A0A077Z2B7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2B7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.9	Very low	60	Low	134 Å²	134	66.7 Å²	66.7	66%	0.66	34%	0.341	S	S	*	.				0	-67	0	-59.7	-42	-152.2	0	0	114	K3 L4 N5 L71	M1-K3 PolarHBondContact O-N 3.44Å; M1-L4 WeakPolarHBondContact O-CA 3.13Å; M1-L4 VanDerWaalsContact O-CB 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 HydrophobicContact SD-CD2 4.16Å; M1-N5 PolarHBondContact O-N 3.13Å; M1-L71 HydrophobicContact CE-CD2 3.68Å; M1-L71 HydrophobicContact CE-CG 4.35Å
2	F	47.6	Very low	60.6	Low	91 Å²	91	61.8 Å²	61.8	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-54	-177.9	179.5	-100.3	0	0	0	113.9	L4 N5 V6 L137 V140	F2-L4 PolarHBondContact O-N 3.13Å; F2-N5 PolarHBondContact O-N 3.48Å; F2-V6 HydrophobicContact CD1-CG2 4.38Å; F2-V6 HydrophobicContact CE1-CG2 4Å; F2-V6 HydrophobicContact CE2-CG2 4.39Å; F2-V6 HydrophobicContact CZ-CG2 4.01Å; F2-V6 WeakPolarHBondContact O-CG2 3.43Å; F2-V6 PolarHBondContact O-N 3.23Å; F2-L137 HydrophobicContact CE2-CD1 3.92Å; F2-V140 HydrophobicContact CB-CG1 4.38Å; F2-V140 HydrophobicContact CD2-CG1 3.83Å
3	K	56.2	Low	61.2	Low	177 Å²	177	64.7 Å²	64.7	77%	0.77	33%	0.33	S	S	*	.	H	α-helix	trans	-56.8	-33.9	175.7	-66.7	-175.5	178.4	-178.3	0	112.5	M1 V6 S7	M1-K3 PolarHBondContact O-N 3.44Å; K3-V6 PolarHBondContact O-N 3.1Å; K3-S7 PolarHBondContact O-N 3.08Å; K3-S7 PolarHBondContact O-OG 3.21Å; K3-S7 VanDerWaalsContact O-OG 3.11Å
4	L	58.6	Low	61.9	Low	29 Å²	29	67 Å²	67	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-70.4	-45.2	179.9	-170.2	67.3	0	0	0	111.6	M1 F2 V6 S7 I8 W63 I67	M1-L4 WeakPolarHBondContact O-CA 3.13Å; M1-L4 VanDerWaalsContact O-CB 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 HydrophobicContact SD-CD2 4.16Å; F2-L4 PolarHBondContact O-N 3.13Å; L4-V6 VanDerWaalsContact C-N 3.3Å; L4-V6 PolarHBondContact O-N 3.44Å; L4-S7 PolarHBondContact O-N 3.14Å; L4-I8 HydrophobicContact CG-CD1 4.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å; L4-I8 PolarHBondContact O-N 3.38Å; L4-W63 HydrophobicContact CD1-CE3 3.54Å; L4-W63 HydrophobicContact CD1-CH2 4.34Å; L4-W63 HydrophobicContact CD1-CZ3 3.3Å; L4-I67 HydrophobicContact CD1-CD1 4.49Å; L4-I67 HydrophobicContact CD2-CD1 3.44Å; L4-I67 VanDerWaalsContact CD2-CD1 3.44Å; L4-I67 HydrophobicContact CD2-CG1 3.57Å; L4-I67 HydrophobicContact CG-CD1 3.93Å; L4-I67 HydrophobicContact CG-CG1 4.49Å
5	N	56.3	Low	62.6	Low	22 Å²	22	62.5 Å²	62.5	12%	0.118	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-36.3	174	-76.7	-13.4	0	0	0	111.8	M1 F2 I8 S9	M1-N5 PolarHBondContact O-N 3.13Å; F2-N5 PolarHBondContact O-N 3.48Å; N5-I8 PolarHBondContact O-N 3.47Å; N5-S9 VanDerWaalsContact O-CB 3.31Å; N5-S9 WeakPolarHBondContact O-CB 3.4Å; N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.38Å
6	V	59.1	Low	63.1	Low	50 Å²	50	59.5 Å²	59.5	30%	0.303	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-47.9	172.5	173.6	0	0	0	0	110.5	F2 K3 L4 I8 S9 I10	F2-V6 HydrophobicContact CD1-CG2 4.38Å; F2-V6 HydrophobicContact CE1-CG2 4Å; F2-V6 HydrophobicContact CE2-CG2 4.39Å; F2-V6 HydrophobicContact CZ-CG2 4.01Å; F2-V6 WeakPolarHBondContact O-CG2 3.43Å; F2-V6 PolarHBondContact O-N 3.23Å; K3-V6 PolarHBondContact O-N 3.1Å; L4-V6 VanDerWaalsContact C-N 3.3Å; L4-V6 PolarHBondContact O-N 3.44Å; V6-I8 PolarHBondContact O-N 3.24Å; V6-S9 PolarHBondContact O-N 3.29Å; V6-I10 HydrophobicContact CG1-CD1 3.81Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.37Å; V6-I10 PolarHBondContact O-N 3.19Å
7	S	65.6	Low	63.7	Low	60 Å²	60	59.2 Å²	59.2	42%	0.42	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-44.3	176.5	-62.1	0	0	0	0	112.7	K3 L4 I10 L11	K3-S7 PolarHBondContact O-N 3.08Å; K3-S7 PolarHBondContact O-OG 3.21Å; K3-S7 VanDerWaalsContact O-OG 3.11Å; L4-S7 PolarHBondContact O-N 3.14Å; S7-I10 PolarHBondContact O-N 3.42Å; S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 WeakPolarHBondContact O-CG 3.29Å; S7-L11 PolarHBondContact O-N 3.33Å
8	I	64.4	Low	64.2	Low	20 Å²	20	56.4 Å²	56.4	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-46.5	176	-71.4	166.7	0	0	0	110.3	L4 N5 V6 I10 L11 Y12 L60 I67	L4-I8 HydrophobicContact CG-CD1 4.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å; L4-I8 PolarHBondContact O-N 3.38Å; N5-I8 PolarHBondContact O-N 3.47Å; V6-I8 PolarHBondContact O-N 3.24Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.94Å; I8-L11 PolarHBondContact O-N 2.8Å; I8-Y12 WeakPolarHBondContact O-CB 3.4Å; I8-Y12 PolarHBondContact O-N 3.01Å; I8-L60 HydrophobicContact CG1-CD1 4.47Å; I8-L60 HydrophobicContact CG2-CD1 4.06Å; I8-I67 HydrophobicContact CD1-CD1 3.6Å
9	S	63.5	Low	64.6	Low	24 Å²	24	53.4 Å²	53.4	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-42.6	178.6	-56.7	0	0	0	0	111.5	N5 V6 Y12 I13 P133	N5-S9 VanDerWaalsContact O-CB 3.31Å; N5-S9 WeakPolarHBondContact O-CB 3.4Å; N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.38Å; V6-S9 PolarHBondContact O-N 3.29Å; S9-Y12 PolarHBondContact O-N 3.23Å; S9-I13 WeakPolarHBondContact O-CD1 3.49Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.37Å; S9-P133 WeakPolarHBondContact OG-CB 3.32Å
10	I	69.1	Low	64.9	Low	93 Å²	93	54.7 Å²	54.7	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-49	177.6	-66.7	165.2	0	0	0	110.9	V6 S7 I8 Y12 I13 L14	V6-I10 HydrophobicContact CG1-CD1 3.81Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.37Å; V6-I10 PolarHBondContact O-N 3.19Å; S7-I10 PolarHBondContact O-N 3.42Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.94Å; I10-Y12 PolarHBondContact O-N 3.37Å; I10-I13 PolarHBondContact O-N 3.37Å; I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.1Å
11	L	70.3	Confident	65.4	Low	34 Å²	34	57.6 Å²	57.6	18%	0.178	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-41	176.6	-75.8	171.1	0	0	0	111.1	S7 I8 L14 I15	S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 WeakPolarHBondContact O-CG 3.29Å; S7-L11 PolarHBondContact O-N 3.33Å; I8-L11 PolarHBondContact O-N 2.8Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-I15 WeakPolarHBondContact O-CB 3.35Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.26Å; L11-I15 PolarHBondContact O-N 3.06Å
12	Y	67.1	Low	66.6	Low	7 Å²	7	51.2 Å²	51.2	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-42.9	179.9	-163.8	-83.8	0	0	0	112.6	I8 S9 I10 L14 I15 V16 L60 H89 L125 S126 L129 L130	I8-Y12 WeakPolarHBondContact O-CB 3.4Å; I8-Y12 PolarHBondContact O-N 3.01Å; S9-Y12 PolarHBondContact O-N 3.23Å; I10-Y12 PolarHBondContact O-N 3.37Å; Y12-L14 VanDerWaalsContact C-N 3.31Å; Y12-L14 PolarHBondContact O-N 3.33Å; Y12-I15 PolarHBondContact O-N 3.23Å; Y12-V16 HydrophobicContact CD1-CG2 3.95Å; Y12-V16 HydrophobicContact CE1-CG2 3.85Å; Y12-V16 VanDerWaalsContact O-CG2 3.24Å; Y12-V16 WeakPolarHBondContact O-CG2 3.45Å; Y12-V16 PolarHBondContact O-N 3.35Å; Y12-L60 HydrophobicContact CD2-CD2 4.23Å; Y12-H89 AromaticContact CD2-CE1 3.67Å; Y12-H89 AromaticContact CE2-CE1 2.97Å; Y12-H89 WeakPolarHBondContact CE2-CE1 3.24Å; Y12-H89 AromaticContact CE2-ND1 3.55Å; Y12-H89 AromaticContact CE2-NE2 3.6Å; Y12-H89 AromaticContact CZ-CE1 3.52Å; Y12-H89 AromaticContact CZ-NE2 3.67Å; Y12-H89 PolarHBondContact OH-NE2 3.36Å; Y12-L125 PolarHBondContact OH-O 2.96Å; Y12-S126 WeakPolarHBondContact CE1-O 3.17Å; Y12-S126 WeakPolarHBondContact OH-CA 3.47Å; Y12-S126 PolarHBondContact OH-O 2.84Å; Y12-L129 HydrophobicContact CE2-CB 4.27Å; Y12-L129 VanDerWaalsContact OH-CA 3.24Å; Y12-L129 WeakPolarHBondContact OH-CA 3.49Å; Y12-L129 WeakPolarHBondContact OH-CB 3.42Å; Y12-L129 PolarHBondContact OH-N 3Å; Y12-L130 HydrophobicContact CD1-CD1 3.81Å; Y12-L130 HydrophobicContact CE1-CB 3.9Å; Y12-L130 HydrophobicContact CE1-CD1 3.79Å; Y12-L130 HydrophobicContact CE1-CG 4.33Å; Y12-L130 PolarHBondContact OH-N 2.74Å; Y12-L130 VanDerWaalsContact OH-N 3.12Å
13	I	68.6	Low	67.8	Low	100 Å²	100	48.3 Å²	48.3	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-42.6	172.4	-70.5	162.3	0	0	0	110.6	S9 I10 V16 A17	S9-I13 WeakPolarHBondContact O-CD1 3.49Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.37Å; I10-I13 PolarHBondContact O-N 3.37Å; I13-V16 PolarHBondContact O-N 3.45Å; I13-A17 WeakPolarHBondContact O-CB 3.3Å; I13-A17 PolarHBondContact O-N 3.09Å
14	L	71.8	Confident	68.6	Low	97 Å²	97	44.2 Å²	44.2	51%	0.508	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-42	177	-70.6	172.9	0	0	0	111.9	I10 L11 Y12 A17 A18	I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.1Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 2.85Å; Y12-L14 VanDerWaalsContact C-N 3.31Å; Y12-L14 PolarHBondContact O-N 3.33Å; L14-A17 PolarHBondContact O-N 3.5Å; L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.72Å
15	I	72.4	Confident	69.1	Low	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-47.6	175.8	-73.2	167.5	0	0	0	110.8	L11 Y12 A17 A18 S19 C56 L60 H93	L11-I15 WeakPolarHBondContact O-CB 3.35Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.26Å; L11-I15 PolarHBondContact O-N 3.06Å; Y12-I15 PolarHBondContact O-N 3.23Å; I15-A17 VanDerWaalsContact C-N 3.33Å; I15-A17 PolarHBondContact O-N 2.86Å; I15-A18 PolarHBondContact O-N 2.95Å; I15-S19 PolarHBondContact O-N 3.42Å; I15-S19 PolarHBondContact O-OG 3.13Å; I15-C56 HydrophobicContact CD1-CB 3.83Å; I15-C56 HydrophobicContact CG1-CB 3.49Å; I15-C56 VanDerWaalsContact CG1-CB 3.49Å; I15-L60 HydrophobicContact CD1-CB 4.42Å; I15-L60 HydrophobicContact CD1-CD2 3.93Å; I15-H93 WeakPolarHBondContact CG2-CE1 3.48Å; I15-H93 VanDerWaalsContact CG2-ND1 3.3Å; I15-H93 WeakPolarHBondContact CG2-ND1 3.45Å; I15-H93 WeakPolarHBondContact CG2-NE2 3.22Å
16	V	69.8	Low	69.7	Low	14 Å²	14	42.4 Å²	42.4	9%	0.085	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-48	176.2	173.7	0	0	0	0	110.4	Y12 I13 A18 S19 L20 L127 L130	Y12-V16 HydrophobicContact CD1-CG2 3.95Å; Y12-V16 HydrophobicContact CE1-CG2 3.85Å; Y12-V16 VanDerWaalsContact O-CG2 3.24Å; Y12-V16 WeakPolarHBondContact O-CG2 3.45Å; Y12-V16 PolarHBondContact O-N 3.35Å; I13-V16 PolarHBondContact O-N 3.45Å; V16-A18 PolarHBondContact O-N 3.44Å; V16-S19 PolarHBondContact O-N 3.39Å; V16-L20 HydrophobicContact CG1-CD1 3.86Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.09Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.01Å; V16-L127 HydrophobicContact CG1-CD2 4.31Å; V16-L130 HydrophobicContact CG2-CD1 4.5Å
17	A	74.1	Confident	70.1	Confident	55 Å²	55	44.5 Å²	44.5	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-42.9	179.4	0	0	0	0	0	111.7	I13 L14 I15 L20 Y21	I13-A17 WeakPolarHBondContact O-CB 3.3Å; I13-A17 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.5Å; I15-A17 VanDerWaalsContact C-N 3.33Å; I15-A17 PolarHBondContact O-N 2.86Å; A17-L20 PolarHBondContact O-N 3.2Å; A17-Y21 VanDerWaalsContact O-CB 3.3Å; A17-Y21 WeakPolarHBondContact O-CB 3.42Å; A17-Y21 PolarHBondContact O-N 3.25Å
18	A	72.8	Confident	70.2	Confident	8 Å²	8	48.5 Å²	48.5	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-48	175.9	0	0	0	0	0	111.6	L14 I15 V16 L20 Y21 L22	L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.72Å; I15-A18 PolarHBondContact O-N 2.95Å; V16-A18 PolarHBondContact O-N 3.44Å; A18-L20 PolarHBondContact O-N 3.31Å; A18-Y21 PolarHBondContact O-N 3.2Å; A18-L22 VanDerWaalsContact O-CB 3.32Å; A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 VanDerWaalsContact O-CG 3.26Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 3.47Å
19	S	71.2	Confident	70.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-42.9	177.9	-65.7	0	0	0	0	112.2	I15 V16 F23 Q53 S122	I15-S19 PolarHBondContact O-N 3.42Å; I15-S19 PolarHBondContact O-OG 3.13Å; V16-S19 PolarHBondContact O-N 3.39Å; S19-F23 VanDerWaalsContact O-CB 3.23Å; S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 2.98Å; S19-Q53 PolarHBondContact OG-NE2 3.18Å; S19-S122 PolarHBondContact OG-OG 3.45Å
20	L	71.3	Confident	70.4	Confident	79 Å²	79	48.4 Å²	48.4	41%	0.414	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-40.3	177.1	-71.5	174.9	0	0	0	112.3	V16 A17 A18 F23 Q24 A123	V16-L20 HydrophobicContact CG1-CD1 3.86Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.09Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.01Å; A17-L20 PolarHBondContact O-N 3.2Å; A18-L20 PolarHBondContact O-N 3.31Å; L20-F23 WeakPolarHBondContact O-CB 3.48Å; L20-F23 PolarHBondContact O-N 2.93Å; L20-Q24 WeakPolarHBondContact O-CB 3.46Å; L20-Q24 PolarHBondContact O-N 3.49Å; L20-A123 HydrophobicContact CD2-CB 3.89Å; L20-A123 HydrophobicContact CG-CB 4.36Å
21	Y	74.9	Confident	70.1	Confident	115 Å²	115	50.6 Å²	50.6	45%	0.451	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-42.1	177.6	-168.1	-85.2	0	0	0	111.8	A17 A18 Q24 S25 L46 L49	A17-Y21 VanDerWaalsContact O-CB 3.3Å; A17-Y21 WeakPolarHBondContact O-CB 3.42Å; A17-Y21 PolarHBondContact O-N 3.25Å; A18-Y21 PolarHBondContact O-N 3.2Å; Y21-Q24 PolarHBondContact O-N 3.08Å; Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.28Å; Y21-S25 PolarHBondContact O-N 2.69Å; Y21-S25 PolarHBondContact O-OG 2.83Å; Y21-L46 HydrophobicContact CD1-CD2 4.4Å; Y21-L46 HydrophobicContact CE1-CD2 4.1Å; Y21-L49 HydrophobicContact CD1-CD1 3.36Å; Y21-L49 HydrophobicContact CE1-CD1 3.5Å; Y21-L49 HydrophobicContact CG-CD1 4.31Å
