD2-CZ3 3.91Å; F355-W403 HydrophobicContact CD2-CZ3 3.91Å; F355-W403 HydrophobicContact CE1-CZ3 4.37Å; F355-W403 HydrophobicContact CE2-CZ3 4.5Å; F355-W403 AromaticContact CG-CE3 3.63Å; F355-W403 HydrophobicContact CG-CE3 3.63Å; F355-W403 HydrophobicContact CG-CH2 4.49Å; F355-W403 AromaticContact CG-CZ3 3.51Å; F355-W403 HydrophobicContact CG-CZ3 3.51Å; I357-W403 HydrophobicContact CD1-CD2 4.49Å; I357-W403 HydrophobicContact CD1-CH2 3.5Å; I357-W403 VanDerWaalsContact CD1-CH2 3.5Å; I357-W403 HydrophobicContact CD1-CZ2 3.1Å; I357-W403 HydrophobicContact CD1-CZ3 4.32Å; I357-W403 HydrophobicContact CG1-CZ2 4.43Å; W403-W466 AromaticContact CD1-CE3 3.93Å; W403-W466 AromaticContact CD1-CZ3 3.52Å; W403-W466 HydrophobicContact CG-CZ3 4.49Å; W403-W466 AromaticContact NE1-CZ3 3.99Å; W403-L467 WeakPolarHBondContact O-CA 3.48Å; W403-Q468 WeakPolarHBondContact CA-O 3.36Å; W403-Q468 HydrophobicContact CB-CB 4.48Å; W403-Q468 VanDerWaalsContact CB-O 3.3Å; W403-Q468 WeakPolarHBondContact CB-O 3.07Å; W403-Q468 PolarHBondContact N-O 3.4Å; W403-Q468 PolarHBondContact O-N 3.38Å
404	S	96.1	Very high	87.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108.5	177.4	175.7	0	0	0	0	109.7	F355 F356 I357 Y423 H443	F355-S404 PolarHBondContact O-N 3.23Å; F356-S404 CarbonylContact C-O 3.59Å; F356-S404 WeakPolarHBondContact CA-O 3.38Å; I357-S404 PolarHBondContact N-O 2.92Å; S404-Y423 WeakPolarHBondContact CB-OH 3.48Å; S404-Y423 PolarHBondContact OG-OH 3.27Å; S404-H443 VanDerWaalsContact CB-NE2 3.34Å; S404-H443 WeakPolarHBondContact CB-NE2 2.97Å; S404-H443 PolarHBondContact OG-CE1 2.83Å; S404-H443 PolarHBondContact OG-NE2 2.84Å
405	L	95.1	Very high	88.3	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.8	177	174.4	64	0	0	0	109.3	L333 I357 N359 W466	L333-L405 HydrophobicContact CD1-CD1 3.98Å; L333-L405 HydrophobicContact CD1-CD2 3.82Å; I357-L405 HydrophobicContact CB-CD1 3.81Å; I357-L405 HydrophobicContact CG2-CD1 3.63Å; N359-L405 HydrophobicContact CB-CD1 3.97Å; L405-W466 HydrophobicContact CB-CE3 4.2Å; L405-W466 PolarHBondContact N-O 3Å; L405-W466 PolarHBondContact O-N 2.84Å
406	C	95.5	Very high	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.7	168.5	-174.1	0	0	0	0	109.7	I357 Q358 N359 Y423 Y464 V465	I357-C406 PolarHBondContact O-N 2.89Å; Q358-C406 PolarHBondContact NE2-O 2.8Å; N359-C406 PolarHBondContact N-O 2.96Å; C406-Y423 HydrophobicContact CB-CD1 3.38Å; C406-Y423 HydrophobicContact CB-CD2 3.95Å; C406-Y423 HydrophobicContact CB-CE1 3.65Å; C406-Y423 HydrophobicContact CB-CE2 4.2Å; C406-Y423 HydrophobicContact CB-CG 3.53Å; C406-Y464 CarbonylContact C-O 3.52Å; C406-Y464 VanDerWaalsContact CA-O 3.28Å; C406-Y464 WeakPolarHBondContact CA-O 3.2Å; C406-V465 HydrophobicContact CB-CG2 4.2Å
407	T	93.6	Very high	88.1	Confident	36 Å²	36	38.2 Å²	38.2	22%	0.221	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.2	175.7	-54	0	0	0	0	109.4	N359 V361 Y464	N359-T407 CarbonylContact O-C 3.58Å; N359-T407 WeakPolarHBondContact O-CA 3.45Å; V361-T407 HydrophobicContact CB-CG2 4.07Å; V361-T407 HydrophobicContact CG2-CG2 3.57Å; T407-Y464 PolarHBondContact N-O 3.08Å; T407-Y464 PolarHBondContact O-N 3.46Å
408	A	93.7	Very high	87.4	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	161.9	174.9	0	0	0	0	0	110.1	N359 Y360 V361 L412 Y463	N359-A408 PolarHBondContact O-N 2.84Å; Y360-A408 CarbonylContact C-O 3.6Å; Y360-A408 VanDerWaalsContact CA-O 3.31Å; Y360-A408 WeakPolarHBondContact CA-O 3.33Å; Y360-A408 HydrophobicContact CD1-CB 4.07Å; Y360-A408 HydrophobicContact CE1-CB 4.06Å; V361-A408 PolarHBondContact N-O 3.2Å; A408-L412 HydrophobicContact CB-CD1 3.91Å; A408-Y463 HydrophobicContact CB-CD1 3.79Å; A408-Y463 HydrophobicContact CB-CE1 3.85Å; A408-Y463 HydrophobicContact CB-CG 4.44Å
409	D	93.2	Very high	87.1	Confident	15 Å²	15	36.5 Å²	36.5	8%	0.08	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.9	-179	-167.3	-87	0	0	0	111.8	V361 S363 S411 L412 K460	V361-D409 CarbonylContact O-C 3.52Å; V361-D409 WeakPolarHBondContact O-CA 3.35Å; S363-D409 WeakPolarHBondContact CB-OD2 3.17Å; S363-D409 PolarHBondContact N-OD2 2.93Å; S363-D409 PolarHBondContact OG-OD2 3.19Å; D409-S411 PolarHBondContact O-N 3.4Å; D409-S411 WeakPolarHBondContact OD1-CB 3.18Å; D409-S411 PolarHBondContact OD1-N 3.44Å; D409-S411 PolarHBondContact OD1-OG 3.21Å; D409-L412 WeakPolarHBondContact O-CB 3.34Å; D409-L412 PolarHBondContact O-N 3.47Å; D409-K460 HydrophobicContact CB-CB 4.25Å; D409-K460 WeakPolarHBondContact CB-O 3.23Å
410	M	90.9	Very high	87.1	Confident	24 Å²	24	37.6 Å²	37.6	12%	0.118	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.1	177.5	-163.5	70.1	75.3	0	0	113.5	R315 Y360 V361 V362 L412 L413	R315-M410 HydrophobicContact CB-CE 3.74Å; R315-M410 HydrophobicContact CB-SD 4.19Å; R315-M410 VanDerWaalsContact CD-SD 3.54Å; R315-M410 HydrophobicContact CG-CE 3.78Å; R315-M410 HydrophobicContact CG-SD 3.53Å; R315-M410 VanDerWaalsContact CG-SD 3.53Å; Y360-M410 WeakPolarHBondContact O-CE 3.43Å; V361-M410 PolarHBondContact O-N 3.24Å; V362-M410 HydrophobicContact CG2-CB 4.19Å; V362-M410 HydrophobicContact CG2-CE 4.2Å; V362-M410 HydrophobicContact CG2-CG 4.47Å; M410-L412 PolarHBondContact O-N 3.25Å; M410-L412 VanDerWaalsContact O-N 3.14Å; M410-L413 WeakPolarHBondContact O-CB 3.3Å; M410-L413 PolarHBondContact O-N 3.09Å; M410-L413 HydrophobicContact SD-CD1 3.79Å
411	S	90.2	Very high	87	Confident	17 Å²	17	37.5 Å²	37.5	12%	0.119	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-21.9	-179.4	61.5	0	0	0	0	113.8	D409 L413 E414 Q415	D409-S411 PolarHBondContact O-N 3.4Å; D409-S411 WeakPolarHBondContact OD1-CB 3.18Å; D409-S411 PolarHBondContact OD1-N 3.44Å; D409-S411 PolarHBondContact OD1-OG 3.21Å; S411-L413 PolarHBondContact O-N 3.08Å; S411-E414 PolarHBondContact O-N 3.36Å; S411-E414 VanDerWaalsContact O-N 3.13Å; S411-Q415 PolarHBondContact O-N 2.96Å; S411-Q415 VanDerWaalsContact O-N 3.16Å
412	L	90.4	Very high	87	Confident	30 Å²	30	38.8 Å²	38.8	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-34	171	-74.2	171.8	0	0	0	112.1	Y360 A408 D409 M410 E414 S416 E461 Y463	Y360-L412 HydrophobicContact CE1-CB 4.28Å; A408-L412 HydrophobicContact CB-CD1 3.91Å; D409-L412 WeakPolarHBondContact O-CB 3.34Å; D409-L412 PolarHBondContact O-N 3.47Å; M410-L412 PolarHBondContact O-N 3.25Å; M410-L412 VanDerWaalsContact O-N 3.14Å; L412-E414 VanDerWaalsContact C-N 3.34Å; L412-S416 PolarHBondContact O-N 3.26Å; L412-E461 HydrophobicContact CD2-CB 4.4Å; L412-E461 HydrophobicContact CD2-CG 4.09Å; L412-Y463 HydrophobicContact CD1-CE2 4.24Å