22	L	74.5	Confident	69.6	Low	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-42.1	174.9	-72.8	167.4	0	0	0	110.8	A18 Q24 S25 C26 L46 L49 Q53	A18-L22 VanDerWaalsContact O-CB 3.32Å; A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 VanDerWaalsContact O-CG 3.26Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 3.47Å; L22-Q24 PolarHBondContact O-N 3.34Å; L22-S25 PolarHBondContact O-N 3.35Å; L22-C26 VanDerWaalsContact O-CB 3.23Å; L22-C26 WeakPolarHBondContact O-CB 3.5Å; L22-C26 PolarHBondContact O-N 3.4Å; L22-C26 PolarHBondContact O-SG 2.98Å; L22-L46 HydrophobicContact CD2-CD2 4.25Å; L22-L49 HydrophobicContact CD1-CB 4.43Å; L22-L49 HydrophobicContact CD2-CB 3.98Å; L22-L49 HydrophobicContact CG-CB 4.28Å; L22-Q53 HydrophobicContact CD1-CB 4.39Å
23	F	71.5	Confident	69	Low	30 Å²	30	53.6 Å²	53.6	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-55.7	-52	172	173.5	-103.4	0	0	0	111.5	S19 L20 S25 R27 T116 N119 E120	S19-F23 VanDerWaalsContact O-CB 3.23Å; S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 2.98Å; L20-F23 WeakPolarHBondContact O-CB 3.48Å; L20-F23 PolarHBondContact O-N 2.93Å; F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.06Å; F23-R27 WeakPolarHBondContact O-CB 3.45Å; F23-R27 PolarHBondContact O-N 2.9Å; F23-T116 HydrophobicContact CD2-CG2 3.74Å; F23-T116 WeakPolarHBondContact CD2-O 3.42Å; F23-T116 HydrophobicContact CE2-CG2 3.55Å; F23-N119 HydrophobicContact CB-CB 3.9Å; F23-N119 HydrophobicContact CD2-CB 4.5Å; F23-E120 HydrophobicContact CD2-CB 3.94Å; F23-E120 HydrophobicContact CE2-CB 3.75Å; F23-E120 HydrophobicContact CE2-CG 4.09Å
24	Q	72.9	Confident	68.5	Low	92 Å²	92	55.3 Å²	55.3	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-40.3	-179.6	-169.9	179.3	23.4	0	0	111.6	L20 Y21 L22 R28	L20-Q24 WeakPolarHBondContact O-CB 3.46Å; L20-Q24 PolarHBondContact O-N 3.49Å; Y21-Q24 PolarHBondContact O-N 3.08Å; L22-Q24 PolarHBondContact O-N 3.34Å; Q24-R28 VanDerWaalsContact NE2-NH2 3.17Å; Q24-R28 WeakPolarHBondContact O-CB 3.34Å; Q24-R28 VanDerWaalsContact O-CG 3.29Å; Q24-R28 WeakPolarHBondContact O-CG 3.27Å; Q24-R28 PolarHBondContact O-N 2.81Å
25	S	70.7	Confident	67.9	Low	13 Å²	13	55 Å²	55	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-45.5	-177.5	-60.4	0	0	0	0	112.5	Y21 L22 F23 R27 R28 L29	Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.28Å; Y21-S25 PolarHBondContact O-N 2.69Å; Y21-S25 PolarHBondContact O-OG 2.83Å; L22-S25 PolarHBondContact O-N 3.35Å; F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.06Å; S25-R27 VanDerWaalsContact C-N 3.28Å; S25-R27 PolarHBondContact O-N 2.98Å; S25-R28 WeakPolarHBondContact O-CB 3.19Å; S25-R28 PolarHBondContact O-N 3.48Å; S25-R28 VanDerWaalsContact O-N 3.14Å; S25-L29 WeakPolarHBondContact O-CG 3.46Å; S25-L29 PolarHBondContact O-N 2.93Å
26	C	69	Low	66.9	Low	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-42.8	172.3	-73	0	0	0	0	110.9	L22 R28 L29 L30	L22-C26 VanDerWaalsContact O-CB 3.23Å; L22-C26 WeakPolarHBondContact O-CB 3.5Å; L22-C26 PolarHBondContact O-N 3.4Å; L22-C26 PolarHBondContact O-SG 2.98Å; C26-R28 PolarHBondContact O-N 3.23Å; C26-L29 WeakPolarHBondContact O-CB 3.33Å; C26-L29 PolarHBondContact O-N 3.3Å; C26-L30 WeakPolarHBondContact O-CG 3.47Å; C26-L30 PolarHBondContact O-N 2.75Å
27	R	66	Low	66.4	Low	94 Å²	94	62 Å²	62	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-42.4	173.9	-179	177.8	167.7	-161.7	-6.4	112.4	F23 S25 L29 L30 F31 T116	F23-R27 WeakPolarHBondContact O-CB 3.45Å; F23-R27 PolarHBondContact O-N 2.9Å; S25-R27 VanDerWaalsContact C-N 3.28Å; S25-R27 PolarHBondContact O-N 2.98Å; R27-L29 VanDerWaalsContact C-N 3.35Å; R27-L30 WeakPolarHBondContact O-CB 3.46Å; R27-L30 PolarHBondContact O-N 2.9Å; R27-F31 HydrophobicContact CG-CD2 4.38Å; R27-F31 HydrophobicContact CG-CE2 3.74Å; R27-F31 WeakPolarHBondContact O-CD2 3.33Å; R27-F31 PolarHBondContact O-N 2.91Å; R27-T116 HydrophobicContact CB-CG2 4.35Å
28	R	68.4	Low	65.6	Low	144 Å²	144	60.7 Å²	60.7	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-42.4	173.4	-77.5	174.4	-178.2	-176.9	2.6	111.7	Q24 S25 C26 L30 F31 I32	Q24-R28 VanDerWaalsContact NE2-NH2 3.17Å; Q24-R28 WeakPolarHBondContact O-CB 3.34Å; Q24-R28 VanDerWaalsContact O-CG 3.29Å; Q24-R28 WeakPolarHBondContact O-CG 3.27Å; Q24-R28 PolarHBondContact O-N 2.81Å; S25-R28 WeakPolarHBondContact O-CB 3.19Å; S25-R28 PolarHBondContact O-N 3.48Å; S25-R28 VanDerWaalsContact O-N 3.14Å; C26-R28 PolarHBondContact O-N 3.23Å; R28-L30 VanDerWaalsContact C-N 3.26Å; R28-L30 PolarHBondContact O-N 3.15Å; R28-F31 PolarHBondContact O-N 3.1Å; R28-F31 VanDerWaalsContact O-N 3.09Å; R28-I32 PolarHBondContact O-N 2.84Å
29	L	66.7	Low	64.6	Low	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-32.8	176.4	-71.4	169.7	0	0	0	112.4	S25 C26 R27 F31 I32 R38 V41 L46 L104 L112	S25-L29 WeakPolarHBondContact O-CG 3.46Å; S25-L29 PolarHBondContact O-N 2.93Å; C26-L29 WeakPolarHBondContact O-CB 3.33Å; C26-L29 PolarHBondContact O-N 3.3Å; R27-L29 VanDerWaalsContact C-N 3.35Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.4Å; L29-I32 HydrophobicContact CD2-CD1 4.33Å; L29-I32 PolarHBondContact O-N 2.93Å; L29-R38 PolarHBondContact O-NE 3.19Å; L29-V41 HydrophobicContact CD2-CB 3.9Å; L29-V41 HydrophobicContact CD2-CG1 3.74Å; L29-L46 HydrophobicContact CD1-CD1 3.92Å; L29-L104 HydrophobicContact CD1-CD2 4.06Å; L29-L112 HydrophobicContact CB-CD1 4.22Å; L29-L112 HydrophobicContact CB-CD2 4.47Å; L29-L112 HydrophobicContact CD1-CD2 4.23Å
30	L	65.2	Low	63.7	Low	41 Å²	41	72.4 Å²	72.4	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-35.4	173.6	-70.6	174.2	0	0	0	112.6	C26 R27 R28 I32 R38 L112 I113 T116	C26-L30 WeakPolarHBondContact O-CG 3.47Å; C26-L30 PolarHBondContact O-N 2.75Å; R27-L30 WeakPolarHBondContact O-CB 3.46Å; R27-L30 PolarHBondContact O-N 2.9Å; R28-L30 VanDerWaalsContact C-N 3.26Å; R28-L30 PolarHBondContact O-N 3.15Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 PolarHBondContact O-N 3.5Å; L30-R38 PolarHBondContact O-NH2 3.38Å; L30-L112 HydrophobicContact CD2-CB 3.53Å; L30-L112 HydrophobicContact CD2-CD1 4.48Å; L30-L112 HydrophobicContact CG-CB 4.16Å; L30-I113 HydrophobicContact CD1-CG1 4.17Å; L30-I113 HydrophobicContact CD2-CG1 3.81Å; L30-T116 HydrophobicContact CD1-CG2 4.49Å; L30-T116 WeakPolarHBondContact CD1-OG1 3.26Å
31	F	62.7	Low	63	Low	139 Å²	139	71.7 Å²	71.7	61%	0.61	36%	0.362	S	S	*	.	H	α-helix	trans	-74.1	-17.8	178.5	-70.7	-65.9	0	0	0	114	R27 R28 L29 G33	R27-F31 HydrophobicContact CG-CD2 4.38Å; R27-F31 HydrophobicContact CG-CE2 3.74Å; R27-F31 WeakPolarHBondContact O-CD2 3.33Å; R27-F31 PolarHBondContact O-N 2.91Å; R28-F31 PolarHBondContact O-N 3.1Å; R28-F31 VanDerWaalsContact O-N 3.09Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.4Å; F31-G33 PolarHBondContact O-N 3.49Å
32	I	61	Low	62.1	Low	33 Å²	33	67.9 Å²	67.9	17%	0.169	35%	0.351	C	S	.	.			trans	-79.3	105.7	175.8	-60.1	173.6	0	0	0	107.7	R28 L29 L30 Q37 R38 V41	R28-I32 PolarHBondContact O-N 2.84Å; L29-I32 HydrophobicContact CD2-CD1 4.33Å; L29-I32 PolarHBondContact O-N 2.93Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 PolarHBondContact O-N 3.5Å; I32-Q37 HydrophobicContact CG2-CB 3.32Å; I32-R38 HydrophobicContact CB-CG 3.88Å; I32-R38 HydrophobicContact CG2-CG 3.78Å; I32-R38 VanDerWaalsContact O-CZ 3.24Å; I32-R38 PolarHBondContact O-NE 2.69Å; I32-R38 PolarHBondContact O-NH2 3.14Å; I32-V41 HydrophobicContact CD1-CB 3.79Å; I32-V41 HydrophobicContact CD1-CG1 3.94Å; I32-V41 HydrophobicContact CD1-CG2 3.62Å
33	G	53.7	Low	61.4	Low	71 Å²	71	70 Å²	70	73%	0.732	37%	0.366	S	S	*	.			trans	-71.1	-27.5	-177.5	0	0	0	0	0	114.5	F31	F31-G33 PolarHBondContact O-N 3.49Å
34	K	58.1	Low	61.1	Low	135 Å²	135	73.6 Å²	73.6	59%	0.587	39%	0.393	S	S	*	.			trans	-91.7	125.8	-178.4	-66.3	-177.1	179.6	-179.3	0	111.3	S36 Q37 R38	K34-S36 VanDerWaalsContact C-N 3.27Å; K34-S36 PolarHBondContact O-N 3.41Å; K34-Q37 HydrophobicContact CB-CB 4.23Å; K34-Q37 HydrophobicContact CB-CG 4.22Å; K34-Q37 PolarHBondContact O-N 2.93Å; K34-Q37 VanDerWaalsContact O-N 3.14Å; K34-R38 PolarHBondContact O-N 3Å; K34-R38 VanDerWaalsContact O-N 3.08Å
35	S	58.8	Low	61	Low	90 Å²	90	72.7 Å²	72.7	63%	0.629	39%	0.394	S	S	*	.	H	α-helix	trans	-58.8	-35.4	178.2	55.2	0	0	0	0	113.1	R38 Q39	S35-R38 WeakPolarHBondContact O-CB 3.29Å; S35-R38 PolarHBondContact O-N 3.26Å; S35-Q39 PolarHBondContact O-N 3.29Å; S35-Q39 VanDerWaalsContact O-N 3.1Å
36	S	52.8	Low	60.9	Low	64 Å²	64	72.4 Å²	72.4	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-38.7	175.9	54.2	0	0	0	0	112.8	K34 R38 Q39 I40	K34-S36 VanDerWaalsContact C-N 3.27Å; K34-S36 PolarHBondContact O-N 3.41Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-Q39 WeakPolarHBondContact O-CB 3.33Å; S36-Q39 PolarHBondContact O-N 3.5Å; S36-I40 PolarHBondContact O-N 3.45Å
37	Q	58.7	Low	61	Low	98 Å²	98	75 Å²	75	46%	0.458	41%	0.409	S	S	.	.	H	α-helix	trans	-69.7	-32.2	173.6	-73.6	179.3	-25.6	0	0	111.6	I32 K34 Q39 I40 V41	I32-Q37 HydrophobicContact CG2-CB 3.32Å; K34-Q37 HydrophobicContact CB-CB 4.23Å; K34-Q37 HydrophobicContact CB-CG 4.22Å; K34-Q37 PolarHBondContact O-N 2.93Å; K34-Q37 VanDerWaalsContact O-N 3.14Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 3.41Å; Q37-I40 PolarHBondContact O-N 2.85Å; Q37-V41 WeakPolarHBondContact O-CG2 3.16Å; Q37-V41 PolarHBondContact O-N 2.98Å
38	R	56.1	Low	61.3	Low	28 Å²	28	74.8 Å²	74.8	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-63.3	-34.8	171.4	-67.5	-178	-175.8	177.5	0.8	111.9	L29 L30 I32 K34 S35 S36 I40 V41 C42	L29-R38 PolarHBondContact O-NE 3.19Å; L30-R38 PolarHBondContact O-NH2 3.38Å; I32-R38 HydrophobicContact CB-CG 3.88Å; I32-R38 HydrophobicContact CG2-CG 3.78Å; I32-R38 VanDerWaalsContact O-CZ 3.24Å; I32-R38 PolarHBondContact O-NE 2.69Å; I32-R38 PolarHBondContact O-NH2 3.14Å; K34-R38 PolarHBondContact O-N 3Å; K34-R38 VanDerWaalsContact O-N 3.08Å; S35-R38 WeakPolarHBondContact O-CB 3.29Å; S35-R38 PolarHBondContact O-N 3.26Å; S36-R38 VanDerWaalsContact C-N 3.33Å; R38-I40 VanDerWaalsContact C-N 3.32Å; R38-I40 PolarHBondContact O-N 3.27Å; R38-V41 PolarHBondContact O-N 2.8Å; R38-C42 WeakPolarHBondContact O-CB 3.36Å; R38-C42 PolarHBondContact O-N 3.37Å; R38-C42 PolarHBondContact O-SG 3.31Å; R38-C42 VanDerWaalsContact O-SG 3.37Å
39	Q	52.2	Low	61.8	Low	109 Å²	109	70.2 Å²	70.2	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-37.5	176.3	-69.3	174.8	-7	0	0	112.4	S35 S36 Q37 V41	S35-Q39 PolarHBondContact O-N 3.29Å; S35-Q39 VanDerWaalsContact O-N 3.1Å; S36-Q39 WeakPolarHBondContact O-CB 3.33Å; S36-Q39 PolarHBondContact O-N 3.5Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 3.41Å; Q39-V41 VanDerWaalsContact C-N 3.34Å
40	I	52.9	Low	62.1	Low	144 Å²	144	70.2 Å²	70.2	74%	0.738	40%	0.404	S	S	*	.	H	α-helix	trans	-71	-33.7	179	-59.9	167.4	0	0	0	110.9	S36 Q37 R38	S36-I40 PolarHBondContact O-N 3.45Å; Q37-I40 PolarHBondContact O-N 2.85Å; R38-I40 VanDerWaalsContact C-N 3.32Å; R38-I40 PolarHBondContact O-N 3.27Å
41	V	55.4	Low	62.5	Low	64 Å²	64	71.1 Å²	71.1	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-90.6	-23.3	-175.7	-179.2	0	0	0	0	113.1	L29 I32 Q37 R38 Q39 S43	L29-V41 HydrophobicContact CD2-CB 3.9Å; L29-V41 HydrophobicContact CD2-CG1 3.74Å; I32-V41 HydrophobicContact CD1-CB 3.79Å; I32-V41 HydrophobicContact CD1-CG1 3.94Å; I32-V41 HydrophobicContact CD1-CG2 3.62Å; Q37-V41 WeakPolarHBondContact O-CG2 3.16Å; Q37-V41 PolarHBondContact O-N 2.98Å; R38-V41 PolarHBondContact O-N 2.8Å; Q39-V41 VanDerWaalsContact C-N 3.34Å; V41-S43 PolarHBondContact O-N 2.87Å; V41-S43 PolarHBondContact O-OG 3.46Å
42	C	56.9	Low	63	Low	35 Å²	35	67.6 Å²	67.6	24%	0.236	40%	0.401	C	S	.	.			trans	-67.3	76.2	167.7	-79.9	0	0	0	0	110	R38	R38-C42 WeakPolarHBondContact O-CB 3.36Å; R38-C42 PolarHBondContact O-N 3.37Å; R38-C42 PolarHBondContact O-SG 3.31Å; R38-C42 VanDerWaalsContact O-SG 3.37Å
43	S	60.7	Low	63.6	Low	45 Å²	45	66 Å²	66	32%	0.315	39%	0.393	S	S	.	.			trans	-72.3	147.6	177.8	43.9	0	0	0	0	110.5	V41 T45 L46	V41-S43 PolarHBondContact O-N 2.87Å; V41-S43 PolarHBondContact O-OG 3.46Å; S43-T45 WeakPolarHBondContact CB-OG1 3.26Å; S43-T45 PolarHBondContact O-N 2.86Å; S43-T45 PolarHBondContact OG-OG1 3.45Å; S43-L46 PolarHBondContact O-N 2.93Å
44	P	64.7	Low	64.6	Low	106 Å²	106	63.5 Å²	63.5	69%	0.688	36%	0.363	S	S	*	.	H	α-helix	trans	-54	-24.5	174.1	21.6	-33.1	0	0	0	112.3	L46 S47 V48	P44-L46 VanDerWaalsContact C-N 3.31Å; P44-L46 PolarHBondContact O-N 2.84Å; P44-S47 PolarHBondContact O-N 3.33Å; P44-V48 WeakPolarHBondContact O-CG2 3.43Å; P44-V48 PolarHBondContact O-N 3.32Å
45	T	69.5	Low	65.3	Low	73 Å²	73	60.5 Å²	60.5	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-36.4	175.3	61.3	0	0	0	0	113	S43 V48 L49	S43-T45 WeakPolarHBondContact CB-OG1 3.26Å; S43-T45 PolarHBondContact O-N 2.86Å; S43-T45 PolarHBondContact OG-OG1 3.45Å; T45-V48 PolarHBondContact O-N 3.09Å; T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.33Å; T45-L49 PolarHBondContact O-N 3.38Å
46	L	69.2	Low	66	Low	6 Å²	6	56.9 Å²	56.9	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-70.6	-36.7	178.1	-65.5	177.6	0	0	0	112.2	Y21 L22 L29 S43 P44 S50 L104	Y21-L46 HydrophobicContact CD1-CD2 4.4Å; Y21-L46 HydrophobicContact CE1-CD2 4.1Å; L22-L46 HydrophobicContact CD2-CD2 4.25Å; L29-L46 HydrophobicContact CD1-CD1 3.92Å; S43-L46 PolarHBondContact O-N 2.93Å; P44-L46 VanDerWaalsContact C-N 3.31Å; P44-L46 PolarHBondContact O-N 2.84Å; L46-S50 WeakPolarHBondContact O-CB 3.32Å; L46-S50 PolarHBondContact O-N 3.31Å; L46-S50 PolarHBondContact O-OG 2.77Å; L46-L104 HydrophobicContact CB-CD1 3.82Å; L46-L104 HydrophobicContact CB-CD2 4.09Å; L46-L104 HydrophobicContact CD1-CD2 4.16Å
47	S	71	Confident	66.7	Low	55 Å²	55	53.8 Å²	53.8	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-45.1	173.4	-169.3	0	0	0	0	110.4	P44 L49 S50 T51	P44-S47 PolarHBondContact O-N 3.33Å; S47-L49 PolarHBondContact O-N 3.17Å; S47-S50 PolarHBondContact O-N 3.4Å; S47-T51 PolarHBondContact O-N 3.04Å; S47-T51 PolarHBondContact O-OG1 3.26Å
48	V	73.7	Confident	67.2	Low	90 Å²	90	53.1 Å²	53.1	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-46.3	176.4	172.6	0	0	0	0	110.6	P44 T45 S50 T51 V52	P44-V48 WeakPolarHBondContact O-CG2 3.43Å; P44-V48 PolarHBondContact O-N 3.32Å; T45-V48 PolarHBondContact O-N 3.09Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 3.23Å; V48-T51 CarbonylContact O-C 3.17Å; V48-T51 WeakPolarHBondContact O-CB 3.35Å; V48-T51 PolarHBondContact O-N 3.36Å; V48-V52 HydrophobicContact CG1-CG2 4.25Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.13Å; V48-V52 PolarHBondContact O-N 2.87Å
49	L	77	Confident	67.9	Low	48 Å²	48	55.4 Å²	55.4	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-38.5	177.4	-77.3	166.7	0	0	0	112.7	Y21 L22 T45 S47 V52 Q53	Y21-L49 HydrophobicContact CD1-CD1 3.36Å; Y21-L49 HydrophobicContact CE1-CD1 3.5Å; Y21-L49 HydrophobicContact CG-CD1 4.31Å; L22-L49 HydrophobicContact CD1-CB 4.43Å; L22-L49 HydrophobicContact CD2-CB 3.98Å; L22-L49 HydrophobicContact CG-CB 4.28Å; T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.33Å; T45-L49 PolarHBondContact O-N 3.38Å; S47-L49 PolarHBondContact O-N 3.17Å; L49-V52 PolarHBondContact O-N 2.86Å; L49-Q53 PolarHBondContact O-N 3.36Å
50	S	74.5	Confident	68.6	Low	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-39.4	175.2	-54.3	0	0	0	0	111.5	L46 S47 V48 Q53 L54 N100 L104	L46-S50 WeakPolarHBondContact O-CB 3.32Å; L46-S50 PolarHBondContact O-N 3.31Å; L46-S50 PolarHBondContact O-OG 2.77Å; S47-S50 PolarHBondContact O-N 3.4Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 3.23Å; S50-Q53 PolarHBondContact O-N 3.3Å; S50-L54 PolarHBondContact O-N 2.86Å; S50-N100 WeakPolarHBondContact OG-CB 3.23Å; S50-L104 WeakPolarHBondContact OG-CD1 3.36Å
51	T	73.7	Confident	69.1	Low	61 Å²	61	43.8 Å²	43.8	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-40.7	172.6	-53.1	0	0	0	0	111.4	S47 V48 L54 V55	S47-T51 PolarHBondContact O-N 3.04Å; S47-T51 PolarHBondContact O-OG1 3.26Å; V48-T51 CarbonylContact O-C 3.17Å; V48-T51 WeakPolarHBondContact O-CB 3.35Å; V48-T51 PolarHBondContact O-N 3.36Å; T51-L54 WeakPolarHBondContact O-CB 3.38Å; T51-L54 PolarHBondContact O-N 2.76Å; T51-V55 HydrophobicContact CG2-CG2 4.32Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.41Å
52	V	72.7	Confident	69.3	Low	64 Å²	64	43.5 Å²	43.5	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-44.4	175	170	0	0	0	0	110.3	V48 L49 L54 V55 C56	V48-V52 HydrophobicContact CG1-CG2 4.25Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.13Å; V48-V52 PolarHBondContact O-N 2.87Å; L49-V52 PolarHBondContact O-N 2.86Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.26Å; V52-V55 PolarHBondContact O-N 3.04Å; V52-C56 VanDerWaalsContact O-CB 3.27Å; V52-C56 WeakPolarHBondContact O-CB 3.23Å; V52-C56 PolarHBondContact O-N 3.31Å; V52-C56 PolarHBondContact O-SG 3.44Å
53	Q	74	Confident	69.7	Low	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-45.1	174.9	-174.1	-175.1	4.8	0	0	111.6	S19 L22 L49 S50 G57 H93 N100	S19-Q53 PolarHBondContact OG-NE2 3.18Å; L22-Q53 HydrophobicContact CD1-CB 4.39Å; L49-Q53 PolarHBondContact O-N 3.36Å; S50-Q53 PolarHBondContact O-N 3.3Å; Q53-G57 PolarHBondContact O-N 3.46Å; Q53-H93 PolarHBondContact NE2-ND1 2.86Å; Q53-N100 PolarHBondContact OE1-ND2 3.34Å
54	L	74.3	Confident	69.8	Low	18 Å²	18	46 Å²	46	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-48.3	177	178.1	63.6	0	0	0	111.8	S50 T51 V52 G57 L58 I94 Y98 I101	S50-L54 PolarHBondContact O-N 2.86Å; T51-L54 WeakPolarHBondContact O-CB 3.38Å; T51-L54 PolarHBondContact O-N 2.76Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.26Å; L54-G57 PolarHBondContact O-N 3.48Å; L54-L58 HydrophobicContact CD1-CD1 4.37Å; L54-L58 HydrophobicContact CG-CD1 4.21Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.84Å; L54-I94 HydrophobicContact CD1-CB 4.16Å; L54-I94 HydrophobicContact CD1-CG1 4.39Å; L54-I94 HydrophobicContact CD1-CG2 3.73Å; L54-Y98 HydrophobicContact CD1-CD2 3.88Å; L54-Y98 HydrophobicContact CD1-CE1 4.38Å; L54-Y98 HydrophobicContact CD1-CE2 3.56Å; L54-Y98 HydrophobicContact CD1-CG 4.41Å; L54-Y98 HydrophobicContact CD2-CD1 4.3Å; L54-Y98 HydrophobicContact CD2-CE1 3.88Å; L54-I101 HydrophobicContact CD2-CD1 4.16Å
55	V	72.2	Confident	69.4	Low	71 Å²	71	44 Å²	44	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-44	179.3	171.6	0	0	0	0	110.9	T51 V52 G57 L58 L59	T51-V55 HydrophobicContact CG2-CG2 4.32Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.41Å; V52-V55 PolarHBondContact O-N 3.04Å; V55-G57 VanDerWaalsContact C-N 3.35Å; V55-G57 PolarHBondContact O-N 3.36Å; V55-L58 PolarHBondContact O-N 2.73Å; V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.35Å; V55-L59 WeakPolarHBondContact O-CB 3.44Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.5Å; V55-L59 PolarHBondContact O-N 2.77Å
56	C	74	Confident	68.8	Low	14 Å²	14	42.3 Å²	42.3	10%	0.095	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-40.2	176.1	-70.8	0	0	0	0	111.9	I15 V52 L59 L60	I15-C56 HydrophobicContact CD1-CB 3.83Å; I15-C56 HydrophobicContact CG1-CB 3.49Å; I15-C56 VanDerWaalsContact CG1-CB 3.49Å; V52-C56 VanDerWaalsContact O-CB 3.27Å; V52-C56 WeakPolarHBondContact O-CB 3.23Å; V52-C56 PolarHBondContact O-N 3.31Å; V52-C56 PolarHBondContact O-SG 3.44Å; C56-L59 PolarHBondContact O-N 2.87Å; C56-L60 VanDerWaalsContact O-CB 3.28Å; C56-L60 WeakPolarHBondContact O-CB 3.14Å; C56-L60 PolarHBondContact O-N 3.06Å
57	G	68.2	Low	68.1	Low	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-41.4	174.8	0	0	0	0	0	112.8	Q53 L54 V55 G61	Q53-G57 PolarHBondContact O-N 3.46Å; L54-G57 PolarHBondContact O-N 3.48Å; V55-G57 VanDerWaalsContact C-N 3.35Å; V55-G57 PolarHBondContact O-N 3.36Å; G57-G61 PolarHBondContact O-N 3.23Å
58	L	68.1	Low	67.3	Low	84 Å²	84	45.1 Å²	45.1	44%	0.44	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-44.8	174.2	-73.9	169.6	0	0	0	112	L54 V55 G61 A62 I94	L54-L58 HydrophobicContact CD1-CD1 4.37Å; L54-L58 HydrophobicContact CG-CD1 4.21Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.84Å; V55-L58 PolarHBondContact O-N 2.73Å; L58-G61 PolarHBondContact O-N 2.92Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 2.66Å; L58-I94 HydrophobicContact CD2-CD1 3.74Å; L58-I94 HydrophobicContact CD2-CG1 4.11Å; L58-I94 HydrophobicContact CG-CD1 4.2Å; L58-I94 HydrophobicContact CG-CG1 4.12Å
59	L	70.2	Confident	66	Low	75 Å²	75	43.2 Å²	43.2	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-54.2	175.1	-74	172.2	0	0	0	109.6	V55 C56 G61 A62 W63	V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.35Å; V55-L59 WeakPolarHBondContact O-CB 3.44Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.5Å; V55-L59 PolarHBondContact O-N 2.77Å; C56-L59 PolarHBondContact O-N 2.87Å; L59-G61 VanDerWaalsContact C-N 3.27Å; L59-G61 PolarHBondContact O-N 3.39Å; L59-A62 PolarHBondContact O-N 2.86Å; L59-A62 VanDerWaalsContact O-N 3.09Å; L59-W63 WeakPolarHBondContact O-CB 3.39Å; L59-W63 PolarHBondContact O-N 3.31Å
60	L	68	Low	64.8	Low	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-42.9	-178.6	-169.9	68.2	0	0	0	111.5	I8 Y12 I15 C56 W63 L64 C90	I8-L60 HydrophobicContact CG1-CD1 4.47Å; I8-L60 HydrophobicContact CG2-CD1 4.06Å; Y12-L60 HydrophobicContact CD2-CD2 4.23Å; I15-L60 HydrophobicContact CD1-CB 4.42Å; I15-L60 HydrophobicContact CD1-CD2 3.93Å; C56-L60 VanDerWaalsContact O-CB 3.28Å; C56-L60 WeakPolarHBondContact O-CB 3.14Å; C56-L60 PolarHBondContact O-N 3.06Å; L60-W63 PolarHBondContact O-N 3.46Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.32Å; L60-L64 PolarHBondContact O-N 2.97Å; L60-C90 WeakPolarHBondContact CD2-SG 3Å; L60-C90 WeakPolarHBondContact CG-SG 2.94Å
61	G	63.4	Low	63.7	Low	6 Å²	6	48 Å²	48	6%	0.062	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-49	174.3	0	0	0	0	0	112.5	G57 L58 L59 W63 L64 I65 C90	G57-G61 PolarHBondContact O-N 3.23Å; L58-G61 PolarHBondContact O-N 2.92Å; L59-G61 VanDerWaalsContact C-N 3.27Å; L59-G61 PolarHBondContact O-N 3.39Å; G61-W63 VanDerWaalsContact C-N 3.29Å; G61-W63 PolarHBondContact O-N 2.83Å; G61-L64 PolarHBondContact O-N 2.94Å; G61-I65 WeakPolarHBondContact O-CB 3.27Å; G61-I65 WeakPolarHBondContact O-CD1 3.34Å; G61-I65 WeakPolarHBondContact O-CG1 3.25Å; G61-I65 PolarHBondContact O-N 3.49Å; G61-C90 PolarHBondContact N-SG 2.91Å; G61-C90 VanDerWaalsContact N-SG 3.38Å
62	A	60.1	Low	62.3	Low	58 Å²	58	48.4 Å²	48.4	48%	0.479	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-38.3	176.7	0	0	0	0	0	112.5	L58 L59 A66	L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 2.66Å; L59-A62 PolarHBondContact O-N 2.86Å; L59-A62 VanDerWaalsContact O-N 3.09Å; A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 2.93Å
63	W	64.4	Low	60.8	Low	115 Å²	115	47.2 Å²	47.2	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-42	178.5	-84	98.9	0	0	0	112.5	L4 L59 L60 G61 A66 I67	L4-W63 HydrophobicContact CD1-CE3 3.54Å; L4-W63 HydrophobicContact CD1-CH2 4.34Å; L4-W63 HydrophobicContact CD1-CZ3 3.3Å; L59-W63 WeakPolarHBondContact O-CB 3.39Å; L59-W63 PolarHBondContact O-N 3.31Å; L60-W63 PolarHBondContact O-N 3.46Å; G61-W63 VanDerWaalsContact C-N 3.29Å; G61-W63 PolarHBondContact O-N 2.83Å; W63-A66 WeakPolarHBondContact O-CB 3.46Å; W63-A66 PolarHBondContact O-N 3.41Å; W63-I67 WeakPolarHBondContact O-CG1 3.44Å; W63-I67 PolarHBondContact O-N 3.12Å
64	L	62	Low	59.3	Low	17 Å²	17	49.5 Å²	49.5	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-43.9	176.2	-72.1	168.2	0	0	0	111.2	L60 G61 A66 I67 E68 T86 C90	L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.32Å; L60-L64 PolarHBondContact O-N 2.97Å; G61-L64 PolarHBondContact O-N 2.94Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 3.43Å; L64-I67 PolarHBondContact O-N 2.77Å; L64-E68 WeakPolarHBondContact O-CB 3.24Å; L64-E68 PolarHBondContact O-N 3.08Å; L64-T86 VanDerWaalsContact CD1-C 3.47Å; L64-T86 VanDerWaalsContact CD1-CB 3.48Å; L64-T86 WeakPolarHBondContact CD1-OG1 3.33Å; L64-T86 WeakPolarHBondContact CD2-OG1 3.17Å; L64-C90 VanDerWaalsContact CD1-SG 3.51Å
65	I	57.4	Low	57.8	Low	63 Å²	63	56.2 Å²	56.2	32%	0.323	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-43.3	173.2	-65.4	164.4	0	0	0	110	G61 I67 E68 V69 L87	G61-I65 WeakPolarHBondContact O-CB 3.27Å; G61-I65 WeakPolarHBondContact O-CD1 3.34Å; G61-I65 WeakPolarHBondContact O-CG1 3.25Å; G61-I65 PolarHBondContact O-N 3.49Å; I65-I67 VanDerWaalsContact C-N 3.32Å; I65-I67 PolarHBondContact O-N 3.48Å; I65-E68 PolarHBondContact O-N 3.33Å; I65-V69 HydrophobicContact CG2-CG2 4.4Å; I65-V69 VanDerWaalsContact O-CB 3.3Å; I65-V69 WeakPolarHBondContact O-CB 3.44Å; I65-V69 WeakPolarHBondContact O-CG2 2.98Å; I65-V69 PolarHBondContact O-N 3.38Å; I65-L87 HydrophobicContact CD1-CD1 4.1Å; I65-L87 HydrophobicContact CG1-CD1 4.03Å
66	A	55.8	Low	56.2	Low	39 Å²	39	59 Å²	59	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-35.2	177.3	0	0	0	0	0	113.1	A62 W63 L64 V69 L70	A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 2.93Å; W63-A66 WeakPolarHBondContact O-CB 3.46Å; W63-A66 PolarHBondContact O-N 3.41Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 3.43Å; A66-V69 WeakPolarHBondContact O-CB 3.46Å; A66-L70 WeakPolarHBondContact O-CB 3.29Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.24Å
67	I	56.3	Low	54.5	Low	12 Å²	12	64.8 Å²	64.8	6%	0.062	37%	0.365	C	S	.	.	H	α-helix	trans	-69.1	-46.2	175	-72	167.8	0	0	0	110.6	L4 I8 W63 L64 I65 V69 L70 L71 L81	L4-I67 HydrophobicContact CD1-CD1 4.49Å; L4-I67 HydrophobicContact CD2-CD1 3.44Å; L4-I67 VanDerWaalsContact CD2-CD1 3.44Å; L4-I67 HydrophobicContact CD2-CG1 3.57Å; L4-I67 HydrophobicContact CG-CD1 3.93Å; L4-I67 HydrophobicContact CG-CG1 4.49Å; I8-I67 HydrophobicContact CD1-CD1 3.6Å; W63-I67 WeakPolarHBondContact O-CG1 3.44Å; W63-I67 PolarHBondContact O-N 3.12Å; L64-I67 PolarHBondContact O-N 2.77Å; I65-I67 VanDerWaalsContact C-N 3.32Å; I65-I67 PolarHBondContact O-N 3.48Å; I67-V69 PolarHBondContact O-N 2.9Å; I67-L70 PolarHBondContact O-N 3.37Å; I67-L71 HydrophobicContact CG2-CD1 3.6Å; I67-L71 HydrophobicContact CG2-CG 4.18Å; I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 VanDerWaalsContact O-CG 3.24Å; I67-L71 WeakPolarHBondContact O-CG 3.35Å; I67-L71 PolarHBondContact O-N 2.98Å; I67-L81 HydrophobicContact CG2-CD2 3.94Å
68	E	53.2	Low	53.1	Low	107 Å²	107	68.2 Å²	68.2	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-41.1	176.7	-166.4	171.6	-178	0	0	110.7	L64 I65 L71 A72	L64-E68 WeakPolarHBondContact O-CB 3.24Å; L64-E68 PolarHBondContact O-N 3.08Å; I65-E68 PolarHBondContact O-N 3.33Å; E68-L71 PolarHBondContact O-N 3.17Å; E68-A72 VanDerWaalsContact O-CB 3.25Å; E68-A72 WeakPolarHBondContact O-CB 3.14Å; E68-A72 PolarHBondContact O-N 3.13Å
69	V	47.5	Very low	51.8	Low	51 Å²	51	69.3 Å²	69.3	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-50.1	171.7	158.7	0	0	0	0	112.4	I65 A66 I67 L71 G73 Y283	I65-V69 HydrophobicContact CG2-CG2 4.4Å; I65-V69 VanDerWaalsContact O-CB 3.3Å; I65-V69 WeakPolarHBondContact O-CB 3.44Å; I65-V69 WeakPolarHBondContact O-CG2 2.98Å; I65-V69 PolarHBondContact O-N 3.38Å; A66-V69 WeakPolarHBondContact O-CB 3.46Å; I67-V69 PolarHBondContact O-N 2.9Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.29Å; V69-G73 PolarHBondContact O-N 3.41Å; V69-Y283 HydrophobicContact CB-CE2 4.07Å; V69-Y283 HydrophobicContact CG1-CD2 3.99Å; V69-Y283 HydrophobicContact CG1-CE2 3.41Å; V69-Y283 VanDerWaalsContact CG1-CE2 3.41Å; V69-Y283 HydrophobicContact CG2-CD2 3.82Å; V69-Y283 HydrophobicContact CG2-CE2 3.81Å