413	L	88.1	Confident	86.9	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-72.2	-31.9	175	-58.9	-175.5	0	0	0	111.3	I260 R315 Y360 M410 S411 H417	I260-L413 HydrophobicContact CD1-CD1 3.61Å; I260-L413 HydrophobicContact CD1-CD2 4.22Å; I260-L413 HydrophobicContact CG1-CD1 4.14Å; I260-L413 HydrophobicContact CG2-CD1 4.11Å; I260-L413 HydrophobicContact CG2-CD2 3.79Å; R315-L413 HydrophobicContact CG-CD1 4.01Å; Y360-L413 HydrophobicContact CD1-CD1 4.08Å; Y360-L413 HydrophobicContact CD1-CD2 3.8Å; Y360-L413 HydrophobicContact CD1-CG 3.65Å; Y360-L413 HydrophobicContact CD2-CD1 4.01Å; Y360-L413 HydrophobicContact CD2-CD2 4.11Å; Y360-L413 HydrophobicContact CD2-CG 4.29Å; Y360-L413 HydrophobicContact CE1-CD2 3.56Å; Y360-L413 HydrophobicContact CE1-CG 3.93Å; Y360-L413 HydrophobicContact CE2-CD2 3.85Å; Y360-L413 HydrophobicContact CG-CD1 3.7Å; Y360-L413 HydrophobicContact CG-CD2 4.05Å; Y360-L413 HydrophobicContact CG-CG 3.82Å; M410-L413 WeakPolarHBondContact O-CB 3.3Å; M410-L413 PolarHBondContact O-N 3.09Å; M410-L413 HydrophobicContact SD-CD1 3.79Å; S411-L413 PolarHBondContact O-N 3.08Å; L413-H417 WeakPolarHBondContact O-CA 3.38Å; L413-H417 PolarHBondContact O-CE1 3.4Å; L413-H417 PolarHBondContact O-N 2.78Å; L413-H417 PolarHBondContact O-ND1 3.2Å
414	E	84	Confident	87	Confident	138 Å²	138	38.8 Å²	38.8	65%	0.645	21%	0.213	S	C	*	.	H	α-helix	trans	-70.7	-36.2	-179.9	-65.3	169.9	-175.9	0	0	112.2	S411 L412 H417	S411-E414 PolarHBondContact O-N 3.36Å; S411-E414 VanDerWaalsContact O-N 3.13Å; L412-E414 VanDerWaalsContact C-N 3.34Å; E414-H417 PolarHBondContact O-CE1 2.79Å
415	Q	78.1	Confident	86.9	Confident	155 Å²	155	42.5 Å²	42.5	72%	0.724	23%	0.23	S	C	*	.	H	α-helix	trans	-74.2	-39	178.9	-74.2	-176	-5.1	0	0	113.3	S411	S411-Q415 PolarHBondContact O-N 2.96Å; S411-Q415 VanDerWaalsContact O-N 3.16Å
416	S	70	Confident	87	Confident	39 Å²	39	42.7 Å²	42.7	27%	0.273	23%	0.232	S	C	.	.			trans	-152.1	89.8	179.7	-172.7	0	0	0	0	110.6	L412 S418 S419	L412-S416 PolarHBondContact O-N 3.26Å; S416-S418 PolarHBondContact O-N 2.84Å; S416-S419 WeakPolarHBondContact CB-OG 3.25Å; S416-S419 PolarHBondContact O-N 3.14Å; S416-S419 WeakPolarHBondContact OG-CB 3.22Å; S416-S419 PolarHBondContact OG-N 2.9Å; S416-S419 PolarHBondContact OG-OG 3.2Å
417	H	65.2	Low	87	Confident	128 Å²	128	43 Å²	43	59%	0.593	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.7	180	-39.1	-60.7	0	0	0	113.1	N262 L413 E414	N262-H417 WeakPolarHBondContact CB-O 3.26Å; L413-H417 WeakPolarHBondContact O-CA 3.38Å; L413-H417 PolarHBondContact O-CE1 3.4Å; L413-H417 PolarHBondContact O-N 2.78Å; L413-H417 PolarHBondContact O-ND1 3.2Å; E414-H417 PolarHBondContact O-CE1 2.79Å
418	S	67.1	Low	87.1	Confident	90 Å²	90	41.3 Å²	41.3	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.3	-174.9	59.7	0	0	0	0	114.5	S416 P420	S416-S418 PolarHBondContact O-N 2.84Å; S418-P420 WeakPolarHBondContact O-CD 3.36Å
419	S	76.6	Confident	87.2	Confident	65 Å²	65	46 Å²	46	46%	0.455	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-76.3	122.3	178.1	-72.2	0	0	0	0	110.3	N262 S416	N262-S419 PolarHBondContact ND2-O 3.27Å; S416-S419 WeakPolarHBondContact CB-OG 3.25Å; S416-S419 PolarHBondContact O-N 3.14Å; S416-S419 WeakPolarHBondContact OG-CB 3.22Å; S416-S419 PolarHBondContact OG-N 2.9Å; S416-S419 PolarHBondContact OG-OG 3.2Å
420	P	83.5	Confident	87.3	Confident	33 Å²	33	47.1 Å²	47.1	21%	0.214	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67.1	145.7	178.4	20.6	-25.5	0	0	0	111.2	N262 T264 S418 L422 Q425	N262-P420 WeakPolarHBondContact O-CA 3.14Å; T264-P420 WeakPolarHBondContact OG1-CB 3.48Å; T264-P420 WeakPolarHBondContact OG1-CG 3.5Å; S418-P420 WeakPolarHBondContact O-CD 3.36Å; P420-L422 PolarHBondContact O-N 2.82Å; P420-Q425 HydrophobicContact CB-CG 4.06Å; P420-Q425 HydrophobicContact CG-CG 4.1Å; P420-Q425 PolarHBondContact O-NE2 2.98Å
421	S	91.4	Very high	87.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-52.8	132.6	174.7	146	0	0	0	0	111.7	Q358 Y423 L424 Q425	Q358-S421 VanDerWaalsContact OE1-CB 3.31Å; Q358-S421 PolarHBondContact OE1-OG 2.8Å; S421-Y423 PolarHBondContact O-N 3.08Å; S421-Y423 WeakPolarHBondContact OG-CB 3.39Å; S421-Y423 PolarHBondContact OG-N 3.24Å; S421-L424 PolarHBondContact O-N 3.47Å; S421-L424 PolarHBondContact OG-N 2.82Å; S421-Q425 WeakPolarHBondContact O-CG 3.46Å; S421-Q425 PolarHBondContact O-N 2.94Å
422	L	93.4	Very high	87.7	Confident	29 Å²	29	49.9 Å²	49.9	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-35.2	176.4	-143.8	101.3	0	0	0	111.3	P420 C426 Y449 M450 W453 Y463	P420-L422 PolarHBondContact O-N 2.82Å; L422-C426 VanDerWaalsContact O-CB 3.3Å; L422-C426 WeakPolarHBondContact O-CB 3.47Å; L422-C426 PolarHBondContact O-N 2.71Å; L422-Y449 HydrophobicContact CD2-CE1 3.69Å; L422-Y449 HydrophobicContact CG-CE1 4.45Å; L422-M450 HydrophobicContact CB-CE 4.33Å; L422-M450 HydrophobicContact CD2-CE 3.88Å; L422-M450 HydrophobicContact CG-CE 4.47Å; L422-W453 HydrophobicContact CD1-CE3 4.37Å; L422-W453 HydrophobicContact CD1-CH2 4.13Å; L422-W453 HydrophobicContact CD1-CZ2 4.28Å; L422-W453 HydrophobicContact CD1-CZ3 4.18Å; L422-W453 HydrophobicContact CD2-CB 4.19Å; L422-W453 HydrophobicContact CD2-CD2 3.57Å; L422-W453 HydrophobicContact CD2-CE3 3.71Å; L422-W453 HydrophobicContact CD2-CG 3.77Å; L422-W453 HydrophobicContact CD2-CZ3 4.34Å; L422-Y463 HydrophobicContact CB-CD2 4.16Å; L422-Y463 HydrophobicContact CB-CE2 3.78Å
423	Y	95.7	Very high	87.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-49.4	174.3	156.4	-105.8	0	0	0	111.7	Q358 S404 C406 S421 C426 L427 L446 V465	Q358-Y423 HydrophobicContact CB-CD1 4.47Å; S404-Y423 WeakPolarHBondContact CB-OH 3.48Å; S404-Y423 PolarHBondContact OG-OH 3.27Å; C406-Y423 HydrophobicContact CB-CD1 3.38Å; C406-Y423 HydrophobicContact CB-CD2 3.95Å; C406-Y423 HydrophobicContact CB-CE1 3.65Å; C406-Y423 HydrophobicContact CB-CE2 4.2Å; C406-Y423 HydrophobicContact CB-CG 3.53Å; S421-Y423 PolarHBondContact O-N 3.08Å; S421-Y423 WeakPolarHBondContact OG-CB 3.39Å; S421-Y423 PolarHBondContact OG-N 3.24Å; Y423-C426 PolarHBondContact O-N 2.89Å; Y423-L427 WeakPolarHBondContact O-CB 3.21Å; Y423-L427 PolarHBondContact O-N 2.96Å; Y423-L446 HydrophobicContact CD2-CD1 4.01Å; Y423-L446 HydrophobicContact CD2-CD2 3.67Å; Y423-L446 HydrophobicContact CD2-CG 4.4Å; Y423-L446 HydrophobicContact CE2-CD1 4.1Å; Y423-L446 HydrophobicContact CE2-CD2 3.91Å; Y423-V465 HydrophobicContact CD2-CG2 4.02Å; Y423-V465 HydrophobicContact CE2-CG1 4.38Å