70	L	51.1	Low	50.2	Low	124 Å²	124	67.8 Å²	67.8	65%	0.649	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-35	179.4	-77.9	164.6	0	0	0	112	A66 I67 S74	A66-L70 WeakPolarHBondContact O-CB 3.29Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.24Å; I67-L70 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 2.9Å
71	L	50	Low	49.1	Very low	25 Å²	25	70.8 Å²	70.8	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-75.1	-44.8	179.8	-72.2	173	0	0	0	111.6	M1 I67 E68 V69 G73 S74 L81	M1-L71 HydrophobicContact CE-CD2 3.68Å; M1-L71 HydrophobicContact CE-CG 4.35Å; I67-L71 HydrophobicContact CG2-CD1 3.6Å; I67-L71 HydrophobicContact CG2-CG 4.18Å; I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 VanDerWaalsContact O-CG 3.24Å; I67-L71 WeakPolarHBondContact O-CG 3.35Å; I67-L71 PolarHBondContact O-N 2.98Å; E68-L71 PolarHBondContact O-N 3.17Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.29Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.24Å; L71-S74 PolarHBondContact O-N 3.15Å; L71-S74 PolarHBondContact O-OG 3.47Å; L71-L81 HydrophobicContact CD1-CD1 4.49Å; L71-L81 HydrophobicContact CD1-CD2 4.07Å
72	A	46.1	Very low	48.5	Very low	68 Å²	68	71.7 Å²	71.7	56%	0.562	40%	0.401	S	S	*	.	H	α-helix	trans	-60	-34.7	176.7	0	0	0	0	0	112.4	E68 S74	E68-A72 VanDerWaalsContact O-CB 3.25Å; E68-A72 WeakPolarHBondContact O-CB 3.14Å; E68-A72 PolarHBondContact O-N 3.13Å; A72-S74 VanDerWaalsContact C-N 3.27Å; A72-S74 PolarHBondContact O-N 3.29Å
73	G	40.8	Very low	48.1	Very low	40 Å²	40	69.6 Å²	69.6	41%	0.412	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.7	174.4	0	0	0	0	0	115.2	V69 L71	V69-G73 PolarHBondContact O-N 3.41Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.24Å
74	S	42.3	Very low	47.5	Very low	49 Å²	49	65.3 Å²	65.3	34%	0.343	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	4.2	-171.3	69.8	0	0	0	0	115.1	L70 L71 A72 F76	L70-S74 PolarHBondContact O-OG 2.9Å; L71-S74 PolarHBondContact O-N 3.15Å; L71-S74 PolarHBondContact O-OG 3.47Å; A72-S74 VanDerWaalsContact C-N 3.27Å; A72-S74 PolarHBondContact O-N 3.29Å; S74-F76 WeakPolarHBondContact O-CD2 3.47Å; S74-F76 PolarHBondContact O-N 2.93Å
75	N	41.7	Very low	47.1	Very low	159 Å²	159	65.8 Å²	65.8	85%	0.85	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	17.7	-172.1	-75.7	-12.4	0	0	0	114	D77	N75-D77 PolarHBondContact O-N 2.74Å
76	F	39.9	Very low	47.2	Very low	128 Å²	128	63.6 Å²	63.6	56%	0.561	36%	0.364	S	S	*	.			trans	-81.4	104.4	174.1	-92.6	-81.8	0	0	0	108.5	S74 F78	S74-F76 WeakPolarHBondContact O-CD2 3.47Å; S74-F76 PolarHBondContact O-N 2.93Å; F76-F78 HydrophobicContact CB-CD2 4.13Å; F76-F78 HydrophobicContact CD1-CD2 4.19Å; F76-F78 AromaticContact CD1-CE2 3.94Å; F76-F78 HydrophobicContact CD1-CE2 3.94Å; F76-F78 PolarHBondContact O-N 2.82Å
77	D	38.7	Very low	47.4	Very low	136 Å²	136	63.1 Å²	63.1	73%	0.727	36%	0.356	S	S	*	.			trans	-72.5	55.5	178.4	-139.5	-1.3	0	0	0	111.2	N75 Q79	N75-D77 PolarHBondContact O-N 2.74Å; D77-Q79 PolarHBondContact O-N 2.56Å
78	F	38.9	Very low	47.6	Very low	73 Å²	73	62.8 Å²	62.8	32%	0.32	36%	0.355	S	S	.	.			trans	-78.8	75.6	169.6	-88.7	-75.5	0	0	0	108.7	F76 S80 F139	F76-F78 HydrophobicContact CB-CD2 4.13Å; F76-F78 HydrophobicContact CD1-CD2 4.19Å; F76-F78 AromaticContact CD1-CE2 3.94Å; F76-F78 HydrophobicContact CD1-CE2 3.94Å; F76-F78 PolarHBondContact O-N 2.82Å; F78-S80 WeakPolarHBondContact CD1-OG 3.49Å; F78-S80 PolarHBondContact O-N 2.7Å; F78-F139 HydrophobicContact CE1-CE1 4.28Å; F78-F139 HydrophobicContact CE1-CZ 4.43Å
79	Q	38.8	Very low	48.2	Very low	107 Å²	107	57.7 Å²	57.7	50%	0.5	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	10	164.2	-72.6	-179.8	-3.9	0	0	113.5	D77	D77-Q79 PolarHBondContact O-N 2.56Å
80	S	38.5	Very low	49.2	Very low	42 Å²	42	55.3 Å²	55.3	29%	0.294	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	7.7	-170.7	75.4	0	0	0	0	115.2	F78	F78-S80 WeakPolarHBondContact CD1-OG 3.49Å; F78-S80 PolarHBondContact O-N 2.7Å
81	L	44.4	Very low	49.9	Very low	68 Å²	68	53.1 Å²	53.1	36%	0.356	31%	0.305	S	S	.	.			trans	-87.4	121.4	168.9	-120	92.3	0	0	0	108.7	I67 L71 G83 M136	I67-L81 HydrophobicContact CG2-CD2 3.94Å; L71-L81 HydrophobicContact CD1-CD1 4.49Å; L71-L81 HydrophobicContact CD1-CD2 4.07Å; L81-G83 PolarHBondContact O-N 3.43Å; L81-M136 HydrophobicContact CD1-CE 3.36Å; L81-M136 HydrophobicContact CD1-SD 3.87Å; L81-M136 HydrophobicContact CG-CE 3.82Å
82	A	50.1	Low	50.8	Low	24 Å²	24	53.1 Å²	53.1	20%	0.198	31%	0.305	C	S	.	.			trans	-66.7	42.7	175.3	0	0	0	0	0	113.5	S84 E85 T86 V132	A82-S84 VanDerWaalsContact C-N 3.32Å; A82-S84 PolarHBondContact O-N 3.27Å; A82-E85 HydrophobicContact CB-CG 4.46Å; A82-E85 PolarHBondContact O-N 2.99Å; A82-T86 WeakPolarHBondContact O-CG2 3.33Å; A82-T86 PolarHBondContact O-N 2.8Å; A82-T86 VanDerWaalsContact O-N 3.11Å; A82-T86 PolarHBondContact O-OG1 2.85Å; A82-V132 HydrophobicContact CB-CG1 3.89Å; A82-V132 HydrophobicContact CB-CG2 4.12Å
83	G	51.9	Low	51.9	Low	14 Å²	14	49.9 Å²	49.9	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-37.8	-174.4	0	0	0	0	0	112.8	L81 T86 L87	L81-G83 PolarHBondContact O-N 3.43Å; G83-T86 WeakPolarHBondContact CA-OG1 3.37Å; G83-T86 PolarHBondContact O-OG1 3.33Å; G83-T86 VanDerWaalsContact O-OG1 3.08Å; G83-L87 WeakPolarHBondContact O-CB 3.27Å; G83-L87 PolarHBondContact O-N 3.48Å
84	S	52.4	Low	53.2	Low	26 Å²	26	49 Å²	49	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-70.4	-39.3	-180	57	0	0	0	0	113.1	A82 L87 V88 Q436	A82-S84 VanDerWaalsContact C-N 3.32Å; A82-S84 PolarHBondContact O-N 3.27Å; S84-L87 PolarHBondContact O-N 3.48Å; S84-V88 PolarHBondContact O-N 3.33Å; S84-Q436 WeakPolarHBondContact OG-CG 3.48Å; S84-Q436 PolarHBondContact OG-NE2 3.1Å; S84-Q436 VanDerWaalsContact OG-NE2 3.13Å
85	E	53.3	Low	54.3	Low	27 Å²	27	47.9 Å²	47.9	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-71.4	-41.5	-179.2	-44.5	-176	161.2	0	0	111.1	A82 V88 H89 L129 M397	A82-E85 HydrophobicContact CB-CG 4.46Å; A82-E85 PolarHBondContact O-N 2.99Å; E85-V88 PolarHBondContact O-N 2.79Å; E85-H89 PolarHBondContact O-N 2.68Å; E85-L129 HydrophobicContact CB-CD2 4Å; E85-M397 HydrophobicContact CB-CE 4.1Å; E85-M397 HydrophobicContact CB-SD 4.25Å; E85-M397 HydrophobicContact CG-CE 3.5Å; E85-M397 HydrophobicContact CG-SD 4.08Å; E85-M397 WeakPolarHBondContact OE1-CE 3.29Å
86	T	59.9	Low	55.6	Low	16 Å²	16	40.3 Å²	40.3	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-33.5	175.9	49.7	0	0	0	0	112.1	L64 A82 G83 H89 C90 V132	L64-T86 VanDerWaalsContact CD1-C 3.47Å; L64-T86 VanDerWaalsContact CD1-CB 3.48Å; L64-T86 WeakPolarHBondContact CD1-OG1 3.33Å; L64-T86 WeakPolarHBondContact CD2-OG1 3.17Å; A82-T86 WeakPolarHBondContact O-CG2 3.33Å; A82-T86 PolarHBondContact O-N 2.8Å; A82-T86 VanDerWaalsContact O-N 3.11Å; A82-T86 PolarHBondContact O-OG1 2.85Å; G83-T86 WeakPolarHBondContact CA-OG1 3.37Å; G83-T86 PolarHBondContact O-OG1 3.33Å; G83-T86 VanDerWaalsContact O-OG1 3.08Å; T86-H89 WeakPolarHBondContact O-CB 3.36Å; T86-H89 PolarHBondContact O-N 3.21Å; T86-C90 PolarHBondContact O-N 3.43Å; T86-C90 PolarHBondContact O-SG 3.02Å; T86-V132 HydrophobicContact CG2-CG1 4.23Å
87	L	60.3	Low	56.9	Low	29 Å²	29	34.2 Å²	34.2	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-42.4	173.2	-174.7	67.2	0	0	0	111.9	I65 G83 S84 H89 C90 L91 I435	I65-L87 HydrophobicContact CD1-CD1 4.1Å; I65-L87 HydrophobicContact CG1-CD1 4.03Å; G83-L87 WeakPolarHBondContact O-CB 3.27Å; G83-L87 PolarHBondContact O-N 3.48Å; S84-L87 PolarHBondContact O-N 3.48Å; L87-H89 VanDerWaalsContact C-N 3.31Å; L87-H89 PolarHBondContact O-N 3.33Å; L87-C90 WeakPolarHBondContact O-CA 3.5Å; L87-C90 VanDerWaalsContact O-CB 3.27Å; L87-C90 WeakPolarHBondContact O-CB 3.48Å; L87-C90 PolarHBondContact O-N 2.92Å; L87-C90 VanDerWaalsContact O-N 3.11Å; L87-L91 PolarHBondContact O-N 3.42Å; L87-I435 HydrophobicContact CD2-CD1 4.21Å
88	V	59.4	Low	58.2	Low	6 Å²	6	30.2 Å²	30.2	4%	0.036	17%	0.168	C	C	.	.	H	α-helix	trans	-70	-33.6	178.9	173.4	0	0	0	0	112	S84 E85 C90 L91 M92 A428 I432	S84-V88 PolarHBondContact O-N 3.33Å; E85-V88 PolarHBondContact O-N 2.79Å; V88-C90 VanDerWaalsContact C-N 3.3Å; V88-C90 PolarHBondContact O-N 3.22Å; V88-L91 PolarHBondContact O-N 3.34Å; V88-M92 WeakPolarHBondContact O-CB 3.3Å; V88-M92 PolarHBondContact O-N 3.32Å; V88-A428 HydrophobicContact CG1-CB 4.24Å; V88-I432 HydrophobicContact CB-CD1 3.99Å; V88-I432 HydrophobicContact CB-CG1 3.53Å; V88-I432 HydrophobicContact CG1-CD1 3.54Å; V88-I432 HydrophobicContact CG1-CG1 3.5Å; V88-I432 VanDerWaalsContact CG1-CG1 3.5Å; V88-I432 HydrophobicContact CG2-CB 4.2Å; V88-I432 HydrophobicContact CG2-CD1 4.2Å; V88-I432 HydrophobicContact CG2-CG1 3.18Å
89	H	66.6	Low	59.5	Low	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-42	168	175	-99.2	0	0	0	112.7	Y12 E85 T86 L87 L91 M92 H93 L125 S126 L129	Y12-H89 AromaticContact CD2-CE1 3.67Å; Y12-H89 AromaticContact CE2-CE1 2.97Å; Y12-H89 WeakPolarHBondContact CE2-CE1 3.24Å; Y12-H89 AromaticContact CE2-ND1 3.55Å; Y12-H89 AromaticContact CE2-NE2 3.6Å; Y12-H89 AromaticContact CZ-CE1 3.52Å; Y12-H89 AromaticContact CZ-NE2 3.67Å; Y12-H89 PolarHBondContact OH-NE2 3.36Å; E85-H89 PolarHBondContact O-N 2.68Å; T86-H89 WeakPolarHBondContact O-CB 3.36Å; T86-H89 PolarHBondContact O-N 3.21Å; L87-H89 VanDerWaalsContact C-N 3.31Å; L87-H89 PolarHBondContact O-N 3.33Å; H89-L91 PolarHBondContact O-N 2.82Å; H89-M92 WeakPolarHBondContact O-CB 3.29Å; H89-M92 PolarHBondContact O-N 3.02Å; H89-H93 AromaticContact CD2-CD2 3.9Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-CD2 3.28Å; H89-H93 PolarHBondContact CE1-CD2 3.3Å; H89-H93 AromaticContact CE1-NE2 2.95Å; H89-H93 PolarHBondContact CE1-NE2 3.3Å; H89-H93 AromaticContact CG-CD2 3.87Å; H89-H93 AromaticContact CG-NE2 3.91Å; H89-H93 AromaticContact ND1-CD2 3.48Å; H89-H93 PolarHBondContact ND1-CD2 2.98Å; H89-H93 AromaticContact ND1-NE2 3.61Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-CE1 3.99Å; H89-H93 AromaticContact NE2-NE2 2.88Å; H89-H93 PolarHBondContact NE2-NE2 2.92Å; H89-H93 PolarHBondContact O-CD2 3.22Å; H89-H93 PolarHBondContact O-N 3.44Å; H89-L125 HydrophobicContact CB-CD2 4Å; H89-L125 HydrophobicContact CB-CG 4.48Å; H89-S126 WeakPolarHBondContact NE2-CA 3.42Å; H89-S126 WeakPolarHBondContact NE2-CB 3.12Å; H89-S126 PolarHBondContact NE2-OG 2.94Å; H89-L129 HydrophobicContact CB-CD1 3.2Å
90	C	67.2	Low	60.9	Low	1 Å²	1	22.2 Å²	22.2	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-45.8	172.4	-61.6	0	0	0	0	111.8	L60 G61 L64 T86 L87 V88 M92 H93 I94	L60-C90 WeakPolarHBondContact CD2-SG 3Å; L60-C90 WeakPolarHBondContact CG-SG 2.94Å; G61-C90 PolarHBondContact N-SG 2.91Å; G61-C90 VanDerWaalsContact N-SG 3.38Å; L64-C90 VanDerWaalsContact CD1-SG 3.51Å; T86-C90 PolarHBondContact O-N 3.43Å; T86-C90 PolarHBondContact O-SG 3.02Å; L87-C90 WeakPolarHBondContact O-CA 3.5Å; L87-C90 VanDerWaalsContact O-CB 3.27Å; L87-C90 WeakPolarHBondContact O-CB 3.48Å; L87-C90 PolarHBondContact O-N 2.92Å; L87-C90 VanDerWaalsContact O-N 3.11Å; V88-C90 VanDerWaalsContact C-N 3.3Å; V88-C90 PolarHBondContact O-N 3.22Å; C90-M92 VanDerWaalsContact C-N 3.31Å; C90-M92 PolarHBondContact O-N 2.81Å; C90-H93 WeakPolarHBondContact O-CB 3.22Å; C90-H93 PolarHBondContact O-N 3.44Å; C90-I94 WeakPolarHBondContact O-CD1 3.21Å; C90-I94 VanDerWaalsContact O-CG1 3.23Å; C90-I94 WeakPolarHBondContact O-CG1 3.25Å; C90-I94 PolarHBondContact O-N 2.9Å
91	L	66.2	Low	62.3	Low	78 Å²	78	22.7 Å²	22.7	41%	0.408	13%	0.13	S	C	.	.	H	α-helix	trans	-61.6	-39	177.1	-68.1	175	0	0	0	112.1	L87 V88 H89 H93 I94 G95	L87-L91 PolarHBondContact O-N 3.42Å; V88-L91 PolarHBondContact O-N 3.34Å; H89-L91 PolarHBondContact O-N 2.82Å; L91-H93 VanDerWaalsContact C-N 3.35Å; L91-I94 HydrophobicContact CD2-CD1 4.45Å; L91-I94 PolarHBondContact O-N 3.23Å; L91-G95 PolarHBondContact O-N 2.95Å
92	M	68.7	Low	63.4	Low	24 Å²	24	21.3 Å²	21.3	12%	0.118	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-40	175	-172.8	63.3	177.8	0	0	111.4	V88 H89 C90 T96 M118 L121 L125	V88-M92 WeakPolarHBondContact O-CB 3.3Å; V88-M92 PolarHBondContact O-N 3.32Å; H89-M92 WeakPolarHBondContact O-CB 3.29Å; H89-M92 PolarHBondContact O-N 3.02Å; C90-M92 VanDerWaalsContact C-N 3.31Å; C90-M92 PolarHBondContact O-N 2.81Å; M92-T96 WeakPolarHBondContact O-CB 3.26Å; M92-T96 PolarHBondContact O-N 2.92Å; M92-T96 PolarHBondContact O-OG1 3.45Å; M92-M118 HydrophobicContact CE-CE 3.43Å; M92-M118 VanDerWaalsContact CE-CE 3.43Å; M92-M118 HydrophobicContact CE-SD 3.8Å; M92-M118 HydrophobicContact SD-CE 3.66Å; M92-L121 HydrophobicContact CE-CB 3.57Å; M92-L121 HydrophobicContact CE-CD1 4.24Å; M92-L125 HydrophobicContact CB-CD2 4.13Å; M92-L125 HydrophobicContact CG-CD2 4.27Å
93	H	69.4	Low	64.1	Low	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-41.3	174.3	-78.4	-58.7	0	0	0	113.3	I15 Q53 H89 C90 L91 T96 G97 S122 S126	I15-H93 WeakPolarHBondContact CG2-CE1 3.48Å; I15-H93 VanDerWaalsContact CG2-ND1 3.3Å; I15-H93 WeakPolarHBondContact CG2-ND1 3.45Å; I15-H93 WeakPolarHBondContact CG2-NE2 3.22Å; Q53-H93 PolarHBondContact NE2-ND1 2.86Å; H89-H93 AromaticContact CD2-CD2 3.9Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-CD2 3.28Å; H89-H93 PolarHBondContact CE1-CD2 3.3Å; H89-H93 AromaticContact CE1-NE2 2.95Å; H89-H93 PolarHBondContact CE1-NE2 3.3Å; H89-H93 AromaticContact CG-CD2 3.87Å; H89-H93 AromaticContact CG-NE2 3.91Å; H89-H93 AromaticContact ND1-CD2 3.48Å; H89-H93 PolarHBondContact ND1-CD2 2.98Å; H89-H93 AromaticContact ND1-NE2 3.61Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-CE1 3.99Å; H89-H93 AromaticContact NE2-NE2 2.88Å; H89-H93 PolarHBondContact NE2-NE2 2.92Å; H89-H93 PolarHBondContact O-CD2 3.22Å; H89-H93 PolarHBondContact O-N 3.44Å; C90-H93 WeakPolarHBondContact O-CB 3.22Å; C90-H93 PolarHBondContact O-N 3.44Å; L91-H93 VanDerWaalsContact C-N 3.35Å; H93-T96 PolarHBondContact O-N 3.44Å; H93-G97 PolarHBondContact O-N 3.22Å; H93-S122 PolarHBondContact CE1-OG 2.8Å; H93-S122 PolarHBondContact ND1-OG 2.92Å; H93-S126 PolarHBondContact CE1-OG 3.12Å; H93-S126 PolarHBondContact NE2-OG 3.3Å
94	I	67.9	Low	64.9	Low	21 Å²	21	20.4 Å²	20.4	11%	0.108	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-51.5	175	-69.3	163.7	0	0	0	109.3	L54 L58 C90 L91 T96 G97 Y98	L54-I94 HydrophobicContact CD1-CB 4.16Å; L54-I94 HydrophobicContact CD1-CG1 4.39Å; L54-I94 HydrophobicContact CD1-CG2 3.73Å; L58-I94 HydrophobicContact CD2-CD1 3.74Å; L58-I94 HydrophobicContact CD2-CG1 4.11Å; L58-I94 HydrophobicContact CG-CD1 4.2Å; L58-I94 HydrophobicContact CG-CG1 4.12Å; C90-I94 WeakPolarHBondContact O-CD1 3.21Å; C90-I94 VanDerWaalsContact O-CG1 3.23Å; C90-I94 WeakPolarHBondContact O-CG1 3.25Å; C90-I94 PolarHBondContact O-N 2.9Å; L91-I94 HydrophobicContact CD2-CD1 4.45Å; L91-I94 PolarHBondContact O-N 3.23Å; I94-T96 PolarHBondContact O-N 3.26Å; I94-G97 PolarHBondContact O-N 3.17Å; I94-Y98 HydrophobicContact CG2-CD2 3.86Å; I94-Y98 HydrophobicContact CG2-CE2 3.49Å; I94-Y98 VanDerWaalsContact CG2-CE2 3.49Å; I94-Y98 WeakPolarHBondContact O-CD2 3.41Å; I94-Y98 PolarHBondContact O-N 3.05Å
95	G	65.4	Low	65.5	Low	26 Å²	26	22.9 Å²	22.9	27%	0.268	13%	0.129	S	C	.	.	H	α-helix	trans	-60.6	-43.1	177.7	0	0	0	0	0	113.1	L91 Y98 I99	L91-G95 PolarHBondContact O-N 2.95Å; G95-Y98 PolarHBondContact O-N 3.43Å; G95-I99 WeakPolarHBondContact O-CG1 3.45Å; G95-I99 PolarHBondContact O-N 2.89Å
96	T	68.8	Low	66	Low	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-43.3	177.3	-58.3	0	0	0	0	111.4	M92 H93 I94 Y98 I99 N100 M118 N119	M92-T96 WeakPolarHBondContact O-CB 3.26Å; M92-T96 PolarHBondContact O-N 2.92Å; M92-T96 PolarHBondContact O-OG1 3.45Å; H93-T96 PolarHBondContact O-N 3.44Å; I94-T96 PolarHBondContact O-N 3.26Å; T96-Y98 VanDerWaalsContact C-N 3.33Å; T96-Y98 PolarHBondContact O-N 2.81Å; T96-I99 PolarHBondContact O-N 3.34Å; T96-N100 WeakPolarHBondContact O-CB 3.22Å; T96-N100 PolarHBondContact O-N 3.41Å; T96-N100 PolarHBondContact O-ND2 3.33Å; T96-M118 HydrophobicContact CG2-CB 4.04Å; T96-N119 HydrophobicContact CG2-CB 4.43Å; T96-N119 VanDerWaalsContact CG2-OD1 3.25Å; T96-N119 WeakPolarHBondContact CG2-OD1 3.29Å
97	G	67.7	Low	66.1	Low	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-43.2	174.6	0	0	0	0	0	112.2	H93 I94 N100 I101	H93-G97 PolarHBondContact O-N 3.22Å; I94-G97 PolarHBondContact O-N 3.17Å; G97-N100 PolarHBondContact O-N 3.48Å; G97-I101 WeakPolarHBondContact O-CG1 3.24Å; G97-I101 PolarHBondContact O-N 2.9Å; G97-I101 VanDerWaalsContact O-N 3.09Å
98	Y	65.6	Low	66.2	Low	53 Å²	53	27.8 Å²	27.8	21%	0.208	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-47	173.8	-79.4	-62.3	0	0	0	112.7	L54 I94 G95 T96 N100 I101 L102	L54-Y98 HydrophobicContact CD1-CD2 3.88Å; L54-Y98 HydrophobicContact CD1-CE1 4.38Å; L54-Y98 HydrophobicContact CD1-CE2 3.56Å; L54-Y98 HydrophobicContact CD1-CG 4.41Å; L54-Y98 HydrophobicContact CD2-CD1 4.3Å; L54-Y98 HydrophobicContact CD2-CE1 3.88Å; I94-Y98 HydrophobicContact CG2-CD2 3.86Å; I94-Y98 HydrophobicContact CG2-CE2 3.49Å; I94-Y98 VanDerWaalsContact CG2-CE2 3.49Å; I94-Y98 WeakPolarHBondContact O-CD2 3.41Å; I94-Y98 PolarHBondContact O-N 3.05Å; G95-Y98 PolarHBondContact O-N 3.43Å; T96-Y98 VanDerWaalsContact C-N 3.33Å; T96-Y98 PolarHBondContact O-N 2.81Å; Y98-N100 VanDerWaalsContact C-N 3.27Å; Y98-N100 PolarHBondContact O-N 3.43Å; Y98-I101 PolarHBondContact O-N 2.92Å; Y98-L102 WeakPolarHBondContact O-CG 3.32Å; Y98-L102 PolarHBondContact O-N 2.81Å
99	I	66.3	Low	66.3	Low	12 Å²	12	30.7 Å²	30.7	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-37.3	178.5	-71.4	171.9	0	0	0	110.9	G95 T96 L102 A103 V114 A115 M118 F424	G95-I99 WeakPolarHBondContact O-CG1 3.45Å; G95-I99 PolarHBondContact O-N 2.89Å; T96-I99 PolarHBondContact O-N 3.34Å; I99-L102 PolarHBondContact O-N 3.39Å; I99-A103 VanDerWaalsContact O-CB 3.26Å; I99-A103 WeakPolarHBondContact O-CB 3.43Å; I99-A103 PolarHBondContact O-N 2.89Å; I99-V114 HydrophobicContact CD1-CG1 4.41Å; I99-V114 HydrophobicContact CG2-CG1 3.85Å; I99-A115 HydrophobicContact CG2-CB 4Å; I99-M118 HydrophobicContact CD1-CB 4.45Å; I99-M118 HydrophobicContact CD1-CE 3.8Å; I99-M118 HydrophobicContact CD1-CG 3.68Å; I99-M118 HydrophobicContact CD1-SD 4.22Å; I99-M118 HydrophobicContact CG2-CG 4.46Å; I99-F424 HydrophobicContact CD1-CD2 4.45Å; I99-F424 HydrophobicContact CD1-CE2 4.5Å
100	N	68.2	Low	66.1	Low	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-46.7	175.8	-72.6	-26	0	0	0	111.8	S50 Q53 T96 G97 Y98 L102 A103 L104 A115 N119	S50-N100 WeakPolarHBondContact OG-CB 3.23Å; Q53-N100 PolarHBondContact OE1-ND2 3.34Å; T96-N100 WeakPolarHBondContact O-CB 3.22Å; T96-N100 PolarHBondContact O-N 3.41Å; T96-N100 PolarHBondContact O-ND2 3.33Å; G97-N100 PolarHBondContact O-N 3.48Å; Y98-N100 VanDerWaalsContact C-N 3.27Å; Y98-N100 PolarHBondContact O-N 3.43Å; N100-L102 VanDerWaalsContact C-N 3.27Å; N100-L102 PolarHBondContact O-N 2.84Å; N100-A103 PolarHBondContact O-N 2.9Å; N100-L104 WeakPolarHBondContact O-CB 3.23Å; N100-L104 VanDerWaalsContact O-CG 3.22Å; N100-L104 WeakPolarHBondContact O-CG 3.43Å; N100-L104 PolarHBondContact O-N 3.25Å; N100-A115 WeakPolarHBondContact OD1-CB 3.48Å; N100-N119 PolarHBondContact ND2-ND2 3.45Å; N100-N119 PolarHBondContact ND2-OD1 3.38Å; N100-N119 PolarHBondContact OD1-ND2 2.7Å
101	I	69	Low	66	Low	52 Å²	52	37.2 Å²	37.2	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-41.7	175.6	-65.3	165.1	0	0	0	110.6	L54 G97 Y98 S105	L54-I101 HydrophobicContact CD2-CD1 4.16Å; G97-I101 WeakPolarHBondContact O-CG1 3.24Å; G97-I101 PolarHBondContact O-N 2.9Å; G97-I101 VanDerWaalsContact O-N 3.09Å; Y98-I101 PolarHBondContact O-N 2.92Å; I101-S105 WeakPolarHBondContact O-CB 3.47Å; I101-S105 PolarHBondContact O-N 2.97Å; I101-S105 VanDerWaalsContact O-N 3.08Å; I101-S105 PolarHBondContact O-OG 3.19Å
102	L	66.2	Low	66	Low	39 Å²	39	33.6 Å²	33.6	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-41.3	176.7	-69.5	172	0	0	0	112.6	Y98 I99 N100 S105 D106 M335	Y98-L102 WeakPolarHBondContact O-CG 3.32Å; Y98-L102 PolarHBondContact O-N 2.81Å; I99-L102 PolarHBondContact O-N 3.39Å; N100-L102 VanDerWaalsContact C-N 3.27Å; N100-L102 PolarHBondContact O-N 2.84Å; L102-S105 WeakPolarHBondContact CA-OG 3.47Å; L102-S105 PolarHBondContact O-N 3.43Å; L102-S105 PolarHBondContact O-OG 3.47Å; L102-D106 VanDerWaalsContact O-CB 3.29Å; L102-D106 WeakPolarHBondContact O-CB 3.44Å; L102-D106 PolarHBondContact O-N 2.82Å; L102-M335 HydrophobicContact CD1-CB 4.37Å; L102-M335 HydrophobicContact CD1-CE 3.39Å
103	A	65.2	Low	65.9	Low	1 Å²	1	33.6 Å²	33.6	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-69	-38.5	179.8	0	0	0	0	0	112.4	I99 N100 S105 R107 M111 L112 A115	I99-A103 VanDerWaalsContact O-CB 3.26Å; I99-A103 WeakPolarHBondContact O-CB 3.43Å; I99-A103 PolarHBondContact O-N 2.89Å; N100-A103 PolarHBondContact O-N 2.9Å; A103-S105 VanDerWaalsContact C-N 3.32Å; A103-R107 PolarHBondContact O-N 2.88Å; A103-M111 HydrophobicContact CB-CB 3.96Å; A103-M111 WeakPolarHBondContact CB-O 3.16Å; A103-L112 HydrophobicContact CB-CD2 4.26Å; A103-A115 HydrophobicContact CB-CB 3.52Å
104	L	68.5	Low	65.7	Low	18 Å²	18	33.9 Å²	33.9	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-68.7	-32	175.2	-67.8	171.9	0	0	0	112	L29 L46 S50 N100 R107	L29-L104 HydrophobicContact CD1-CD2 4.06Å; L46-L104 HydrophobicContact CB-CD1 3.82Å; L46-L104 HydrophobicContact CB-CD2 4.09Å; L46-L104 HydrophobicContact CD1-CD2 4.16Å; S50-L104 WeakPolarHBondContact OG-CD1 3.36Å; N100-L104 WeakPolarHBondContact O-CB 3.23Å; N100-L104 VanDerWaalsContact O-CG 3.22Å; N100-L104 WeakPolarHBondContact O-CG 3.43Å; N100-L104 PolarHBondContact O-N 3.25Å; L104-R107 WeakPolarHBondContact O-CG 3.39Å
105	S	65.9	Low	65.8	Low	78 Å²	78	32.9 Å²	32.9	55%	0.545	17%	0.172	S	C	.	.	H	α-helix	trans	-80.1	-42.8	175.9	56.3	0	0	0	0	113.4	I101 L102 A103	I101-S105 WeakPolarHBondContact O-CB 3.47Å; I101-S105 PolarHBondContact O-N 2.97Å; I101-S105 VanDerWaalsContact O-N 3.08Å; I101-S105 PolarHBondContact O-OG 3.19Å; L102-S105 WeakPolarHBondContact CA-OG 3.47Å; L102-S105 PolarHBondContact O-N 3.43Å; L102-S105 PolarHBondContact O-OG 3.47Å; A103-S105 VanDerWaalsContact C-N 3.32Å
106	D	64.5	Low	65.9	Low	31 Å²	31	31.7 Å²	31.7	17%	0.166	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-33	178.8	-177.9	52.2	0	0	0	112.1	L102 G108 M111 R343	L102-D106 VanDerWaalsContact O-CB 3.29Å; L102-D106 WeakPolarHBondContact O-CB 3.44Å; L102-D106 PolarHBondContact O-N 2.82Å; D106-G108 PolarHBondContact O-N 2.96Å; D106-G108 PolarHBondContact OD2-N 3.02Å; D106-M111 HydrophobicContact CB-CB 4.3Å; D106-M111 HydrophobicContact CB-CG 4.03Å; D106-M111 WeakPolarHBondContact OD2-CG 3.25Å; D106-R343 PolarHBondContact O-NH2 3.36Å; D106-R343 IonicContact OD1-CZ 3.23Å; D106-R343 VanDerWaalsContact OD1-CZ 3.23Å; D106-R343 IonicContact OD1-NE 3.06Å; D106-R343 PolarHBondContact OD1-NE 2.92Å; D106-R343 IonicContact OD1-NH2 2.69Å; D106-R343 PolarHBondContact OD1-NH2 3.38Å
107	R	62.3	Low	65.9	Low	128 Å²	128	32 Å²	32	48%	0.483	16%	0.161	S	C	.	.			trans	59.5	2.6	-179.4	-53.4	169.1	-177.5	170.7	-3.7	114.3	A103 L104	A103-R107 PolarHBondContact O-N 2.88Å; L104-R107 WeakPolarHBondContact O-CG 3.39Å
108	G	61.3	Low	66.1	Low	15 Å²	15	32.2 Å²	32.2	16%	0.155	16%	0.162	C	C	.	.			trans	-68.4	138.5	177.9	0	0	0	0	0	110.6	D106 R110 M111 L112	D106-G108 PolarHBondContact O-N 2.96Å; D106-G108 PolarHBondContact OD2-N 3.02Å; G108-R110 PolarHBondContact O-N 2.81Å; G108-R110 VanDerWaalsContact O-N 3.15Å; G108-M111 PolarHBondContact O-N 3.49Å; G108-L112 PolarHBondContact O-N 3.3Å; G108-L112 VanDerWaalsContact O-N 3.1Å
109	P	61.9	Low	66.4	Low	67 Å²	67	29.7 Å²	29.7	44%	0.435	15%	0.152	S	C	.	.	H	α-helix	trans	-55.6	-34.8	177	22.2	-31.6	0	0	0	111.5	L112 I113	P109-L112 PolarHBondContact O-N 3.32Å; P109-I113 VanDerWaalsContact O-CD1 3.3Å; P109-I113 WeakPolarHBondContact O-CD1 3.37Å; P109-I113 WeakPolarHBondContact O-CG1 3.21Å; P109-I113 PolarHBondContact O-N 2.93Å
110	R	62.2	Low	66.4	Low	116 Å²	116	29.9 Å²	29.9	44%	0.438	15%	0.153	S	C	.	.	H	α-helix	trans	-65.7	-45.5	179.8	-66.6	-178.9	178.4	161.4	-2.7	113.3	G108 L112 I113 V114 I346 V417	G108-R110 PolarHBondContact O-N 2.81Å; G108-R110 VanDerWaalsContact O-N 3.15Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-I113 WeakPolarHBondContact O-CB 3.19Å; R110-I113 PolarHBondContact O-N 2.87Å; R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 2.81Å; R110-I346 VanDerWaalsContact NH1-CG2 3.3Å; R110-V417 HydrophobicContact CB-CG1 4.3Å; R110-V417 HydrophobicContact CG-CG1 4.46Å
111	M	63.9	Low	66.4	Low	22 Å²	22	30.8 Å²	30.8	11%	0.108	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-35.2	176.7	-72.2	-61.8	-164	0	0	111.3	A103 D106 G108 I113 V114 A115 A339 W342	A103-M111 HydrophobicContact CB-CB 3.96Å; A103-M111 WeakPolarHBondContact CB-O 3.16Å; D106-M111 HydrophobicContact CB-CB 4.3Å; D106-M111 HydrophobicContact CB-CG 4.03Å; D106-M111 WeakPolarHBondContact OD2-CG 3.25Å; G108-M111 PolarHBondContact O-N 3.49Å; M111-I113 VanDerWaalsContact C-N 3.3Å; M111-I113 PolarHBondContact O-N 2.87Å; M111-V114 PolarHBondContact O-N 3.48Å; M111-A115 WeakPolarHBondContact O-CB 3.36Å; M111-A115 PolarHBondContact O-N 3.3Å; M111-A339 HydrophobicContact CE-CB 4.47Å; M111-W342 HydrophobicContact CE-CB 4.37Å; M111-W342 HydrophobicContact CE-CG 4.29Å
112	L	66.7	Low	66.5	Low	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-34.5	172.5	-71.5	170	0	0	0	112.5	L29 L30 A103 G108 P109 R110 T116	L29-L112 HydrophobicContact CB-CD1 4.22Å; L29-L112 HydrophobicContact CB-CD2 4.47Å; L29-L112 HydrophobicContact CD1-CD2 4.23Å; L30-L112 HydrophobicContact CD2-CB 3.53Å; L30-L112 HydrophobicContact CD2-CD1 4.48Å; L30-L112 HydrophobicContact CG-CB 4.16Å; A103-L112 HydrophobicContact CB-CD2 4.26Å; G108-L112 PolarHBondContact O-N 3.3Å; G108-L112 VanDerWaalsContact O-N 3.1Å; P109-L112 PolarHBondContact O-N 3.32Å; R110-L112 VanDerWaalsContact C-N 3.32Å; L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 3.26Å
113	I	66.4	Low	66.5	Low	24 Å²	24	26.7 Å²	26.7	12%	0.123	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-50.4	172.9	-70.4	158.1	0	0	0	110.5	L30 P109 R110 M111 A115 T116 I117 M187 L418	L30-I113 HydrophobicContact CD1-CG1 4.17Å; L30-I113 HydrophobicContact CD2-CG1 3.81Å; P109-I113 VanDerWaalsContact O-CD1 3.3Å; P109-I113 WeakPolarHBondContact O-CD1 3.37Å; P109-I113 WeakPolarHBondContact O-CG1 3.21Å; P109-I113 PolarHBondContact O-N 2.93Å; R110-I113 WeakPolarHBondContact O-CB 3.19Å; R110-I113 PolarHBondContact O-N 2.87Å; M111-I113 VanDerWaalsContact C-N 3.3Å; M111-I113 PolarHBondContact O-N 2.87Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.01Å; I113-T116 WeakPolarHBondContact O-CB 3.22Å; I113-T116 PolarHBondContact O-N 3.34Å; I113-T116 VanDerWaalsContact O-N 3.12Å; I113-I117 HydrophobicContact CG2-CD1 3.9Å; I113-I117 WeakPolarHBondContact O-CG1 3.26Å; I113-I117 PolarHBondContact O-N 2.97Å; I113-M187 HydrophobicContact CB-CE 4.03Å; I113-M187 HydrophobicContact CD1-CE 3.22Å; I113-M187 HydrophobicContact CD1-SD 4.1Å; I113-M187 HydrophobicContact CG1-CE 3.33Å; I113-M187 HydrophobicContact CG1-SD 4.02Å; I113-M187 HydrophobicContact CG2-CE 3.49Å; I113-M187 VanDerWaalsContact CG2-CE 3.49Å; I113-L418 HydrophobicContact CG2-CD2 4.5Å