424	L	95.3	Very high	88.1	Confident	5 Å²	5	57 Å²	57	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-38	179.9	-65.2	-177.7	0	0	0	111.9	E263 L267 V313 Q358 S421 L427 S428	E263-L424 HydrophobicContact CG-CD1 4.38Å; L267-L424 HydrophobicContact CD1-CB 4.09Å; L267-L424 HydrophobicContact CD1-CD1 4.12Å; L267-L424 HydrophobicContact CD1-CD2 3.91Å; L267-L424 HydrophobicContact CD1-CG 4.24Å; V313-L424 HydrophobicContact CG2-CD1 3.63Å; Q358-L424 HydrophobicContact CB-CD1 4.08Å; Q358-L424 HydrophobicContact CB-CD2 4.34Å; Q358-L424 HydrophobicContact CB-CG 4.26Å; S421-L424 PolarHBondContact O-N 3.47Å; S421-L424 PolarHBondContact OG-N 2.82Å; L424-L427 PolarHBondContact O-N 3.49Å; L424-S428 WeakPolarHBondContact O-CB 3.22Å; L424-S428 PolarHBondContact O-N 2.65Å
425	Q	94.4	Very high	88.5	Confident	77 Å²	77	54.1 Å²	54.1	36%	0.36	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-49.3	173.9	-70.7	-178.6	62.8	0	0	111.6	L266 P420 S421 L427 S428 Q429	L266-Q425 HydrophobicContact CD2-CB 4.43Å; L266-Q425 HydrophobicContact CD2-CG 4.28Å; P420-Q425 HydrophobicContact CB-CG 4.06Å; P420-Q425 HydrophobicContact CG-CG 4.1Å; P420-Q425 PolarHBondContact O-NE2 2.98Å; S421-Q425 WeakPolarHBondContact O-CG 3.46Å; S421-Q425 PolarHBondContact O-N 2.94Å; Q425-L427 PolarHBondContact O-N 3.31Å; Q425-S428 WeakPolarHBondContact O-CB 3.35Å; Q425-S428 PolarHBondContact O-N 3.2Å; Q425-Q429 WeakPolarHBondContact O-CB 3.45Å; Q425-Q429 PolarHBondContact O-N 3.39Å
426	C	95.7	Very high	89.3	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.054	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-45.3	178.2	-174.8	0	0	0	0	111.5	L422 Y423 S428 Q429 K430 L446 Y449 M450	L422-C426 VanDerWaalsContact O-CB 3.3Å; L422-C426 WeakPolarHBondContact O-CB 3.47Å; L422-C426 PolarHBondContact O-N 2.71Å; Y423-C426 PolarHBondContact O-N 2.89Å; C426-S428 VanDerWaalsContact C-N 3.32Å; C426-S428 PolarHBondContact O-N 2.84Å; C426-Q429 PolarHBondContact O-N 2.8Å; C426-K430 WeakPolarHBondContact O-CB 3.42Å; C426-K430 WeakPolarHBondContact O-CG 3.32Å; C426-K430 PolarHBondContact O-N 2.96Å; C426-L446 HydrophobicContact CB-CD1 4.21Å; C426-L446 HydrophobicContact CB-CG 4.4Å; C426-Y449 HydrophobicContact CB-CD1 3.9Å; C426-Y449 HydrophobicContact CB-CE1 4.08Å; C426-Y449 WeakPolarHBondContact SG-CD1 3.46Å; C426-M450 HydrophobicContact CB-CE 4Å
427	L	96	Very high	90.5	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-48.5	175.9	178.3	64.5	0	0	0	110.8	F356 Y423 L424 Q425 Q429 K430 L431 L446	F356-L427 HydrophobicContact CB-CD2 4Å; F356-L427 HydrophobicContact CD1-CD1 4.11Å; F356-L427 HydrophobicContact CD1-CD2 3.46Å; F356-L427 VanDerWaalsContact CD1-CD2 3.46Å; F356-L427 HydrophobicContact CD1-CG 4.45Å; F356-L427 HydrophobicContact CD2-CD2 4.31Å; F356-L427 HydrophobicContact CE1-CD1 3.78Å; F356-L427 HydrophobicContact CE1-CD2 3.94Å; F356-L427 HydrophobicContact CG-CD2 3.67Å; F356-L427 HydrophobicContact CZ-CD1 4.37Å; Y423-L427 WeakPolarHBondContact O-CB 3.21Å; Y423-L427 PolarHBondContact O-N 2.96Å; L424-L427 PolarHBondContact O-N 3.49Å; Q425-L427 PolarHBondContact O-N 3.31Å; L427-Q429 PolarHBondContact O-N 3.05Å; L427-K430 PolarHBondContact O-N 3.18Å; L427-L431 HydrophobicContact CD1-CD1 3.88Å; L427-L431 HydrophobicContact CD1-CG 4.12Å; L427-L431 HydrophobicContact CG-CD1 3.99Å; L427-L431 WeakPolarHBondContact O-CB 3.28Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.34Å; L427-L431 PolarHBondContact O-N 3.39Å; L427-L446 HydrophobicContact CB-CD1 3.72Å; L427-L446 HydrophobicContact CD1-CD1 4.24Å
428	S	95.5	Very high	91.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-46	179.3	-166.7	0	0	0	0	112.2	L266 T270 L424 Q425 C426 R432	L266-S428 VanDerWaalsContact CD2-CB 3.45Å; L266-S428 WeakPolarHBondContact CG-OG 3.46Å; L266-S428 PolarHBondContact O-OG 2.84Å; L266-S428 VanDerWaalsContact O-OG 3.13Å; T270-S428 VanDerWaalsContact CB-OG 3.31Å; T270-S428 WeakPolarHBondContact CB-OG 3.45Å; T270-S428 PolarHBondContact OG1-OG 3.06Å; L424-S428 WeakPolarHBondContact O-CB 3.22Å; L424-S428 PolarHBondContact O-N 2.65Å; Q425-S428 WeakPolarHBondContact O-CB 3.35Å; Q425-S428 PolarHBondContact O-N 3.2Å; C426-S428 VanDerWaalsContact C-N 3.32Å; C426-S428 PolarHBondContact O-N 2.84Å; S428-R432 VanDerWaalsContact O-CB 3.27Å; S428-R432 WeakPolarHBondContact O-CB 3.4Å; S428-R432 PolarHBondContact O-N 2.73Å
429	Q	95.6	Very high	93.3	Very high	101 Å²	101	47.4 Å²	47.4	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-60.2	-51.1	178.2	-178.7	-175.6	-16.6	0	0	111.4	Q425 C426 L427 L431 R432 Q433	Q425-Q429 WeakPolarHBondContact O-CB 3.45Å; Q425-Q429 PolarHBondContact O-N 3.39Å; C426-Q429 PolarHBondContact O-N 2.8Å; L427-Q429 PolarHBondContact O-N 3.05Å; Q429-L431 PolarHBondContact O-N 3.32Å; Q429-R432 PolarHBondContact O-N 2.94Å; Q429-Q433 HydrophobicContact CG-CG 4.45Å; Q429-Q433 WeakPolarHBondContact O-CB 3.33Å; Q429-Q433 WeakPolarHBondContact O-CG 3.31Å; Q429-Q433 PolarHBondContact O-N 2.84Å
430	K	95.5	Very high	94.1	Very high	39 Å²	39	47.2 Å²	47.2	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-47	-179.2	-74.3	-75.4	168.1	-172.6	0	111.6	C426 L427 R432 E434 L442 E445	C426-K430 WeakPolarHBondContact O-CB 3.42Å; C426-K430 WeakPolarHBondContact O-CG 3.32Å; C426-K430 PolarHBondContact O-N 2.96Å; L427-K430 PolarHBondContact O-N 3.18Å; K430-R432 PolarHBondContact O-N 3.06Å; K430-E434 WeakPolarHBondContact CD-OE1 3.39Å; K430-E434 IonicContact NZ-OE1 2.9Å; K430-E434 PolarHBondContact NZ-OE1 2.88Å; K430-E434 WeakPolarHBondContact O-CB 3.23Å; K430-E434 PolarHBondContact O-N 2.8Å; K430-L442 HydrophobicContact CD-CD2 4.49Å; K430-E445 IonicContact NZ-OE2 3.49Å; K430-E445 PolarHBondContact NZ-OE2 3.3Å
431	L	95.7	Very high	94.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-40.6	177.5	-73.6	-178.5	0	0	0	112.5	T270 F271 L274 L427 Q429 R435 L439 L442 L477	T270-L431 HydrophobicContact CG2-CB 3.83Å; F271-L431 HydrophobicContact CE1-CD1 4.03Å; F271-L431 HydrophobicContact CZ-CD1 3.82Å; L274-L431 HydrophobicContact CD1-CB 4.25Å; L274-L431 HydrophobicContact CD1-CD1 4.38Å; L427-L431 HydrophobicContact CD1-CD1 3.88Å; L427-L431 HydrophobicContact CD1-CG 4.12Å; L427-L431 HydrophobicContact CG-CD1 3.99Å; L427-L431 WeakPolarHBondContact O-CB 3.28Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.34Å; L427-L431 PolarHBondContact O-N 3.39Å; Q429-L431 PolarHBondContact O-N 3.32Å; L431-R435 WeakPolarHBondContact O-CA 3.42Å; L431-R435 VanDerWaalsContact O-CB 3.29Å; L431-R435 WeakPolarHBondContact O-CB 3.3Å; L431-R435 PolarHBondContact O-N 3.02Å; L431-L439 HydrophobicContact CD2-CD1 3.9Å; L431-L442 HydrophobicContact CD2-CD1 4.04Å; L431-L477 HydrophobicContact CD2-CD1 3.87Å
432	R	93.7	Very high	94.9	Very high	98 Å²	98	49.4 Å²	49.4	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-70.5	-44	-178	-169.9	177.8	-72.6	-158.4	0.2	112.3	T270 S428 Q429 K430	T270-R432 HydrophobicContact CG2-CB 4.24Å; T270-R432 PolarHBondContact OG1-NE 3.33Å; T270-R432 PolarHBondContact OG1-NH2 2.81Å; S428-R432 VanDerWaalsContact O-CB 3.27Å; S428-R432 WeakPolarHBondContact O-CB 3.4Å; S428-R432 PolarHBondContact O-N 2.73Å; Q429-R432 PolarHBondContact O-N 2.94Å; K430-R432 PolarHBondContact O-N 3.06Å
433	Q	93.6	Very high	95	Very high	133 Å²	133	48.1 Å²	48.1	62%	0.621	22%	0.218	S	C	*	.	H	α-helix	trans	-78.3	-36.1	-176	-68.6	179.2	-11.6	0	0	112.4	Q429	Q429-Q433 HydrophobicContact CG-CG 4.45Å; Q429-Q433 WeakPolarHBondContact O-CB 3.33Å; Q429-Q433 WeakPolarHBondContact O-CG 3.31Å; Q429-Q433 PolarHBondContact O-N 2.84Å
434	E	94.1	Very high	94.6	Very high	52 Å²	52	53 Å²	53	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-125.5	27.8	-164.5	-53.7	-173.3	-113.1	0	0	113.1	K430 K436 R437 L442	K430-E434 WeakPolarHBondContact CD-OE1 3.39Å; K430-E434 IonicContact NZ-OE1 2.9Å; K430-E434 PolarHBondContact NZ-OE1 2.88Å; K430-E434 WeakPolarHBondContact O-CB 3.23Å; K430-E434 PolarHBondContact O-N 2.8Å; E434-K436 PolarHBondContact O-N 3.33Å; E434-R437 HydrophobicContact CB-CG 4.39Å; E434-R437 WeakPolarHBondContact O-CB 3.27Å; E434-R437 PolarHBondContact O-N 3.25Å; E434-R437 IonicContact OE1-NH1 2.73Å; E434-R437 WeakPolarHBondContact OE2-CD 3.42Å; E434-R437 IonicContact OE2-CZ 2.71Å; E434-R437 IonicContact OE2-NE 3.43Å; E434-R437 IonicContact OE2-NH1 3.99Å; E434-R437 PolarHBondContact OE2-NH1 3.49Å; E434-L442 HydrophobicContact CB-CD2 3.61Å; E434-L442 HydrophobicContact CG-CD2 4.46Å
435	R	92.6	Very high	94.5	Very high	77 Å²	77	56 Å²	56	29%	0.291	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-20.8	-174.4	72.1	-179.8	74.5	-167.7	-2.4	117.1	S273 L274 L431 I476	S273-R435 PolarHBondContact O-NH1 3.38Å; S273-R435 PolarHBondContact OG-NH2 3.41Å; L274-R435 HydrophobicContact CD2-CB 3.45Å; L274-R435 VanDerWaalsContact CD2-CB 3.45Å; L274-R435 HydrophobicContact CD2-CG 4.36Å; L431-R435 WeakPolarHBondContact O-CA 3.42Å; L431-R435 VanDerWaalsContact O-CB 3.29Å; L431-R435 WeakPolarHBondContact O-CB 3.3Å; L431-R435 PolarHBondContact O-N 3.02Å; R435-I476 WeakPolarHBondContact O-CG2 3.48Å
436	K	94.2	Very high	94.6	Very high	176 Å²	176	52.4 Å²	52.4	77%	0.765	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.2	179.9	-66.3	-174.4	179.2	-180	0	113.1	E434 I476	E434-K436 PolarHBondContact O-N 3.33Å; K436-I476 WeakPolarHBondContact O-CG2 3.44Å
437	R	95.3	Very high	94.2	Very high	75 Å²	75	54.1 Å²	54.1	28%	0.283	25%	0.249	S	C	.	.	S	Bend	trans	-83.9	154.7	176.4	-66	-178	61.9	-167.2	-3.4	111.2	E434 L442 E445	E434-R437 HydrophobicContact CB-CG 4.39Å; E434-R437 WeakPolarHBondContact O-CB 3.27Å; E434-R437 PolarHBondContact O-N 3.25Å; E434-R437 IonicContact OE1-NH1 2.73Å; E434-R437 WeakPolarHBondContact OE2-CD 3.42Å; E434-R437 IonicContact OE2-CZ 2.71Å; E434-R437 IonicContact OE2-NE 3.43Å; E434-R437 IonicContact OE2-NH1 3.99Å; E434-R437 PolarHBondContact OE2-NH1 3.49Å; R437-L442 HydrophobicContact CB-CD1 4.43Å; R437-L442 HydrophobicContact CB-CD2 3.91Å; R437-L442 HydrophobicContact CB-CG 4.06Å; R437-E445 IonicContact CZ-OE1 2.69Å; R437-E445 VanDerWaalsContact NH1-CD 3.28Å; R437-E445 IonicContact NH1-OE1 3.83Å; R437-E445 PolarHBondContact NH1-OE1 2.97Å; R437-E445 IonicContact NH1-OE2 3.16Å; R437-E445 PolarHBondContact NH1-OE2 3.39Å; R437-E445 IonicContact NH2-OE1 3.79Å; R437-E445 PolarHBondContact NH2-OE1 2.96Å
438	P	95.7	Very high	94	Very high	18 Å²	18	55.9 Å²	55.9	12%	0.117	27%	0.268	C	S	.	.			trans	-57.5	139.1	174	-24.8	36.2	0	0	0	111.8	L440 D441 L442 K474 L475 I476	P438-L440 PolarHBondContact O-N 2.79Å; P438-D441 HydrophobicContact CB-CB 4.37Å; P438-D441 WeakPolarHBondContact CD-OD2 3.42Å; P438-D441 VanDerWaalsContact CG-OD2 3.31Å; P438-D441 WeakPolarHBondContact CG-OD2 3.39Å; P438-D441 PolarHBondContact O-N 2.88Å; P438-L442 WeakPolarHBondContact O-CG 3.33Å; P438-L442 PolarHBondContact O-N 3.43Å; P438-L442 VanDerWaalsContact O-N 3.16Å; P438-K474 HydrophobicContact CB-CG 4.45Å; P438-K474 HydrophobicContact CG-CD 4.38Å; P438-K474 HydrophobicContact CG-CG 4.25Å; P438-L475 CarbonylContact C-O 3.51Å; P438-L475 VanDerWaalsContact CA-O 3.31Å; P438-L475 WeakPolarHBondContact CA-O 3.35Å; P438-I476 HydrophobicContact CB-CG1 4.3Å; P438-I476 HydrophobicContact CG-CD1 4.34Å; P438-I476 HydrophobicContact CG-CG1 4.15Å
439	L	96.4	Very high	94	Very high	2 Å²	2	61 Å²	61	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-38.4	179.3	178.8	62.4	0	0	0	111.5	M354 F356 F402 L431 L442 H443 L475 L477	M354-L439 HydrophobicContact CG-CD2 4.02Å; M354-L439 HydrophobicContact SD-CD2 3.8Å; F356-L439 HydrophobicContact CZ-CD1 4.11Å; F356-L439 HydrophobicContact CZ-CD2 4.15Å; F402-L439 HydrophobicContact CD1-CD2 3.88Å; F402-L439 HydrophobicContact CD2-CD2 4.09Å; F402-L439 HydrophobicContact CE1-CD2 3.88Å; F402-L439 HydrophobicContact CE1-CG 4.25Å; F402-L439 HydrophobicContact CE2-CD2 4.05Å; F402-L439 HydrophobicContact CE2-CG 4.12Å; F402-L439 HydrophobicContact CG-CD2 3.99Å; F402-L439 HydrophobicContact CZ-CD2 3.95Å; F402-L439 HydrophobicContact CZ-CG 3.92Å; L431-L439 HydrophobicContact CD2-CD1 3.9Å; L439-L442 PolarHBondContact O-N 2.99Å; L439-H443 WeakPolarHBondContact O-CB 3.27Å; L439-H443 PolarHBondContact O-N 3.39Å; L439-L475 HydrophobicContact CB-CD2 4.43Å; L439-L475 HydrophobicContact CB-CG 4.33Å; L439-L475 HydrophobicContact CD2-CD2 3.77Å; L439-L475 HydrophobicContact CD2-CG 4.45Å; L439-L475 PolarHBondContact N-O 3.49Å; L439-L477 HydrophobicContact CD1-CD1 4.1Å; L439-L477 HydrophobicContact CD2-CD1 4.46Å
440	L	93.5	Very high	94	Very high	60 Å²	60	56.3 Å²	56.3	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-44.8	179.6	-166.8	63.5	0	0	0	111.3	F402 P438 L442 H443 I444 L467	F402-L440 HydrophobicContact CE2-CD1 4.15Å; P438-L440 PolarHBondContact O-N 2.79Å; L440-L442 PolarHBondContact O-N 3.07Å; L440-H443 WeakPolarHBondContact O-CB 3.34Å; L440-H443 PolarHBondContact O-N 2.99Å; L440-H443 VanDerWaalsContact O-N 3.13Å; L440-I444 WeakPolarHBondContact O-CG1 3.19Å; L440-I444 PolarHBondContact O-N 3.35Å; L440-L467 HydrophobicContact CD1-CD2 3.59Å
441	D	94.7	Very high	93.8	Very high	73 Å²	73	63.2 Å²	63.2	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-43.9	179.1	-58.5	-4.3	0	0	0	111.6	P438 H443 I444 E445	P438-D441 HydrophobicContact CB-CB 4.37Å; P438-D441 WeakPolarHBondContact CD-OD2 3.42Å; P438-D441 VanDerWaalsContact CG-OD2 3.31Å; P438-D441 WeakPolarHBondContact CG-OD2 3.39Å; P438-D441 PolarHBondContact O-N 2.88Å; D441-H443 PolarHBondContact O-N 2.97Å; D441-I444 PolarHBondContact O-N 3.15Å; D441-E445 PolarHBondContact O-N 2.82Å