114	V	65.2	Low	66.5	Low	6 Å²	6	29 Å²	29	4%	0.036	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-46.8	177.9	172.3	0	0	0	0	110.2	I99 R110 M111 T116 I117 M118 V417	I99-V114 HydrophobicContact CD1-CG1 4.41Å; I99-V114 HydrophobicContact CG2-CG1 3.85Å; R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 2.81Å; M111-V114 PolarHBondContact O-N 3.48Å; V114-T116 PolarHBondContact O-N 3.29Å; V114-I117 PolarHBondContact O-N 3.12Å; V114-M118 HydrophobicContact CG1-CG 4.39Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 VanDerWaalsContact O-CG 3.26Å; V114-M118 WeakPolarHBondContact O-CG 3.41Å; V114-M118 PolarHBondContact O-N 3.34Å; V114-V417 HydrophobicContact CG2-CG1 4.39Å
115	A	70.3	Confident	66.4	Low	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-42.7	174.4	0	0	0	0	0	112.7	I99 N100 A103 M111 I113 I117 M118 N119	I99-A115 HydrophobicContact CG2-CB 4Å; N100-A115 WeakPolarHBondContact OD1-CB 3.48Å; A103-A115 HydrophobicContact CB-CB 3.52Å; M111-A115 WeakPolarHBondContact O-CB 3.36Å; M111-A115 PolarHBondContact O-N 3.3Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.01Å; A115-I117 PolarHBondContact O-N 3.2Å; A115-M118 PolarHBondContact O-N 2.73Å; A115-N119 WeakPolarHBondContact O-CB 3.35Å; A115-N119 PolarHBondContact O-N 3.46Å; A115-N119 PolarHBondContact O-ND2 2.55Å
116	T	67.3	Low	66.5	Low	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-46.5	178.5	-57.9	0	0	0	0	110.7	F23 R27 L30 L112 I113 V114 N119 E120	F23-T116 HydrophobicContact CD2-CG2 3.74Å; F23-T116 WeakPolarHBondContact CD2-O 3.42Å; F23-T116 HydrophobicContact CE2-CG2 3.55Å; R27-T116 HydrophobicContact CB-CG2 4.35Å; L30-T116 HydrophobicContact CD1-CG2 4.49Å; L30-T116 WeakPolarHBondContact CD1-OG1 3.26Å; L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 3.26Å; I113-T116 WeakPolarHBondContact O-CB 3.22Å; I113-T116 PolarHBondContact O-N 3.34Å; I113-T116 VanDerWaalsContact O-N 3.12Å; V114-T116 PolarHBondContact O-N 3.29Å; T116-N119 PolarHBondContact O-N 2.72Å; T116-E120 WeakPolarHBondContact O-CB 3.43Å; T116-E120 PolarHBondContact O-N 3.39Å
117	I	69.8	Low	66.4	Low	8 Å²	8	27.4 Å²	27.4	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-41.1	179.9	-66.3	169.4	0	0	0	111.2	I113 V114 A115 E120 L121 L183 L418	I113-I117 HydrophobicContact CG2-CD1 3.9Å; I113-I117 WeakPolarHBondContact O-CG1 3.26Å; I113-I117 PolarHBondContact O-N 2.97Å; V114-I117 PolarHBondContact O-N 3.12Å; A115-I117 PolarHBondContact O-N 3.2Å; I117-E120 WeakPolarHBondContact O-CB 3.19Å; I117-E120 PolarHBondContact O-N 2.69Å; I117-L121 HydrophobicContact CG2-CD1 4.03Å; I117-L121 HydrophobicContact CG2-CG 4.4Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.33Å; I117-L183 HydrophobicContact CG1-CD2 4.33Å; I117-L418 HydrophobicContact CD1-CD1 4.49Å; I117-L418 HydrophobicContact CD1-CD2 3.17Å; I117-L418 HydrophobicContact CD1-CG 4.45Å
118	M	72	Confident	66.3	Low	4 Å²	4	23.2 Å²	23.2	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-40.5	177.4	-71.5	-67.2	-65.4	0	0	112	M92 T96 I99 V114 A115 E120 L121 S122	M92-M118 HydrophobicContact CE-CE 3.43Å; M92-M118 VanDerWaalsContact CE-CE 3.43Å; M92-M118 HydrophobicContact CE-SD 3.8Å; M92-M118 HydrophobicContact SD-CE 3.66Å; T96-M118 HydrophobicContact CG2-CB 4.04Å; I99-M118 HydrophobicContact CD1-CB 4.45Å; I99-M118 HydrophobicContact CD1-CE 3.8Å; I99-M118 HydrophobicContact CD1-CG 3.68Å; I99-M118 HydrophobicContact CD1-SD 4.22Å; I99-M118 HydrophobicContact CG2-CG 4.46Å; V114-M118 HydrophobicContact CG1-CG 4.39Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 VanDerWaalsContact O-CG 3.26Å; V114-M118 WeakPolarHBondContact O-CG 3.41Å; V114-M118 PolarHBondContact O-N 3.34Å; A115-M118 PolarHBondContact O-N 2.73Å; M118-E120 VanDerWaalsContact C-N 3.33Å; M118-L121 PolarHBondContact O-N 3.48Å; M118-S122 WeakPolarHBondContact O-CB 3.37Å; M118-S122 PolarHBondContact O-N 2.77Å
119	N	71.4	Confident	66.3	Low	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-37.7	172.8	-74.8	-58.8	0	0	0	112.2	F23 T96 N100 A115 T116 A123	F23-N119 HydrophobicContact CB-CB 3.9Å; F23-N119 HydrophobicContact CD2-CB 4.5Å; T96-N119 HydrophobicContact CG2-CB 4.43Å; T96-N119 VanDerWaalsContact CG2-OD1 3.25Å; T96-N119 WeakPolarHBondContact CG2-OD1 3.29Å; N100-N119 PolarHBondContact ND2-ND2 3.45Å; N100-N119 PolarHBondContact ND2-OD1 3.38Å; N100-N119 PolarHBondContact OD1-ND2 2.7Å; A115-N119 WeakPolarHBondContact O-CB 3.35Å; A115-N119 PolarHBondContact O-N 3.46Å; A115-N119 PolarHBondContact O-ND2 2.55Å; T116-N119 PolarHBondContact O-N 2.72Å; N119-A123 WeakPolarHBondContact O-CB 3.41Å; N119-A123 PolarHBondContact O-N 3.09Å
120	E	65.7	Low	66.2	Low	15 Å²	15	22 Å²	22	7%	0.07	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-52.5	175.3	-170.4	174	-178.4	0	0	110.7	F23 T116 I117 M118 S122 A123 L124 I179	F23-E120 HydrophobicContact CD2-CB 3.94Å; F23-E120 HydrophobicContact CE2-CB 3.75Å; F23-E120 HydrophobicContact CE2-CG 4.09Å; T116-E120 WeakPolarHBondContact O-CB 3.43Å; T116-E120 PolarHBondContact O-N 3.39Å; I117-E120 WeakPolarHBondContact O-CB 3.19Å; I117-E120 PolarHBondContact O-N 2.69Å; M118-E120 VanDerWaalsContact C-N 3.33Å; E120-S122 VanDerWaalsContact C-N 3.33Å; E120-S122 PolarHBondContact O-N 3.17Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-L124 HydrophobicContact CG-CD1 4.2Å; E120-L124 WeakPolarHBondContact O-CB 3.09Å; E120-L124 VanDerWaalsContact O-CG 3.23Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 3.27Å; E120-I179 WeakPolarHBondContact OE1-CG2 3.17Å
121	L	69	Low	65.8	Low	20 Å²	20	18.4 Å²	18.4	11%	0.105	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-43.5	177	-70.2	172	0	0	0	112	M92 I117 M118 L124 L125 L404 L408	M92-L121 HydrophobicContact CE-CB 3.57Å; M92-L121 HydrophobicContact CE-CD1 4.24Å; I117-L121 HydrophobicContact CG2-CD1 4.03Å; I117-L121 HydrophobicContact CG2-CG 4.4Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.33Å; M118-L121 PolarHBondContact O-N 3.48Å; L121-L124 PolarHBondContact O-N 2.98Å; L121-L125 WeakPolarHBondContact O-CB 3.18Å; L121-L125 PolarHBondContact O-N 3.45Å; L121-L404 HydrophobicContact CD2-CD2 4.24Å; L121-L408 HydrophobicContact CD1-CD1 3.94Å; L121-L408 HydrophobicContact CD1-CD2 4.4Å; L121-L408 HydrophobicContact CD2-CD1 4.14Å
122	S	70.1	Confident	65.3	Low	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-45.3	175.3	162.9	0	0	0	0	111.7	S19 H93 M118 E120 S126	S19-S122 PolarHBondContact OG-OG 3.45Å; H93-S122 PolarHBondContact CE1-OG 2.8Å; H93-S122 PolarHBondContact ND1-OG 2.92Å; M118-S122 WeakPolarHBondContact O-CB 3.37Å; M118-S122 PolarHBondContact O-N 2.77Å; E120-S122 VanDerWaalsContact C-N 3.33Å; E120-S122 PolarHBondContact O-N 3.17Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.48Å; S122-S126 PolarHBondContact O-N 3.05Å; S122-S126 PolarHBondContact O-OG 3.46Å
123	A	66.4	Low	64.5	Low	5 Å²	5	18.6 Å²	18.6	4%	0.041	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-39	177.3	0	0	0	0	0	111.7	L20 N119 E120 S126 L127	L20-A123 HydrophobicContact CD2-CB 3.89Å; L20-A123 HydrophobicContact CG-CB 4.36Å; N119-A123 WeakPolarHBondContact O-CB 3.41Å; N119-A123 PolarHBondContact O-N 3.09Å; E120-A123 PolarHBondContact O-N 3.28Å; A123-S126 CarbonylContact O-C 3.57Å; A123-S126 WeakPolarHBondContact O-CA 3.01Å; A123-S126 WeakPolarHBondContact O-CB 3.42Å; A123-S126 PolarHBondContact O-N 3.05Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.83Å
124	L	66	Low	63.7	Low	49 Å²	49	21.9 Å²	21.9	26%	0.257	11%	0.113	S	C	.	.	H	α-helix	trans	-66.4	-46.8	176.3	-70.7	176	0	0	0	112.1	E120 L121 S126 L127 Y128 S176	E120-L124 HydrophobicContact CG-CD1 4.2Å; E120-L124 WeakPolarHBondContact O-CB 3.09Å; E120-L124 VanDerWaalsContact O-CG 3.23Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 2.98Å; L124-S126 PolarHBondContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 2.86Å; L124-Y128 WeakPolarHBondContact O-CB 3.22Å; L124-Y128 PolarHBondContact O-N 3.35Å; L124-S176 WeakPolarHBondContact CD1-OG 3.19Å; L124-S176 WeakPolarHBondContact CD2-OG 3.48Å
125	L	66.8	Low	62.9	Low	31 Å²	31	24.5 Å²	24.5	16%	0.162	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-30.9	172.8	-165	70.6	0	0	0	110.7	Y12 H89 M92 L121 Y128 L129 L401	Y12-L125 PolarHBondContact OH-O 2.96Å; H89-L125 HydrophobicContact CB-CD2 4Å; H89-L125 HydrophobicContact CB-CG 4.48Å; M92-L125 HydrophobicContact CB-CD2 4.13Å; M92-L125 HydrophobicContact CG-CD2 4.27Å; L121-L125 WeakPolarHBondContact O-CB 3.18Å; L121-L125 PolarHBondContact O-N 3.45Å; L125-Y128 WeakPolarHBondContact O-CB 3.07Å; L125-Y128 PolarHBondContact O-N 2.92Å; L125-L129 HydrophobicContact CG-CD1 4.35Å; L125-L129 PolarHBondContact O-N 3.48Å; L125-L401 HydrophobicContact CD1-CD2 4.09Å
126	S	67.5	Low	61.8	Low	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.2	-44.3	174.3	-51.5	0	0	0	0	113.2	Y12 H89 H93 S122 A123 L124 Y128 L129 L130	Y12-S126 WeakPolarHBondContact CE1-O 3.17Å; Y12-S126 WeakPolarHBondContact OH-CA 3.47Å; Y12-S126 PolarHBondContact OH-O 2.84Å; H89-S126 WeakPolarHBondContact NE2-CA 3.42Å; H89-S126 WeakPolarHBondContact NE2-CB 3.12Å; H89-S126 PolarHBondContact NE2-OG 2.94Å; H93-S126 PolarHBondContact CE1-OG 3.12Å; H93-S126 PolarHBondContact NE2-OG 3.3Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.48Å; S122-S126 PolarHBondContact O-N 3.05Å; S122-S126 PolarHBondContact O-OG 3.46Å; A123-S126 CarbonylContact O-C 3.57Å; A123-S126 WeakPolarHBondContact O-CA 3.01Å; A123-S126 WeakPolarHBondContact O-CB 3.42Å; A123-S126 PolarHBondContact O-N 3.05Å; L124-S126 PolarHBondContact O-N 3.11Å; S126-Y128 PolarHBondContact O-N 3.42Å; S126-L129 PolarHBondContact O-N 3.17Å; S126-L130 PolarHBondContact O-N 2.89Å; S126-L130 VanDerWaalsContact O-N 3.07Å
127	L	63.1	Low	61	Low	63 Å²	63	28.3 Å²	28.3	33%	0.33	15%	0.151	S	C	.	.	H	α-helix	trans	-62.8	-35.5	173.5	-70.1	170	0	0	0	110.8	V16 A123 L124 L130	V16-L127 HydrophobicContact CG1-CD2 4.31Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.83Å; L124-L127 PolarHBondContact O-N 2.86Å; L127-L130 WeakPolarHBondContact O-CB 3.08Å
128	Y	58.8	Low	59.8	Low	39 Å²	39	30.2 Å²	30.2	15%	0.153	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-63.2	173.7	-173.3	-93.4	0	0	0	111.1	L124 L125 S126 L130 H131 H169 M397 M400	L124-Y128 WeakPolarHBondContact O-CB 3.22Å; L124-Y128 PolarHBondContact O-N 3.35Å; L125-Y128 WeakPolarHBondContact O-CB 3.07Å; L125-Y128 PolarHBondContact O-N 2.92Å; S126-Y128 PolarHBondContact O-N 3.42Å; Y128-L130 PolarHBondContact O-N 3.22Å; Y128-L130 VanDerWaalsContact O-N 3.09Å; Y128-H131 AromaticContact CE1-CE1 3.82Å; Y128-H131 PolarHBondContact O-N 3.26Å; Y128-H131 PolarHBondContact O-ND1 3.47Å; Y128-H169 AromaticContact CD2-CD2 3.37Å; Y128-H169 WeakPolarHBondContact CD2-CD2 3.35Å; Y128-H169 AromaticContact CD2-NE2 3.63Å; Y128-H169 AromaticContact CE2-CD2 3.32Å; Y128-H169 WeakPolarHBondContact CE2-CD2 3.48Å; Y128-H169 AromaticContact CE2-NE2 3.64Å; Y128-M397 HydrophobicContact CD1-SD 4.42Å; Y128-M397 HydrophobicContact CE1-CB 4.48Å; Y128-M397 HydrophobicContact CE1-CG 3.53Å; Y128-M397 HydrophobicContact CE1-SD 3.48Å; Y128-M397 WeakPolarHBondContact CE1-SD 3.47Å; Y128-M397 VanDerWaalsContact OH-CB 3.27Å; Y128-M397 WeakPolarHBondContact OH-CB 3.36Å; Y128-M397 WeakPolarHBondContact OH-CG 3.48Å; Y128-M400 HydrophobicContact CE2-CE 3.81Å
129	L	60.8	Low	58.4	Low	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-76.8	3.1	-175.4	-50.1	158.7	0	0	0	114.1	Y12 E85 H89 L125 S126 H131 V132 P133 M397	Y12-L129 HydrophobicContact CE2-CB 4.27Å; Y12-L129 VanDerWaalsContact OH-CA 3.24Å; Y12-L129 WeakPolarHBondContact OH-CA 3.49Å; Y12-L129 WeakPolarHBondContact OH-CB 3.42Å; Y12-L129 PolarHBondContact OH-N 3Å; E85-L129 HydrophobicContact CB-CD2 4Å; H89-L129 HydrophobicContact CB-CD1 3.2Å; L125-L129 HydrophobicContact CG-CD1 4.35Å; L125-L129 PolarHBondContact O-N 3.48Å; S126-L129 PolarHBondContact O-N 3.17Å; L129-H131 PolarHBondContact O-N 3.3Å; L129-V132 HydrophobicContact CB-CG2 4.22Å; L129-V132 HydrophobicContact CD2-CG2 4.03Å; L129-V132 WeakPolarHBondContact O-CB 3.14Å; L129-V132 PolarHBondContact O-N 2.99Å; L129-P133 WeakPolarHBondContact O-CD 3.28Å; L129-M397 HydrophobicContact CD2-SD 4.49Å
130	L	60.9	Low	57.3	Low	56 Å²	56	35.4 Å²	35.4	29%	0.293	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.9	169.1	-162	106.9	0	0	0	110.6	Y12 V16 S126 L127 Y128 V132 P133 L134	Y12-L130 HydrophobicContact CD1-CD1 3.81Å; Y12-L130 HydrophobicContact CE1-CB 3.9Å; Y12-L130 HydrophobicContact CE1-CD1 3.79Å; Y12-L130 HydrophobicContact CE1-CG 4.33Å; Y12-L130 PolarHBondContact OH-N 2.74Å; Y12-L130 VanDerWaalsContact OH-N 3.12Å; V16-L130 HydrophobicContact CG2-CD1 4.5Å; S126-L130 PolarHBondContact O-N 2.89Å; S126-L130 VanDerWaalsContact O-N 3.07Å; L127-L130 WeakPolarHBondContact O-CB 3.08Å; Y128-L130 PolarHBondContact O-N 3.22Å; Y128-L130 VanDerWaalsContact O-N 3.09Å; L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 2.95Å; L130-P133 WeakPolarHBondContact O-CD 3.23Å; L130-L134 HydrophobicContact CD2-CD1 3.64Å; L130-L134 HydrophobicContact CG-CD1 4.18Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CD1 3.17Å; L130-L134 VanDerWaalsContact O-CG 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.49Å