442	L	95.7	Very high	93.8	Very high	6 Å²	6	66.5 Å²	66.5	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-37.2	175.2	-64.8	178.9	0	0	0	111.5	K430 L431 E434 R437 P438 L439 L440 E445 L446	K430-L442 HydrophobicContact CD-CD2 4.49Å; L431-L442 HydrophobicContact CD2-CD1 4.04Å; E434-L442 HydrophobicContact CB-CD2 3.61Å; E434-L442 HydrophobicContact CG-CD2 4.46Å; R437-L442 HydrophobicContact CB-CD1 4.43Å; R437-L442 HydrophobicContact CB-CD2 3.91Å; R437-L442 HydrophobicContact CB-CG 4.06Å; P438-L442 WeakPolarHBondContact O-CG 3.33Å; P438-L442 PolarHBondContact O-N 3.43Å; P438-L442 VanDerWaalsContact O-N 3.16Å; L439-L442 PolarHBondContact O-N 2.99Å; L440-L442 PolarHBondContact O-N 3.07Å; L442-E445 PolarHBondContact O-N 3.06Å; L442-L446 PolarHBondContact O-N 2.77Å
443	H	96.1	Very high	93.8	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-73	-35.3	-179.9	-155.9	-75.6	0	0	0	112.6	F402 S404 L439 L440 D441 E445 L446 N447	F402-H443 AromaticContact CE1-CD2 3.95Å; F402-H443 HydrophobicContact CZ-CB 4.13Å; F402-H443 AromaticContact CZ-CD2 3.68Å; F402-H443 AromaticContact CZ-CG 3.92Å; S404-H443 VanDerWaalsContact CB-NE2 3.34Å; S404-H443 WeakPolarHBondContact CB-NE2 2.97Å; S404-H443 PolarHBondContact OG-CE1 2.83Å; S404-H443 PolarHBondContact OG-NE2 2.84Å; L439-H443 WeakPolarHBondContact O-CB 3.27Å; L439-H443 PolarHBondContact O-N 3.39Å; L440-H443 WeakPolarHBondContact O-CB 3.34Å; L440-H443 PolarHBondContact O-N 2.99Å; L440-H443 VanDerWaalsContact O-N 3.13Å; D441-H443 PolarHBondContact O-N 2.97Å; H443-E445 VanDerWaalsContact C-N 3.33Å; H443-E445 PolarHBondContact O-N 3.4Å; H443-L446 WeakPolarHBondContact O-CB 3.29Å; H443-L446 PolarHBondContact O-N 3Å; H443-N447 PolarHBondContact CE1-OD1 3.01Å; H443-N447 PolarHBondContact ND1-OD1 3.13Å; H443-N447 VanDerWaalsContact O-CG 3.27Å; H443-N447 PolarHBondContact O-N 3.24Å
444	I	86.9	Confident	93.8	Very high	102 Å²	102	60.1 Å²	60.1	52%	0.523	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-41.9	172.1	-67	-60.5	0	0	0	111.2	L440 D441 N447 G448	L440-I444 WeakPolarHBondContact O-CG1 3.19Å; L440-I444 PolarHBondContact O-N 3.35Å; D441-I444 PolarHBondContact O-N 3.15Å; I444-N447 WeakPolarHBondContact O-CB 3.48Å; I444-N447 PolarHBondContact O-N 3.31Å; I444-G448 PolarHBondContact O-N 2.99Å
445	E	94.2	Very high	93.8	Very high	70 Å²	70	61.7 Å²	61.7	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-38.4	174.5	-70.4	-178.8	-167.2	0	0	112.6	K430 R437 D441 L442 H443 N447 G448 Y449	K430-E445 IonicContact NZ-OE2 3.49Å; K430-E445 PolarHBondContact NZ-OE2 3.3Å; R437-E445 IonicContact CZ-OE1 2.69Å; R437-E445 VanDerWaalsContact NH1-CD 3.28Å; R437-E445 IonicContact NH1-OE1 3.83Å; R437-E445 PolarHBondContact NH1-OE1 2.97Å; R437-E445 IonicContact NH1-OE2 3.16Å; R437-E445 PolarHBondContact NH1-OE2 3.39Å; R437-E445 IonicContact NH2-OE1 3.79Å; R437-E445 PolarHBondContact NH2-OE1 2.96Å; D441-E445 PolarHBondContact O-N 2.82Å; L442-E445 PolarHBondContact O-N 3.06Å; H443-E445 VanDerWaalsContact C-N 3.33Å; H443-E445 PolarHBondContact O-N 3.4Å; E445-N447 VanDerWaalsContact C-N 3.31Å; E445-N447 PolarHBondContact O-N 2.87Å; E445-G448 PolarHBondContact O-N 3.44Å; E445-Y449 PolarHBondContact O-N 2.84Å
446	L	95.5	Very high	93.9	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-44.1	172.1	179.3	151.5	0	0	0	111	Y423 C426 L427 L442 H443 G448 Y449 M450 V465	Y423-L446 HydrophobicContact CD2-CD1 4.01Å; Y423-L446 HydrophobicContact CD2-CD2 3.67Å; Y423-L446 HydrophobicContact CD2-CG 4.4Å; Y423-L446 HydrophobicContact CE2-CD1 4.1Å; Y423-L446 HydrophobicContact CE2-CD2 3.91Å; C426-L446 HydrophobicContact CB-CD1 4.21Å; C426-L446 HydrophobicContact CB-CG 4.4Å; L427-L446 HydrophobicContact CB-CD1 3.72Å; L427-L446 HydrophobicContact CD1-CD1 4.24Å; L442-L446 PolarHBondContact O-N 2.77Å; H443-L446 WeakPolarHBondContact O-CB 3.29Å; H443-L446 PolarHBondContact O-N 3Å; L446-G448 VanDerWaalsContact C-N 3.31Å; L446-G448 PolarHBondContact O-N 3.38Å; L446-Y449 PolarHBondContact O-N 3.39Å; L446-M450 HydrophobicContact CD2-CG 3.97Å; L446-M450 VanDerWaalsContact O-CG 3.31Å; L446-M450 WeakPolarHBondContact O-CG 3.05Å; L446-M450 PolarHBondContact O-N 2.76Å; L446-V465 HydrophobicContact CD2-CG1 4.3Å; L446-V465 HydrophobicContact CD2-CG2 4.14Å
447	N	88.3	Confident	93.9	Very high	44 Å²	44	59.6 Å²	59.6	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-41.9	177	-70.3	-18.8	0	0	0	111	H443 I444 E445 M450 Y451 V465	H443-N447 PolarHBondContact CE1-OD1 3.01Å; H443-N447 PolarHBondContact ND1-OD1 3.13Å; H443-N447 VanDerWaalsContact O-CG 3.27Å; H443-N447 PolarHBondContact O-N 3.24Å; I444-N447 WeakPolarHBondContact O-CB 3.48Å; I444-N447 PolarHBondContact O-N 3.31Å; E445-N447 VanDerWaalsContact C-N 3.31Å; E445-N447 PolarHBondContact O-N 2.87Å; N447-M450 PolarHBondContact O-N 3.43Å; N447-Y451 WeakPolarHBondContact O-CB 3.39Å; N447-Y451 PolarHBondContact O-N 3.04Å; N447-V465 WeakPolarHBondContact OD1-CG1 3.48Å
448	G	91.5	Very high	93.8	Very high	42 Å²	42	58.9 Å²	58.9	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-44.9	173.7	0	0	0	0	0	112.8	I444 E445 L446 Y451 D452	I444-G448 PolarHBondContact O-N 2.99Å; E445-G448 PolarHBondContact O-N 3.44Å; L446-G448 VanDerWaalsContact C-N 3.31Å; L446-G448 PolarHBondContact O-N 3.38Å; G448-Y451 PolarHBondContact O-N 3.13Å; G448-D452 PolarHBondContact O-N 3.22Å
449	Y	96.4	Very high	93.5	Very high	109 Å²	109	61.2 Å²	61.2	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-42.1	177.5	179.9	-105.7	0	0	0	112.4	L422 C426 E445 L446 Y451 D452 W453	L422-Y449 HydrophobicContact CD2-CE1 3.69Å; L422-Y449 HydrophobicContact CG-CE1 4.45Å; C426-Y449 HydrophobicContact CB-CD1 3.9Å; C426-Y449 HydrophobicContact CB-CE1 4.08Å; C426-Y449 WeakPolarHBondContact SG-CD1 3.46Å; E445-Y449 PolarHBondContact O-N 2.84Å; L446-Y449 PolarHBondContact O-N 3.39Å; Y449-Y451 VanDerWaalsContact C-N 3.33Å; Y449-Y451 PolarHBondContact O-N 3.48Å; Y449-D452 PolarHBondContact O-N 2.71Å; Y449-W453 PolarHBondContact O-N 2.99Å
450	M	94.4	Very high	93.2	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-37.6	174	-64.7	-68.8	109	0	0	111.8	L422 C426 L446 N447 W453 N454 Y463 V465	L422-M450 HydrophobicContact CB-CE 4.33Å; L422-M450 HydrophobicContact CD2-CE 3.88Å; L422-M450 HydrophobicContact CG-CE 4.47Å; C426-M450 HydrophobicContact CB-CE 4Å; L446-M450 HydrophobicContact CD2-CG 3.97Å; L446-M450 VanDerWaalsContact O-CG 3.31Å; L446-M450 WeakPolarHBondContact O-CG 3.05Å; L446-M450 PolarHBondContact O-N 2.76Å; N447-M450 PolarHBondContact O-N 3.43Å; M450-W453 PolarHBondContact O-N 3.13Å; M450-N454 VanDerWaalsContact O-CB 3.27Å; M450-N454 WeakPolarHBondContact O-CB 3.46Å; M450-N454 PolarHBondContact O-N 2.94Å; M450-N454 PolarHBondContact O-ND2 3.08Å; M450-N454 PolarHBondContact O-OD1 2.98Å; M450-Y463 HydrophobicContact SD-CG 4.27Å; M450-V465 HydrophobicContact CB-CG2 4.25Å; M450-V465 HydrophobicContact CG-CG2 3.75Å
451	Y	91.6	Very high	93.1	Very high	184 Å²	184	67.1 Å²	67.1	72%	0.722	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-41.1	177.2	-154.8	-84.6	0	0	0	111.8	N447 G448 Y449 N454 S455	N447-Y451 WeakPolarHBondContact O-CB 3.39Å; N447-Y451 PolarHBondContact O-N 3.04Å; G448-Y451 PolarHBondContact O-N 3.13Å; Y449-Y451 VanDerWaalsContact C-N 3.33Å; Y449-Y451 PolarHBondContact O-N 3.48Å; Y451-N454 PolarHBondContact O-N 3.43Å; Y451-S455 PolarHBondContact O-N 2.93Å; Y451-S455 VanDerWaalsContact O-N 3.15Å
452	D	95.2	Very high	93.1	Very high	70 Å²	70	66.1 Å²	66.1	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-47.6	173.3	-177.9	79.5	0	0	0	111.4	G448 Y449 N454 S455 R456	G448-D452 PolarHBondContact O-N 3.22Å; Y449-D452 PolarHBondContact O-N 2.71Å; D452-N454 PolarHBondContact O-N 2.95Å; D452-S455 WeakPolarHBondContact O-CB 3.04Å; D452-S455 PolarHBondContact O-N 3.18Å; D452-S455 PolarHBondContact O-OG 2.65Å; D452-R456 VanDerWaalsContact CG-NH2 3.32Å; D452-R456 IonicContact OD1-CZ 2.77Å; D452-R456 IonicContact OD1-NE 3.57Å; D452-R456 IonicContact OD1-NH2 3.83Å; D452-R456 PolarHBondContact OD1-NH2 2.94Å; D452-R456 IonicContact OD2-CZ 3.06Å; D452-R456 IonicContact OD2-NE 3.35Å; D452-R456 PolarHBondContact OD2-NE 2.87Å; D452-R456 IonicContact OD2-NH2 3.55Å; D452-R456 PolarHBondContact OD2-NH2 3.08Å
453	W	94.8	Very high	93	Very high	78 Å²	78	66.7 Å²	66.7	30%	0.295	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-50.8	174	175.6	-94	0	0	0	111.8	L422 Y449 M450 S455 R456 V457 E461 Y463	L422-W453 HydrophobicContact CD1-CE3 4.37Å; L422-W453 HydrophobicContact CD1-CH2 4.13Å; L422-W453 HydrophobicContact CD1-CZ2 4.28Å; L422-W453 HydrophobicContact CD1-CZ3 4.18Å; L422-W453 HydrophobicContact CD2-CB 4.19Å; L422-W453 HydrophobicContact CD2-CD2 3.57Å; L422-W453 HydrophobicContact CD2-CE3 3.71Å; L422-W453 HydrophobicContact CD2-CG 3.77Å; L422-W453 HydrophobicContact CD2-CZ3 4.34Å; Y449-W453 PolarHBondContact O-N 2.99Å; M450-W453 PolarHBondContact O-N 3.13Å; W453-S455 PolarHBondContact O-N 3.09Å; W453-S455 VanDerWaalsContact O-N 3.08Å; W453-R456 PolarHBondContact O-N 3.44Å; W453-V457 HydrophobicContact CD2-CG1 4.33Å; W453-V457 HydrophobicContact CH2-CG1 4.5Å; W453-V457 HydrophobicContact CZ2-CG1 3.92Å; W453-E461 PolarHBondContact NE1-O 3.39Å; W453-E461 VanDerWaalsContact NE1-O 3.08Å; W453-Y463 AromaticContact NE1-CD2 3.89Å
454	N	93.7	Very high	92.7	Very high	19 Å²	19	72.7 Å²	72.7	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-19.8	-178.8	-71.6	-11.8	0	0	0	113.9	M450 Y451 D452 R456 K462 Y463	M450-N454 VanDerWaalsContact O-CB 3.27Å; M450-N454 WeakPolarHBondContact O-CB 3.46Å; M450-N454 PolarHBondContact O-N 2.94Å; M450-N454 PolarHBondContact O-ND2 3.08Å; M450-N454 PolarHBondContact O-OD1 2.98Å; Y451-N454 PolarHBondContact O-N 3.43Å; D452-N454 PolarHBondContact O-N 2.95Å; N454-R456 VanDerWaalsContact C-N 3.33Å; N454-K462 HydrophobicContact CB-CB 4.42Å; N454-K462 HydrophobicContact CB-CD 4.1Å; N454-K462 HydrophobicContact CB-CG 4.05Å; N454-K462 WeakPolarHBondContact O-CE 3.4Å; N454-K462 PolarHBondContact O-NZ 2.63Å; N454-K462 VanDerWaalsContact O-NZ 3.09Å; N454-K462 WeakPolarHBondContact OD1-CA 3.11Å; N454-K462 WeakPolarHBondContact OD1-CB 3.31Å; N454-Y463 PolarHBondContact ND2-O 3.2Å; N454-Y463 PolarHBondContact OD1-N 3.25Å
455	S	93.4	Very high	93	Very high	85 Å²	85	69.5 Å²	69.5	59%	0.594	34%	0.343	S	S	*	.	H	α-helix	trans	-78.5	-17.4	175.8	78.3	0	0	0	0	113.3	Y451 D452 W453	Y451-S455 PolarHBondContact O-N 2.93Å; Y451-S455 VanDerWaalsContact O-N 3.15Å; D452-S455 WeakPolarHBondContact O-CB 3.04Å; D452-S455 PolarHBondContact O-N 3.18Å; D452-S455 PolarHBondContact O-OG 2.65Å; W453-S455 PolarHBondContact O-N 3.09Å; W453-S455 VanDerWaalsContact O-N 3.08Å
456	R	95.3	Very high	92.6	Very high	176 Å²	176	70.4 Å²	70.4	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-104.7	-10.2	-173	-58.1	169.9	-169.4	-86.2	-4.5	113.8	D452 W453 N454	D452-R456 VanDerWaalsContact CG-NH2 3.32Å; D452-R456 IonicContact OD1-CZ 2.77Å; D452-R456 IonicContact OD1-NE 3.57Å; D452-R456 IonicContact OD1-NH2 3.83Å; D452-R456 PolarHBondContact OD1-NH2 2.94Å; D452-R456 IonicContact OD2-CZ 3.06Å; D452-R456 IonicContact OD2-NE 3.35Å; D452-R456 PolarHBondContact OD2-NE 2.87Å; D452-R456 IonicContact OD2-NH2 3.55Å; D452-R456 PolarHBondContact OD2-NH2 3.08Å; W453-R456 PolarHBondContact O-N 3.44Å; N454-R456 VanDerWaalsContact C-N 3.33Å
457	V	93.5	Very high	92.2	Very high	32 Å²	32	72.4 Å²	72.4	19%	0.194	35%	0.354	C	S	.	.	S	Bend	trans	-125	164.4	-170.4	-56.9	0	0	0	0	113.2	W453 E461 K462	W453-V457 HydrophobicContact CD2-CG1 4.33Å; W453-V457 HydrophobicContact CH2-CG1 4.5Å; W453-V457 HydrophobicContact CZ2-CG1 3.92Å; V457-E461 HydrophobicContact CB-CB 3.85Å; V457-E461 HydrophobicContact CG2-CB 3.85Å; V457-K462 HydrophobicContact CG2-CG 3.95Å; V457-K462 WeakPolarHBondContact O-CE 3.21Å
458	S	92.7	Very high	92	Very high	61 Å²	61	72.3 Å²	72.3	43%	0.427	35%	0.352	S	S	.	.			trans	-67.8	162.8	176.1	77.5	0	0	0	0	111.7	K460 E461 K462	S458-K460 PolarHBondContact O-N 3.12Å; S458-K460 VanDerWaalsContact O-N 3.17Å; S458-E461 WeakPolarHBondContact CB-OE2 3.18Å; S458-E461 PolarHBondContact N-OE2 3.41Å; S458-E461 PolarHBondContact O-N 3.14Å; S458-E461 PolarHBondContact OG-OE2 2.94Å; S458-K462 WeakPolarHBondContact O-CG 3.37Å
459	A	89.8	Confident	92.1	Very high	67 Å²	67	74.2 Å²	74.2	55%	0.554	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.7	-33.6	-176.8	0	0	0	0	0	114.2	E461	A459-E461 VanDerWaalsContact C-N 3.3Å; A459-E461 PolarHBondContact O-N 2.9Å
460	K	90.2	Very high	91.6	Very high	115 Å²	115	71.6 Å²	71.6	50%	0.5	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-74.2	-18.2	-179.9	-67.7	-171.3	173.8	-168.3	0	113.4	D409 S458	D409-K460 HydrophobicContact CB-CB 4.25Å; D409-K460 WeakPolarHBondContact CB-O 3.23Å; S458-K460 PolarHBondContact O-N 3.12Å; S458-K460 VanDerWaalsContact O-N 3.17Å
461	E	91.5	Very high	91.3	Very high	70 Å²	70	72.8 Å²	72.8	33%	0.327	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-99.6	5.3	-179.5	-66.3	166	95.6	0	0	113	L412 W453 V457 S458 A459	L412-E461 HydrophobicContact CD2-CB 4.4Å; L412-E461 HydrophobicContact CD2-CG 4.09Å; W453-E461 PolarHBondContact NE1-O 3.39Å; W453-E461 VanDerWaalsContact NE1-O 3.08Å; V457-E461 HydrophobicContact CB-CB 3.85Å; V457-E461 HydrophobicContact CG2-CB 3.85Å; S458-E461 WeakPolarHBondContact CB-OE2 3.18Å; S458-E461 PolarHBondContact N-OE2 3.41Å; S458-E461 PolarHBondContact O-N 3.14Å; S458-E461 PolarHBondContact OG-OE2 2.94Å; A459-E461 VanDerWaalsContact C-N 3.3Å; A459-E461 PolarHBondContact O-N 2.9Å