131	H	54.6	Low	56.6	Low	40 Å²	40	38.2 Å²	38.2	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-28.8	175.5	82.5	-92.6	0	0	0	113	Y128 L129 L134 S135	Y128-H131 AromaticContact CE1-CE1 3.82Å; Y128-H131 PolarHBondContact O-N 3.26Å; Y128-H131 PolarHBondContact O-ND1 3.47Å; L129-H131 PolarHBondContact O-N 3.3Å; H131-L134 PolarHBondContact O-N 2.84Å; H131-S135 WeakPolarHBondContact O-CB 3.37Å; H131-S135 PolarHBondContact O-N 3.41Å; H131-S135 PolarHBondContact O-OG 3.46Å; H131-S135 VanDerWaalsContact O-OG 3.08Å
132	V	51.6	Low	55.3	Low	16 Å²	16	39.6 Å²	39.6	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-52.9	-176.5	179.6	0	0	0	0	112.5	A82 T86 L129 L130 L134 S135 M136	A82-V132 HydrophobicContact CB-CG1 3.89Å; A82-V132 HydrophobicContact CB-CG2 4.12Å; T86-V132 HydrophobicContact CG2-CG1 4.23Å; L129-V132 HydrophobicContact CB-CG2 4.22Å; L129-V132 HydrophobicContact CD2-CG2 4.03Å; L129-V132 WeakPolarHBondContact O-CB 3.14Å; L129-V132 PolarHBondContact O-N 2.99Å; L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 2.95Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 3.45Å; V132-S135 PolarHBondContact O-N 2.99Å; V132-S135 PolarHBondContact O-OG 2.66Å; V132-M136 WeakPolarHBondContact O-CB 3.37Å; V132-M136 WeakPolarHBondContact O-CG 3.37Å; V132-M136 PolarHBondContact O-N 2.86Å
133	P	50.4	Low	54.2	Low	12 Å²	12	46.9 Å²	46.9	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-30.7	174.8	24	-29.6	0	0	0	112	S9 L129 L130 L137	S9-P133 WeakPolarHBondContact OG-CB 3.32Å; L129-P133 WeakPolarHBondContact O-CD 3.28Å; L130-P133 WeakPolarHBondContact O-CD 3.23Å; P133-L137 VanDerWaalsContact O-CB 3.31Å; P133-L137 WeakPolarHBondContact O-CB 3.37Å; P133-L137 PolarHBondContact O-N 2.88Å
134	L	51	Low	53.4	Low	93 Å²	93	55 Å²	55	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-70.2	-38.9	175.4	-72.1	174.7	0	0	0	112.7	L130 H131 V132 L137 S138	L130-L134 HydrophobicContact CD2-CD1 3.64Å; L130-L134 HydrophobicContact CG-CD1 4.18Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CD1 3.17Å; L130-L134 VanDerWaalsContact O-CG 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.49Å; H131-L134 PolarHBondContact O-N 2.84Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 3.45Å; L134-L137 PolarHBondContact O-N 2.95Å; L134-S138 WeakPolarHBondContact O-CB 3.13Å; L134-S138 PolarHBondContact O-N 3.28Å
135	S	47.2	Very low	52.3	Low	60 Å²	60	59.6 Å²	59.6	42%	0.42	28%	0.283	S	S	.	.	H	α-helix	trans	-70.4	-38.1	175.5	69.7	0	0	0	0	110.7	H131 V132 S138 F139	H131-S135 WeakPolarHBondContact O-CB 3.37Å; H131-S135 PolarHBondContact O-N 3.41Å; H131-S135 PolarHBondContact O-OG 3.46Å; H131-S135 VanDerWaalsContact O-OG 3.08Å; V132-S135 PolarHBondContact O-N 2.99Å; V132-S135 PolarHBondContact O-OG 2.66Å; S135-S138 WeakPolarHBondContact O-CB 3.35Å; S135-S138 PolarHBondContact O-N 3.48Å; S135-F139 WeakPolarHBondContact O-CB 3.31Å; S135-F139 PolarHBondContact O-N 3.04Å
136	M	48.1	Very low	51.2	Low	30 Å²	30	61.9 Å²	61.9	15%	0.148	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-40	169.8	-80.2	-78.2	153.2	0	0	112.4	L81 V132 F139 V140	L81-M136 HydrophobicContact CD1-CE 3.36Å; L81-M136 HydrophobicContact CD1-SD 3.87Å; L81-M136 HydrophobicContact CG-CE 3.82Å; V132-M136 WeakPolarHBondContact O-CB 3.37Å; V132-M136 WeakPolarHBondContact O-CG 3.37Å; V132-M136 PolarHBondContact O-N 2.86Å; M136-F139 PolarHBondContact O-N 3.37Å; M136-V140 WeakPolarHBondContact O-CB 3.49Å; M136-V140 VanDerWaalsContact O-CG2 3.23Å; M136-V140 WeakPolarHBondContact O-CG2 3.13Å; M136-V140 PolarHBondContact O-N 3.33Å
137	L	49	Very low	50.2	Low	51 Å²	51	67 Å²	67	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-45.6	174	-167.6	84.8	0	0	0	110.4	F2 P133 L134 F139 V140 L141	F2-L137 HydrophobicContact CE2-CD1 3.92Å; P133-L137 VanDerWaalsContact O-CB 3.31Å; P133-L137 WeakPolarHBondContact O-CB 3.37Å; P133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 2.95Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 2.9Å; L137-V140 PolarHBondContact O-N 2.88Å; L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.21Å; L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.5Å; L137-L141 PolarHBondContact O-N 3.05Å
138	S	44.8	Very low	49.4	Very low	49 Å²	49	71.2 Å²	71.2	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-44.3	174.5	-175.1	0	0	0	0	111.3	L134 S135 L141 E142	L134-S138 WeakPolarHBondContact O-CB 3.13Å; L134-S138 PolarHBondContact O-N 3.28Å; S135-S138 WeakPolarHBondContact O-CB 3.35Å; S135-S138 PolarHBondContact O-N 3.48Å; S138-L141 PolarHBondContact O-N 3.26Å; S138-E142 VanDerWaalsContact O-CB 3.23Å; S138-E142 WeakPolarHBondContact O-CB 3.05Å; S138-E142 PolarHBondContact O-N 2.68Å
139	F	44	Very low	48.7	Very low	74 Å²	74	73.7 Å²	73.7	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-39.9	176.6	-176.2	-101.1	0	0	0	112.8	F78 S135 M136 L137 E142 R143	F78-F139 HydrophobicContact CE1-CE1 4.28Å; F78-F139 HydrophobicContact CE1-CZ 4.43Å; S135-F139 WeakPolarHBondContact O-CB 3.31Å; S135-F139 PolarHBondContact O-N 3.04Å; M136-F139 PolarHBondContact O-N 3.37Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 2.9Å; F139-E142 WeakPolarHBondContact O-CB 3.45Å; F139-E142 PolarHBondContact O-N 3.12Å; F139-R143 PolarHBondContact O-N 3.06Å
140	V	46.6	Very low	47.8	Very low	39 Å²	39	83.9 Å²	83.9	24%	0.236	41%	0.414	C	S	.	.	H	α-helix	trans	-68.5	-37.1	176	172.7	0	0	0	0	111.2	F2 M136 L137 R144	F2-V140 HydrophobicContact CB-CG1 4.38Å; F2-V140 HydrophobicContact CD2-CG1 3.83Å; M136-V140 WeakPolarHBondContact O-CB 3.49Å; M136-V140 VanDerWaalsContact O-CG2 3.23Å; M136-V140 WeakPolarHBondContact O-CG2 3.13Å; M136-V140 PolarHBondContact O-N 3.33Å; L137-V140 PolarHBondContact O-N 2.88Å; V140-R144 PolarHBondContact O-N 3.13Å
141	L	51.1	Low	46.8	Very low	73 Å²	73	85.1 Å²	85.1	38%	0.382	42%	0.424	S	S	.	.	H	α-helix	trans	-66.7	-42.1	171.7	-69.4	169.3	0	0	0	110.9	L137 S138 R143 R144 W145	L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.21Å; L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.5Å; L137-L141 PolarHBondContact O-N 3.05Å; S138-L141 PolarHBondContact O-N 3.26Å; L141-R143 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 2.5Å; L141-R144 VanDerWaalsContact O-N 3.12Å; L141-W145 PolarHBondContact O-N 3.32Å
142	E	43.7	Very low	46.2	Very low	49 Å²	49	88.6 Å²	88.6	23%	0.229	45%	0.45	C	S	.	.	H	α-helix	trans	-58.5	-43.2	175.5	-177.2	178.4	-158.4	0	0	111.1	S138 F139 R144 W145 S146 R158	S138-E142 VanDerWaalsContact O-CB 3.23Å; S138-E142 WeakPolarHBondContact O-CB 3.05Å; S138-E142 PolarHBondContact O-N 2.68Å; F139-E142 WeakPolarHBondContact O-CB 3.45Å; F139-E142 PolarHBondContact O-N 3.12Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.07Å; E142-W145 PolarHBondContact O-N 3.12Å; E142-S146 WeakPolarHBondContact O-CA 3.47Å; E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.9Å; E142-S146 PolarHBondContact O-OG 3.2Å; E142-R158 IonicContact OE1-NH1 2.7Å; E142-R158 PolarHBondContact OE1-NH1 3.39Å; E142-R158 IonicContact OE2-CZ 2.89Å; E142-R158 IonicContact OE2-NH1 3.09Å; E142-R158 PolarHBondContact OE2-NH1 3.33Å; E142-R158 VanDerWaalsContact OE2-NH1 3.17Å
143	R	46.3	Very low	45.6	Very low	153 Å²	153	95.1 Å²	95.1	58%	0.577	48%	0.477	S	S	*	.	H	α-helix	trans	-69.9	-28.4	177.6	-147.6	175.1	-172.9	179.6	2.6	112.9	F139 L141 T147	F139-R143 PolarHBondContact O-N 3.06Å; L141-R143 PolarHBondContact O-N 2.97Å; R143-T147 WeakPolarHBondContact O-CG2 3.45Å; R143-T147 PolarHBondContact O-OG1 2.6Å
144	R	48.4	Very low	45.2	Very low	175 Å²	175	99 Å²	99	66%	0.66	49%	0.491	S	S	*	.	H	α-helix	trans	-81	-24.8	178.4	-147.6	178.5	-168.7	-177.2	0.9	112.9	V140 L141 E142 T147	V140-R144 PolarHBondContact O-N 3.13Å; L141-R144 PolarHBondContact O-N 2.5Å; L141-R144 VanDerWaalsContact O-N 3.12Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.07Å; R144-T147 PolarHBondContact O-OG1 3.49Å; R144-T147 VanDerWaalsContact O-OG1 3.13Å
145	W	43.4	Very low	44.6	Very low	147 Å²	147	101.8 Å²	101.8	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-103.6	-26.8	177.8	-81	-3.7	0	0	0	114.3	L141 E142 T147 Q148 T149 Y154	L141-W145 PolarHBondContact O-N 3.32Å; E142-W145 PolarHBondContact O-N 3.12Å; W145-T147 PolarHBondContact O-N 3.36Å; W145-Q148 CarbonylContact O-C 3.59Å; W145-Q148 WeakPolarHBondContact O-CA 3.26Å; W145-Q148 PolarHBondContact O-N 3.46Å; W145-T149 PolarHBondContact O-N 3.37Å; W145-T149 PolarHBondContact O-OG1 3.28Å; W145-Y154 AromaticContact CE3-CE2 3.96Å; W145-Y154 HydrophobicContact CE3-CE2 3.96Å; W145-Y154 HydrophobicContact CZ3-CE2 4.28Å
146	S	43.2	Very low	44.1	Very low	78 Å²	78	105.7 Å²	105.7	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-68.6	-20.9	172	69.8	0	0	0	0	112.6	E142 Q148	E142-S146 WeakPolarHBondContact O-CA 3.47Å; E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.9Å; E142-S146 PolarHBondContact O-OG 3.2Å; S146-Q148 PolarHBondContact O-N 2.8Å
147	T	47.3	Very low	43.7	Very low	107 Å²	107	106 Å²	106	66%	0.656	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-7.5	167.1	41.4	0	0	0	0	113.2	R143 R144 W145	R143-T147 WeakPolarHBondContact O-CG2 3.45Å; R143-T147 PolarHBondContact O-OG1 2.6Å; R144-T147 PolarHBondContact O-OG1 3.49Å; R144-T147 VanDerWaalsContact O-OG1 3.13Å; W145-T147 PolarHBondContact O-N 3.36Å
148	Q	46.1	Very low	43.4	Very low	153 Å²	153	109 Å²	109	72%	0.715	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-22.8	-176.4	-67.9	-167.2	-21.4	0	0	115.6	W145 S146	W145-Q148 CarbonylContact O-C 3.59Å; W145-Q148 WeakPolarHBondContact O-CA 3.26Å; W145-Q148 PolarHBondContact O-N 3.46Å; S146-Q148 PolarHBondContact O-N 2.8Å
149	T	43.5	Very low	43.4	Very low	90 Å²	90	111.4 Å²	111.4	55%	0.552	53%	0.531	S	S	*	.			trans	-154.4	126.1	-177.1	43.7	0	0	0	0	114.2	W145 V151	W145-T149 PolarHBondContact O-N 3.37Å; W145-T149 PolarHBondContact O-OG1 3.28Å; T149-V151 PolarHBondContact O-N 2.87Å
150	K	43	Very low	43.2	Very low	216 Å²	216	114.2 Å²	114.2	94%	0.939	54%	0.543	S	S	*	.			trans	-83.3	93	169.6	-68.7	-178.1	179.4	179.8	0	109.8
151	V	39.2	Very low	43.1	Very low	83 Å²	83	117.2 Å²	117.2	50%	0.503	56%	0.557	S	S	.	*			trans	-127	120.2	176.9	-170.9	0	0	0	0	111.5	T149 F153 Y154	T149-V151 PolarHBondContact O-N 2.87Å; V151-F153 HydrophobicContact CG1-CB 3.76Å; V151-F153 PolarHBondContact O-N 3.18Å; V151-Y154 PolarHBondContact O-N 3.38Å
152	P	42.6	Very low	42.6	Very low	112 Å²	112	117 Å²	117	73%	0.727	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-18.7	-179.1	23.3	-31.7	0	0	0	114.8	Y154 Y155	P152-Y154 PolarHBondContact O-N 2.86Å; P152-Y155 PolarHBondContact O-N 3.35Å; P152-Y155 VanDerWaalsContact O-N 3.15Å
153	F	39.3	Very low	42.5	Very low	154 Å²	154	117.3 Å²	117.3	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-54	-26.6	174.3	-168.1	-102.4	0	0	0	113.4	V151 A157	V151-F153 HydrophobicContact CG1-CB 3.76Å; V151-F153 PolarHBondContact O-N 3.18Å; F153-A157 WeakPolarHBondContact O-CB 3.07Å; F153-A157 PolarHBondContact O-N 2.87Å; F153-A157 VanDerWaalsContact O-N 3.08Å
154	Y	41.2	Very low	42.3	Very low	93 Å²	93	114.2 Å²	114.2	37%	0.365	57%	0.566	S	S	.	*	H	α-helix	trans	-72.3	-30.5	-178.2	-124.8	-92.1	0	0	0	113.6	W145 V151 P152 R158	W145-Y154 AromaticContact CE3-CE2 3.96Å; W145-Y154 HydrophobicContact CE3-CE2 3.96Å; W145-Y154 HydrophobicContact CZ3-CE2 4.28Å; V151-Y154 PolarHBondContact O-N 3.38Å; P152-Y154 PolarHBondContact O-N 2.86Å; Y154-R158 VanDerWaalsContact O-CB 3.28Å; Y154-R158 WeakPolarHBondContact O-CB 3Å; Y154-R158 PolarHBondContact O-N 3.5Å
155	Y	37.9	Very low	42.1	Very low	152 Å²	152	107.8 Å²	107.8	60%	0.596	55%	0.548	S	S	*	.	H	α-helix	trans	-72.3	-39.9	-179.9	-155.4	-93.9	0	0	0	110.8	P152 R158 I159	P152-Y155 PolarHBondContact O-N 3.35Å; P152-Y155 VanDerWaalsContact O-N 3.15Å; Y155-R158 PolarHBondContact O-N 2.76Å; Y155-I159 HydrophobicContact CD1-CD1 3.7Å; Y155-I159 HydrophobicContact CD1-CG1 4.44Å; Y155-I159 HydrophobicContact CE1-CD1 3.75Å; Y155-I159 WeakPolarHBondContact O-CG1 3.11Å; Y155-I159 PolarHBondContact O-N 3.11Å
156	E	38.1	Very low	41.9	Very low	142 Å²	142	102.7 Å²	102.7	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-68.7	-41.9	174.2	-65.2	-174.7	174.4	0	0	111.7	R158 I159 F160	E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 2.91Å; E156-I159 PolarHBondContact O-N 2.58Å; E156-F160 VanDerWaalsContact O-CB 3.25Å; E156-F160 WeakPolarHBondContact O-CB 3.24Å; E156-F160 PolarHBondContact O-N 3.44Å
157	A	39	Very low	41.9	Very low	35 Å²	35	104.4 Å²	104.4	29%	0.289	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-36.1	174.1	0	0	0	0	0	112.3	F153 F160 L161	F153-A157 WeakPolarHBondContact O-CB 3.07Å; F153-A157 PolarHBondContact O-N 2.87Å; F153-A157 VanDerWaalsContact O-N 3.08Å; A157-F160 PolarHBondContact O-N 2.84Å; A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 WeakPolarHBondContact O-CD1 3.22Å; A157-L161 WeakPolarHBondContact O-CG 3.41Å; A157-L161 PolarHBondContact O-N 3.22Å
158	R	43.3	Very low	41.7	Very low	114 Å²	114	102.3 Å²	102.3	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-70.4	-42.9	176.5	-173.5	175.7	177.1	163.8	1.4	112.2	E142 Y154 Y155 E156 F160 L161 C162	E142-R158 IonicContact OE1-NH1 2.7Å; E142-R158 PolarHBondContact OE1-NH1 3.39Å; E142-R158 IonicContact OE2-CZ 2.89Å; E142-R158 IonicContact OE2-NH1 3.09Å; E142-R158 PolarHBondContact OE2-NH1 3.33Å; E142-R158 VanDerWaalsContact OE2-NH1 3.17Å; Y154-R158 VanDerWaalsContact O-CB 3.28Å; Y154-R158 WeakPolarHBondContact O-CB 3Å; Y154-R158 PolarHBondContact O-N 3.5Å; Y155-R158 PolarHBondContact O-N 2.76Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 2.91Å; R158-F160 VanDerWaalsContact C-N 3.32Å; R158-L161 PolarHBondContact O-N 2.87Å; R158-C162 WeakPolarHBondContact O-CB 3.46Å; R158-C162 PolarHBondContact O-N 3.5Å; R158-C162 PolarHBondContact O-SG 3.46Å; R158-C162 VanDerWaalsContact O-SG 3.36Å