462	K	93.5	Very high	91.2	Very high	53 Å²	53	69.9 Å²	69.9	23%	0.23	34%	0.339	C	S	.	.			trans	-81.8	146.9	-177.8	-64.6	-173.9	-174.3	-160.2	0	112.1	N454 V457 S458 Y464	N454-K462 HydrophobicContact CB-CB 4.42Å; N454-K462 HydrophobicContact CB-CD 4.1Å; N454-K462 HydrophobicContact CB-CG 4.05Å; N454-K462 WeakPolarHBondContact O-CE 3.4Å; N454-K462 PolarHBondContact O-NZ 2.63Å; N454-K462 VanDerWaalsContact O-NZ 3.09Å; N454-K462 WeakPolarHBondContact OD1-CA 3.11Å; N454-K462 WeakPolarHBondContact OD1-CB 3.31Å; V457-K462 HydrophobicContact CG2-CG 3.95Å; V457-K462 WeakPolarHBondContact O-CE 3.21Å; S458-K462 WeakPolarHBondContact O-CG 3.37Å; K462-Y464 HydrophobicContact CB-CD2 4.46Å; K462-Y464 HydrophobicContact CB-CE2 3.81Å; K462-Y464 WeakPolarHBondContact CD-OH 3.2Å
463	Y	93.9	Very high	91.1	Very high	18 Å²	18	69.7 Å²	69.7	7%	0.071	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.1	172.4	-70.7	-93.2	0	0	0	109.1	A408 L412 L422 M450 W453 N454	A408-Y463 HydrophobicContact CB-CD1 3.79Å; A408-Y463 HydrophobicContact CB-CE1 3.85Å; A408-Y463 HydrophobicContact CB-CG 4.44Å; L412-Y463 HydrophobicContact CD1-CE2 4.24Å; L422-Y463 HydrophobicContact CB-CD2 4.16Å; L422-Y463 HydrophobicContact CB-CE2 3.78Å; M450-Y463 HydrophobicContact SD-CG 4.27Å; W453-Y463 AromaticContact NE1-CD2 3.89Å; N454-Y463 PolarHBondContact ND2-O 3.2Å; N454-Y463 PolarHBondContact OD1-N 3.25Å
464	Y	90.9	Very high	91.1	Very high	127 Å²	127	69.7 Å²	69.7	50%	0.498	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113	178.6	-61.9	-81	0	0	0	109.8	C406 T407 K462	C406-Y464 CarbonylContact C-O 3.52Å; C406-Y464 VanDerWaalsContact CA-O 3.28Å; C406-Y464 WeakPolarHBondContact CA-O 3.2Å; T407-Y464 PolarHBondContact N-O 3.08Å; T407-Y464 PolarHBondContact O-N 3.46Å; K462-Y464 HydrophobicContact CB-CD2 4.46Å; K462-Y464 HydrophobicContact CB-CE2 3.81Å; K462-Y464 WeakPolarHBondContact CD-OH 3.2Å
465	V	92.4	Very high	91.2	Very high	35 Å²	35	69 Å²	69	21%	0.212	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	180	-173.3	0	0	0	0	110.3	C406 Y423 L446 N447 M450	C406-V465 HydrophobicContact CB-CG2 4.2Å; Y423-V465 HydrophobicContact CD2-CG2 4.02Å; Y423-V465 HydrophobicContact CE2-CG1 4.38Å; L446-V465 HydrophobicContact CD2-CG1 4.3Å; L446-V465 HydrophobicContact CD2-CG2 4.14Å; N447-V465 WeakPolarHBondContact OD1-CG1 3.48Å; M450-V465 HydrophobicContact CB-CG2 4.25Å; M450-V465 HydrophobicContact CG-CG2 3.75Å
466	W	87.3	Confident	91.4	Very high	89 Å²	89	65.4 Å²	65.4	34%	0.337	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.1	174.3	-177.9	82.4	0	0	0	109.8	W403 L405 Q468	W403-W466 AromaticContact CD1-CE3 3.93Å; W403-W466 AromaticContact CD1-CZ3 3.52Å; W403-W466 HydrophobicContact CG-CZ3 4.49Å; W403-W466 AromaticContact NE1-CZ3 3.99Å; L405-W466 HydrophobicContact CB-CE3 4.2Å; L405-W466 PolarHBondContact N-O 3Å; L405-W466 PolarHBondContact O-N 2.84Å; W466-Q468 HydrophobicContact CE3-CB 4.3Å; W466-Q468 HydrophobicContact CH2-CB 3.45Å; W466-Q468 VanDerWaalsContact CH2-CB 3.45Å; W466-Q468 HydrophobicContact CH2-CG 3.97Å; W466-Q468 HydrophobicContact CZ2-CB 3.84Å; W466-Q468 HydrophobicContact CZ2-CG 4.24Å; W466-Q468 HydrophobicContact CZ3-CB 3.67Å
467	L	86.7	Confident	91.4	Very high	43 Å²	43	57.1 Å²	57.1	23%	0.225	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	-178.9	178.7	67.2	0	0	0	110.1	F402 W403 L440	F402-L467 HydrophobicContact CD1-CD1 4.33Å; F402-L467 HydrophobicContact CD2-CD1 4.2Å; F402-L467 HydrophobicContact CE1-CD1 3.73Å; F402-L467 HydrophobicContact CE2-CD1 3.61Å; F402-L467 HydrophobicContact CE2-CD2 4.34Å; F402-L467 HydrophobicContact CZ-CD1 3.33Å; F402-L467 HydrophobicContact CZ-CD2 4.39Å; W403-L467 WeakPolarHBondContact O-CA 3.48Å; L440-L467 HydrophobicContact CD1-CD2 3.59Å
468	Q	84.1	Confident	91.3	Very high	43 Å²	43	56.3 Å²	56.3	20%	0.201	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.3	169.4	-166.2	-173.6	33.1	0	0	109.3	R337 W403 W466	R337-Q468 VanDerWaalsContact CZ-OE1 3.31Å; W403-Q468 WeakPolarHBondContact CA-O 3.36Å; W403-Q468 HydrophobicContact CB-CB 4.48Å; W403-Q468 VanDerWaalsContact CB-O 3.3Å; W403-Q468 WeakPolarHBondContact CB-O 3.07Å; W403-Q468 PolarHBondContact N-O 3.4Å; W403-Q468 PolarHBondContact O-N 3.38Å; W466-Q468 HydrophobicContact CE3-CB 4.3Å; W466-Q468 HydrophobicContact CH2-CB 3.45Å; W466-Q468 VanDerWaalsContact CH2-CB 3.45Å; W466-Q468 HydrophobicContact CH2-CG 3.97Å; W466-Q468 HydrophobicContact CZ2-CB 3.84Å; W466-Q468 HydrophobicContact CZ2-CG 4.24Å; W466-Q468 HydrophobicContact CZ3-CB 3.67Å
469	H	92.1	Very high	91	Very high	82 Å²	82	58.2 Å²	58.2	38%	0.38	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.7	176.6	74.5	79.3	0	0	0	113	F401 F402 L471	F401-H469 CarbonylContact O-C 3.48Å; F401-H469 VanDerWaalsContact O-CA 3.23Å; F401-H469 WeakPolarHBondContact O-CA 3.39Å; F401-H469 VanDerWaalsContact O-CB 3.3Å; F401-H469 WeakPolarHBondContact O-CB 3.36Å; F402-H469 HydrophobicContact CD2-CB 4.13Å; H469-L471 HydrophobicContact CB-CG 4.17Å; H469-L471 PolarHBondContact ND1-N 3.24Å
470	T	86.9	Confident	89.8	Confident	53 Å²	53	58.9 Å²	58.9	33%	0.325	27%	0.268	S	S	.	.			trans	-125.1	25.4	172.5	57	0	0	0	0	110.8	E398 D400 F401	E398-T470 WeakPolarHBondContact O-CB 3.35Å; E398-T470 PolarHBondContact O-OG1 3.46Å; D400-T470 PolarHBondContact N-O 3.38Å; D400-T470 PolarHBondContact N-OG1 3.5Å; F401-T470 PolarHBondContact N-OG1 2.9Å; F401-T470 PolarHBondContact O-N 2.47Å
471	L	88.7	Confident	89.7	Confident	29 Å²	29	56.1 Å²	56.1	15%	0.152	26%	0.256	C	S	.	.			trans	-56.9	136.6	172.1	-60.5	-176.7	0	0	0	110.8	Y244 P352 F402 H469 L475	Y244-L471 HydrophobicContact CE2-CB 4.28Å; Y244-L471 HydrophobicContact CE2-CD2 3.94Å; Y244-L471 WeakPolarHBondContact OH-CA 3.47Å; P352-L471 HydrophobicContact CB-CD2 4.41Å; F402-L471 HydrophobicContact CB-CD1 4.38Å; F402-L471 HydrophobicContact CB-CD2 4.28Å; F402-L471 HydrophobicContact CB-CG 4.41Å; F402-L471 HydrophobicContact CD2-CD1 3.83Å; H469-L471 HydrophobicContact CB-CG 4.17Å; H469-L471 PolarHBondContact ND1-N 3.24Å; L471-L475 HydrophobicContact CD1-CB 4.03Å; L471-L475 HydrophobicContact CD1-CD2 3.85Å; L471-L475 HydrophobicContact CD2-CD2 4.11Å
472	R	88.9	Confident	89.6	Confident	123 Å²	123	55.4 Å²	55.4	46%	0.464	25%	0.253	S	S	.	.			trans	-109.3	-8.2	-179.8	-60.1	177.8	-65.8	138.2	-1.5	113	Y244 D400	Y244-R472 PolarHBondContact OH-N 2.79Å; D400-R472 VanDerWaalsContact CG-NH2 3.33Å; D400-R472 IonicContact OD1-CZ 3.34Å; D400-R472 IonicContact OD1-NE 2.81Å; D400-R472 PolarHBondContact OD1-NE 3.26Å; D400-R472 IonicContact OD1-NH2 3.04Å; D400-R472 PolarHBondContact OD1-NH2 3.39Å; D400-R472 IonicContact OD2-CZ 3.56Å; D400-R472 IonicContact OD2-NE 3.5Å; D400-R472 PolarHBondContact OD2-NE 2.55Å; D400-R472 IonicContact OD2-NH2 2.81Å; D400-R472 PolarHBondContact OD2-NH2 3.37Å
473	K	93.2	Very high	89.4	Confident	66 Å²	66	55.5 Å²	55.5	29%	0.287	25%	0.254	S	S	.	.	S	Bend	trans	-141.4	161.5	-173.1	-53	-175.3	-168.7	-123	0	110	E242 Y244 L475	E242-K473 HydrophobicContact CB-CB 4.32Å; E242-K473 HydrophobicContact CB-CD 4.18Å; E242-K473 HydrophobicContact CB-CG 3.89Å; E242-K473 CarbonylContact O-C 3.55Å; E242-K473 VanDerWaalsContact O-CA 3.28Å; E242-K473 WeakPolarHBondContact O-CA 3.32Å; E242-K473 VanDerWaalsContact O-CB 3.25Å; E242-K473 WeakPolarHBondContact O-CB 3.41Å; E242-K473 WeakPolarHBondContact OE2-CE 3.41Å; E242-K473 IonicContact OE2-NZ 2.7Å; E242-K473 PolarHBondContact OE2-NZ 3.47Å; Y244-K473 HydrophobicContact CD1-CB 4.32Å; Y244-K473 HydrophobicContact CD1-CD 4.06Å; Y244-K473 HydrophobicContact CD1-CG 4.5Å; Y244-K473 HydrophobicContact CD2-CB 3.65Å; Y244-K473 HydrophobicContact CE1-CB 4.28Å; Y244-K473 HydrophobicContact CE1-CD 4.17Å; Y244-K473 HydrophobicContact CE1-CG 4.28Å; Y244-K473 HydrophobicContact CE2-CB 3.6Å; Y244-K473 HydrophobicContact CE2-CG 4.39Å; Y244-K473 WeakPolarHBondContact CE2-O 3.15Å; Y244-K473 HydrophobicContact CG-CB 4.02Å; Y244-K473 HydrophobicContact CG-CD 4.38Å; K473-L475 PolarHBondContact O-N 2.73Å
474	K	94.4	Very high	89.2	Confident	78 Å²	78	57.7 Å²	57.7	34%	0.339	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-62.6	125.5	171.2	-165.9	172.7	-162	159.5	0	110	E241 E242 R243 Y244 P438 I476	E241-K474 WeakPolarHBondContact OE2-CD 3.18Å; E241-K474 IonicContact OE2-NZ 2.7Å; E241-K474 PolarHBondContact OE2-NZ 2.66Å; E242-K474 PolarHBondContact O-N 3.05Å; R243-K474 WeakPolarHBondContact CA-O 3.14Å; R243-K474 HydrophobicContact CB-CB 4.45Å; R243-K474 HydrophobicContact CG-CB 4.42Å; R243-K474 WeakPolarHBondContact CG-O 3.46Å; Y244-K474 PolarHBondContact N-O 3.17Å; P438-K474 HydrophobicContact CB-CG 4.45Å; P438-K474 HydrophobicContact CG-CD 4.38Å; P438-K474 HydrophobicContact CG-CG 4.25Å; K474-I476 HydrophobicContact CD-CD1 4.22Å; K474-I476 HydrophobicContact CG-CD1 4.24Å; K474-I476 HydrophobicContact CG-CG1 4.47Å
475	L	96.6	Very high	89.1	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	25%	0.25	C	C	.	.			trans	-111.3	119.4	-179.6	178.9	58.6	0	0	0	110.1	Y244 M246 P352 M354 P438 L439 L471 K473 L477	Y244-L475 HydrophobicContact CD2-CB 3.9Å; Y244-L475 HydrophobicContact CD2-CD1 4.07Å; Y244-L475 HydrophobicContact CE2-CB 4.34Å; Y244-L475 HydrophobicContact CG-CD1 4.47Å; M246-L475 HydrophobicContact SD-CD1 4.22Å; P352-L475 HydrophobicContact CB-CD1 3.76Å; P352-L475 HydrophobicContact CB-CD2 3.89Å; P352-L475 HydrophobicContact CB-CG 4.47Å; P352-L475 HydrophobicContact CG-CD1 3.71Å; M354-L475 HydrophobicContact CG-CD2 4.09Å; M354-L475 HydrophobicContact SD-CD2 3.87Å; P438-L475 CarbonylContact C-O 3.51Å; P438-L475 VanDerWaalsContact CA-O 3.31Å; P438-L475 WeakPolarHBondContact CA-O 3.35Å; L439-L475 HydrophobicContact CB-CD2 4.43Å; L439-L475 HydrophobicContact CB-CG 4.33Å; L439-L475 HydrophobicContact CD2-CD2 3.77Å; L439-L475 HydrophobicContact CD2-CG 4.45Å; L439-L475 PolarHBondContact N-O 3.49Å; L471-L475 HydrophobicContact CD1-CB 4.03Å; L471-L475 HydrophobicContact CD1-CD2 3.85Å; L471-L475 HydrophobicContact CD2-CD2 4.11Å; K473-L475 PolarHBondContact O-N 2.73Å; L475-L477 HydrophobicContact CD1-CD2 3.94Å; L475-L477 HydrophobicContact CG-CD2 4.08Å
476	I	96.9	Very high	88.8	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.041	25%	0.253	C	S	.	.			trans	-133.1	126.2	178	-68.4	162.1	0	0	0	107.2	R243 R435 K436 P438 K474 S478	R243-I476 VanDerWaalsContact CZ-CD1 3.41Å; R243-I476 VanDerWaalsContact NH1-CD1 3.29Å; R435-I476 WeakPolarHBondContact O-CG2 3.48Å; K436-I476 WeakPolarHBondContact O-CG2 3.44Å; P438-I476 HydrophobicContact CB-CG1 4.3Å; P438-I476 HydrophobicContact CG-CD1 4.34Å; P438-I476 HydrophobicContact CG-CG1 4.15Å; K474-I476 HydrophobicContact CD-CD1 4.22Å; K474-I476 HydrophobicContact CG-CD1 4.24Å; K474-I476 HydrophobicContact CG-CG1 4.47Å; I476-S478 PolarHBondContact O-N 3.44Å
477	L	95.6	Very high	89	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	25%	0.246	C	C	.	.	S	Bend	trans	-86	54.8	-172.7	-51.9	-172.7	0	0	0	112	M246 L274 M354 L431 L439 L475	M246-L477 HydrophobicContact CE-CD2 4.12Å; L274-L477 HydrophobicContact CD1-CB 4.2Å; L274-L477 HydrophobicContact CD1-CD1 4.34Å; M354-L477 HydrophobicContact CE-CD2 3.98Å; M354-L477 HydrophobicContact SD-CD1 4.04Å; M354-L477 HydrophobicContact SD-CD2 3.47Å; M354-L477 WeakPolarHBondContact SD-CD2 3.5Å; M354-L477 HydrophobicContact SD-CG 4.39Å; L431-L477 HydrophobicContact CD2-CD1 3.87Å; L439-L477 HydrophobicContact CD1-CD1 4.1Å; L439-L477 HydrophobicContact CD2-CD1 4.46Å; L475-L477 HydrophobicContact CD1-CD2 3.94Å; L475-L477 HydrophobicContact CG-CD2 4.08Å
478	S	91.5	Very high	89.1	Confident	14 Å²	14	52.8 Å²	52.8	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-145.1	152.8	175.9	76.3	0	0	0	0	110.8	I476 T480	I476-S478 PolarHBondContact O-N 3.44Å; S478-T480 PolarHBondContact O-N 3.13Å; S478-T480 VanDerWaalsContact O-N 3.15Å
479	Y	85	Confident	89.5	Confident	102 Å²	102	53.7 Å²	53.7	40%	0.4	25%	0.252	S	S	.	.			trans	-51.6	119.2	170.3	-65.2	-78	0	0	0	111.6	M246 S248 K249 L251	M246-Y479 VanDerWaalsContact O-CA 3.26Å; M246-Y479 WeakPolarHBondContact O-CA 3.35Å; S248-Y479 VanDerWaalsContact O-CE1 3.27Å; S248-Y479 WeakPolarHBondContact O-CE1 3.4Å; K249-Y479 HydrophobicContact CD-CE1 4.33Å; K249-Y479 HydrophobicContact CG-CE1 3.51Å; L251-Y479 HydrophobicContact CD2-CD1 3.92Å; L251-Y479 HydrophobicContact CD2-CE1 3.79Å; L251-Y479 HydrophobicContact CG-CE1 4.16Å
480	T	64.7	Low	89.3	Confident	81 Å²	81	51.1 Å²	51.1	50%	0.497	24%	0.24	S	C	.	.			trans	-145.5	0	174.9	46.7	0	0	0	0	113.6	R243 M246 K247 S478	R243-T480 VanDerWaalsContact CZ-CB 3.48Å; R243-T480 PolarHBondContact NE-OG1 2.8Å; R243-T480 VanDerWaalsContact NE-OG1 3.12Å; R243-T480 VanDerWaalsContact NH2-CB 3.35Å; R243-T480 PolarHBondContact NH2-OG1 3.16Å; M246-T480 PolarHBondContact O-N 3.35Å; M246-T480 VanDerWaalsContact O-N 3.11Å; K247-T480 WeakPolarHBondContact CE-O 3.45Å; K247-T480 WeakPolarHBondContact CE-OXT 3.22Å; K247-T480 WeakPolarHBondContact CG-O 2.89Å; S478-T480 PolarHBondContact O-N 3.13Å; S478-T480 VanDerWaalsContact O-N 3.15Å

Retrieved 480 of 480 residues in 93.4 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).