159	I	44.2	Very low	41.5	Very low	101 Å²	101	97 Å²	97	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-42.9	172.5	-69	168.4	0	0	0	110.2	Y155 E156 C162 A163	Y155-I159 HydrophobicContact CD1-CD1 3.7Å; Y155-I159 HydrophobicContact CD1-CG1 4.44Å; Y155-I159 HydrophobicContact CE1-CD1 3.75Å; Y155-I159 WeakPolarHBondContact O-CG1 3.11Å; Y155-I159 PolarHBondContact O-N 3.11Å; E156-I159 PolarHBondContact O-N 2.58Å; I159-C162 PolarHBondContact O-N 2.83Å; I159-A163 VanDerWaalsContact O-CB 3.32Å; I159-A163 WeakPolarHBondContact O-CB 3.31Å; I159-A163 PolarHBondContact O-N 2.82Å
160	F	39.6	Very low	41.6	Very low	133 Å²	133	97.6 Å²	97.6	58%	0.583	50%	0.503	S	S	*	.	H	α-helix	trans	-62.1	-46.2	176.2	-177.6	-100.3	0	0	0	111.6	E156 A157 R158 C162 A163 L164	E156-F160 VanDerWaalsContact O-CB 3.25Å; E156-F160 WeakPolarHBondContact O-CB 3.24Å; E156-F160 PolarHBondContact O-N 3.44Å; A157-F160 PolarHBondContact O-N 2.84Å; R158-F160 VanDerWaalsContact C-N 3.32Å; F160-C162 PolarHBondContact O-N 3.35Å; F160-A163 PolarHBondContact O-N 2.88Å; F160-L164 HydrophobicContact CE1-CD1 3.84Å; F160-L164 HydrophobicContact CE2-CD1 4.36Å; F160-L164 HydrophobicContact CZ-CD1 3.7Å; F160-L164 VanDerWaalsContact O-CB 3.27Å; F160-L164 WeakPolarHBondContact O-CB 3.29Å; F160-L164 PolarHBondContact O-N 3.3Å
161	L	43.9	Very low	41.6	Very low	101 Å²	101	92 Å²	92	53%	0.529	48%	0.483	S	S	.	.	H	α-helix	trans	-64.5	-38.1	176.3	-76.5	166	0	0	0	112.4	A157 R158 S165	A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 WeakPolarHBondContact O-CD1 3.22Å; A157-L161 WeakPolarHBondContact O-CG 3.41Å; A157-L161 PolarHBondContact O-N 3.22Å; R158-L161 PolarHBondContact O-N 2.87Å; L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.37Å
162	C	41	Very low	41.8	Very low	70 Å²	70	91.2 Å²	91.2	47%	0.473	48%	0.475	S	S	.	.	H	α-helix	trans	-68.6	-38.8	173.8	-74.4	0	0	0	0	112.2	R158 I159 F160 S165 G166	R158-C162 WeakPolarHBondContact O-CB 3.46Å; R158-C162 PolarHBondContact O-N 3.5Å; R158-C162 PolarHBondContact O-SG 3.46Å; R158-C162 VanDerWaalsContact O-SG 3.36Å; I159-C162 PolarHBondContact O-N 2.83Å; F160-C162 PolarHBondContact O-N 3.35Å; C162-S165 WeakPolarHBondContact O-CB 3.25Å; C162-S165 PolarHBondContact O-N 3.37Å; C162-G166 PolarHBondContact O-N 2.81Å
163	A	41.7	Very low	42	Very low	55 Å²	55	90.6 Å²	90.6	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-41	174.3	0	0	0	0	0	111.5	I159 F160 S165 G166 M167	I159-A163 VanDerWaalsContact O-CB 3.32Å; I159-A163 WeakPolarHBondContact O-CB 3.31Å; I159-A163 PolarHBondContact O-N 2.82Å; F160-A163 PolarHBondContact O-N 2.88Å; A163-S165 VanDerWaalsContact C-N 3.31Å; A163-G166 PolarHBondContact O-N 2.57Å; A163-M167 WeakPolarHBondContact O-CB 3.34Å; A163-M167 VanDerWaalsContact O-CG 3.3Å; A163-M167 WeakPolarHBondContact O-CG 3.36Å; A163-M167 PolarHBondContact O-N 2.93Å
164	L	43.1	Very low	42.5	Very low	87 Å²	87	87.8 Å²	87.8	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-64.8	-38.8	174.6	-148	101.6	0	0	0	110.8	F160 T168	F160-L164 HydrophobicContact CE1-CD1 3.84Å; F160-L164 HydrophobicContact CE2-CD1 4.36Å; F160-L164 HydrophobicContact CZ-CD1 3.7Å; F160-L164 VanDerWaalsContact O-CB 3.27Å; F160-L164 WeakPolarHBondContact O-CB 3.29Å; F160-L164 PolarHBondContact O-N 3.3Å; L164-T168 WeakPolarHBondContact O-CB 2.98Å; L164-T168 WeakPolarHBondContact O-CG2 3.43Å; L164-T168 PolarHBondContact O-N 2.84Å; L164-T168 PolarHBondContact O-OG1 3.48Å
165	S	43.2	Very low	42.6	Very low	40 Å²	40	88.1 Å²	88.1	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-59.8	-57.8	169.9	-175.2	0	0	0	0	109.9	L161 C162 A163 M167 T168 H169	L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.37Å; C162-S165 WeakPolarHBondContact O-CB 3.25Å; C162-S165 PolarHBondContact O-N 3.37Å; A163-S165 VanDerWaalsContact C-N 3.31Å; S165-M167 VanDerWaalsContact C-N 3.29Å; S165-M167 PolarHBondContact O-N 2.99Å; S165-T168 VanDerWaalsContact CA-OG1 3.3Å; S165-T168 WeakPolarHBondContact CA-OG1 3.17Å; S165-T168 PolarHBondContact O-N 2.89Å; S165-T168 VanDerWaalsContact O-N 3.08Å; S165-T168 PolarHBondContact O-OG1 2.97Å; S165-H169 VanDerWaalsContact C-ND1 3.3Å; S165-H169 WeakPolarHBondContact O-CB 3.4Å; S165-H169 PolarHBondContact O-N 3.37Å; S165-H169 PolarHBondContact O-ND1 3.3Å; S165-H169 PolarHBondContact OG-CE1 2.93Å; S165-H169 PolarHBondContact OG-ND1 3.47Å
166	G	40	Very low	43	Very low	40 Å²	40	81.8 Å²	81.8	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-55	-41	178.7	0	0	0	0	0	113.8	C162 A163 H169 L170	C162-G166 PolarHBondContact O-N 2.81Å; A163-G166 PolarHBondContact O-N 2.57Å; G166-H169 WeakPolarHBondContact O-CB 3.24Å; G166-H169 PolarHBondContact O-N 3.24Å; G166-L170 WeakPolarHBondContact O-CB 3.38Å; G166-L170 PolarHBondContact O-N 3.47Å
167	M	42.6	Very low	43.3	Very low	115 Å²	115	80.1 Å²	80.1	57%	0.567	43%	0.433	S	S	*	.	H	α-helix	trans	-68.7	-41.9	175.8	-73	-65.2	-68.1	0	0	112.7	A163 S165 H169 L170 I171	A163-M167 WeakPolarHBondContact O-CB 3.34Å; A163-M167 VanDerWaalsContact O-CG 3.3Å; A163-M167 WeakPolarHBondContact O-CG 3.36Å; A163-M167 PolarHBondContact O-N 2.93Å; S165-M167 VanDerWaalsContact C-N 3.29Å; S165-M167 PolarHBondContact O-N 2.99Å; M167-H169 VanDerWaalsContact C-N 3.3Å; M167-H169 PolarHBondContact O-N 2.91Å; M167-L170 PolarHBondContact O-N 3.49Å; M167-I171 WeakPolarHBondContact O-CB 3.41Å; M167-I171 VanDerWaalsContact O-CG1 3.26Å; M167-I171 WeakPolarHBondContact O-CG1 3.33Å; M167-I171 PolarHBondContact O-N 2.81Å
168	T	42.3	Very low	43.8	Very low	62 Å²	62	81.2 Å²	81.2	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-36.1	174.2	43.2	0	0	0	0	111.5	L164 S165 I171 L172	L164-T168 WeakPolarHBondContact O-CB 2.98Å; L164-T168 WeakPolarHBondContact O-CG2 3.43Å; L164-T168 PolarHBondContact O-N 2.84Å; L164-T168 PolarHBondContact O-OG1 3.48Å; S165-T168 VanDerWaalsContact CA-OG1 3.3Å; S165-T168 WeakPolarHBondContact CA-OG1 3.17Å; S165-T168 PolarHBondContact O-N 2.89Å; S165-T168 VanDerWaalsContact O-N 3.08Å; S165-T168 PolarHBondContact O-OG1 2.97Å; T168-I171 PolarHBondContact O-N 2.93Å; T168-L172 VanDerWaalsContact O-CB 3.27Å; T168-L172 WeakPolarHBondContact O-CB 3.31Å; T168-L172 VanDerWaalsContact O-CG 3.24Å; T168-L172 WeakPolarHBondContact O-CG 3.32Å; T168-L172 PolarHBondContact O-N 2.67Å
169	H	43.7	Very low	43.9	Very low	41 Å²	41	78.9 Å²	78.9	19%	0.19	43%	0.431	C	S	.	.	H	α-helix	trans	-62.4	-44.6	172.5	-75.9	76	0	0	0	111.8	Y128 S165 G166 M167 L172 L173	Y128-H169 AromaticContact CD2-CD2 3.37Å; Y128-H169 WeakPolarHBondContact CD2-CD2 3.35Å; Y128-H169 AromaticContact CD2-NE2 3.63Å; Y128-H169 AromaticContact CE2-CD2 3.32Å; Y128-H169 WeakPolarHBondContact CE2-CD2 3.48Å; Y128-H169 AromaticContact CE2-NE2 3.64Å; S165-H169 VanDerWaalsContact C-ND1 3.3Å; S165-H169 WeakPolarHBondContact O-CB 3.4Å; S165-H169 PolarHBondContact O-N 3.37Å; S165-H169 PolarHBondContact O-ND1 3.3Å; S165-H169 PolarHBondContact OG-CE1 2.93Å; S165-H169 PolarHBondContact OG-ND1 3.47Å; G166-H169 WeakPolarHBondContact O-CB 3.24Å; G166-H169 PolarHBondContact O-N 3.24Å; M167-H169 VanDerWaalsContact C-N 3.3Å; M167-H169 PolarHBondContact O-N 2.91Å; H169-L172 PolarHBondContact O-N 2.96Å; H169-L173 VanDerWaalsContact O-CB 3.26Å; H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 PolarHBondContact O-N 2.77Å
170	L	44.3	Very low	44.2	Very low	103 Å²	103	75.4 Å²	75.4	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-66.3	-40.3	179.1	-149.9	140.9	0	0	0	111.5	G166 M167 L174	G166-L170 WeakPolarHBondContact O-CB 3.38Å; G166-L170 PolarHBondContact O-N 3.47Å; M167-L170 PolarHBondContact O-N 3.49Å; L170-L174 HydrophobicContact CD2-CD1 3.76Å; L170-L174 WeakPolarHBondContact O-CB 3.32Å; L170-L174 WeakPolarHBondContact O-CD1 3.36Å; L170-L174 PolarHBondContact O-N 3.42Å
171	I	44.1	Very low	44.7	Very low	99 Å²	99	72.7 Å²	72.7	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-45.8	174.9	-67.8	166.2	0	0	0	111.2	M167 T168 L174 L175	M167-I171 WeakPolarHBondContact O-CB 3.41Å; M167-I171 VanDerWaalsContact O-CG1 3.26Å; M167-I171 WeakPolarHBondContact O-CG1 3.33Å; M167-I171 PolarHBondContact O-N 2.81Å; T168-I171 PolarHBondContact O-N 2.93Å; I171-L174 PolarHBondContact O-N 3.16Å; I171-L175 WeakPolarHBondContact O-CB 3.36Å; I171-L175 PolarHBondContact O-N 2.89Å
172	L	42.9	Very low	44.9	Very low	66 Å²	66	75.9 Å²	75.9	35%	0.346	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-41.7	178.3	-76.9	168.4	0	0	0	111	T168 H169 L175 S176	T168-L172 VanDerWaalsContact O-CB 3.27Å; T168-L172 WeakPolarHBondContact O-CB 3.31Å; T168-L172 VanDerWaalsContact O-CG 3.24Å; T168-L172 WeakPolarHBondContact O-CG 3.32Å; T168-L172 PolarHBondContact O-N 2.67Å; H169-L172 PolarHBondContact O-N 2.96Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-S176 WeakPolarHBondContact O-CB 3.35Å; L172-S176 PolarHBondContact O-N 2.85Å; L172-S176 PolarHBondContact O-OG 3.44Å
173	L	47.5	Very low	45.2	Very low	100 Å²	100	74.1 Å²	74.1	52%	0.524	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-45	175.9	-165.6	107	0	0	0	111.7	H169 L175 S176 F177	H169-L173 VanDerWaalsContact O-CB 3.26Å; H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 PolarHBondContact O-N 2.77Å; L173-L175 PolarHBondContact O-N 3.16Å; L173-S176 WeakPolarHBondContact O-CB 3.5Å; L173-S176 PolarHBondContact O-N 3.29Å; L173-F177 VanDerWaalsContact O-CB 3.31Å; L173-F177 WeakPolarHBondContact O-CB 3.35Å; L173-F177 PolarHBondContact O-N 3.15Å
174	L	48.2	Very low	45.5	Very low	94 Å²	94	72.5 Å²	72.5	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-44	173.1	-88.9	157.3	0	0	0	111.7	L170 I171 F177 V178	L170-L174 HydrophobicContact CD2-CD1 3.76Å; L170-L174 WeakPolarHBondContact O-CB 3.32Å; L170-L174 WeakPolarHBondContact O-CD1 3.36Å; L170-L174 PolarHBondContact O-N 3.42Å; I171-L174 PolarHBondContact O-N 3.16Å; L174-F177 PolarHBondContact O-N 3.03Å; L174-V178 WeakPolarHBondContact O-CB 3.22Å; L174-V178 VanDerWaalsContact O-CG2 3.22Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 3.39Å
175	L	44.5	Very low	45.5	Very low	100 Å²	100	73.7 Å²	73.7	52%	0.524	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-43	178.5	-155.5	91.2	0	0	0	111	I171 L172 L173 V178 I179	I171-L175 WeakPolarHBondContact O-CB 3.36Å; I171-L175 PolarHBondContact O-N 2.89Å; L172-L175 PolarHBondContact O-N 3.34Å; L173-L175 PolarHBondContact O-N 3.16Å; L175-V178 PolarHBondContact O-N 3.23Å; L175-I179 HydrophobicContact CD2-CD1 4Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 WeakPolarHBondContact O-CG1 3.04Å; L175-I179 PolarHBondContact O-N 3.32Å
176	S	46	Very low	45.4	Very low	19 Å²	19	79.2 Å²	79.2	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-59.2	-47.5	175.2	-51.9	0	0	0	0	111.2	L124 L172 L173 V178 I179 F180	L124-S176 WeakPolarHBondContact CD1-OG 3.19Å; L124-S176 WeakPolarHBondContact CD2-OG 3.48Å; L172-S176 WeakPolarHBondContact O-CB 3.35Å; L172-S176 PolarHBondContact O-N 2.85Å; L172-S176 PolarHBondContact O-OG 3.44Å; L173-S176 WeakPolarHBondContact O-CB 3.5Å; L173-S176 PolarHBondContact O-N 3.29Å; S176-V178 VanDerWaalsContact C-N 3.35Å; S176-V178 PolarHBondContact O-N 2.88Å; S176-I179 PolarHBondContact O-N 2.9Å; S176-F180 VanDerWaalsContact O-CB 3.25Å; S176-F180 WeakPolarHBondContact O-CB 3.39Å; S176-F180 PolarHBondContact O-N 3.25Å
177	F	44.9	Very low	45.6	Very low	107 Å²	107	81.3 Å²	81.3	47%	0.469	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-42.3	178	-175.7	-105.7	0	0	0	111.3	L173 L174 F180 L181	L173-F177 VanDerWaalsContact O-CB 3.31Å; L173-F177 WeakPolarHBondContact O-CB 3.35Å; L173-F177 PolarHBondContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 3.03Å; F177-F180 PolarHBondContact O-N 2.88Å; F177-L181 HydrophobicContact CD1-CD1 3.71Å; F177-L181 HydrophobicContact CD1-CG 4.43Å; F177-L181 HydrophobicContact CE1-CD1 3.28Å; F177-L181 HydrophobicContact CE1-CG 4.17Å; F177-L181 HydrophobicContact CE2-CD1 4.4Å; F177-L181 HydrophobicContact CE2-CG 4.5Å; F177-L181 HydrophobicContact CG-CD1 4.44Å; F177-L181 HydrophobicContact CZ-CD1 3.67Å; F177-L181 HydrophobicContact CZ-CG 4.2Å; F177-L181 WeakPolarHBondContact O-CB 3.28Å; F177-L181 WeakPolarHBondContact O-CG 3.24Å; F177-L181 PolarHBondContact O-N 3.49Å
178	V	48.9	Very low	45.6	Very low	58 Å²	58	79.4 Å²	79.4	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-41.1	175.3	170.4	0	0	0	0	111.9	L174 L175 S176 R182	L174-V178 WeakPolarHBondContact O-CB 3.22Å; L174-V178 VanDerWaalsContact O-CG2 3.22Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 3.39Å; L175-V178 PolarHBondContact O-N 3.23Å; S176-V178 VanDerWaalsContact C-N 3.35Å; S176-V178 PolarHBondContact O-N 2.88Å; V178-R182 HydrophobicContact CG1-CG 4.48Å; V178-R182 VanDerWaalsContact O-CB 3.29Å; V178-R182 WeakPolarHBondContact O-CB 3.38Å; V178-R182 VanDerWaalsContact O-CG 3.24Å; V178-R182 WeakPolarHBondContact O-CG 3.46Å; V178-R182 PolarHBondContact O-N 2.84Å
179	I	46.2	Very low	45.6	Very low	65 Å²	65	80.5 Å²	80.5	33%	0.333	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-46.5	176.7	-68	163.9	0	0	0	109.7	E120 L175 S176 R182 L183	E120-I179 WeakPolarHBondContact OE1-CG2 3.17Å; L175-I179 HydrophobicContact CD2-CD1 4Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 WeakPolarHBondContact O-CG1 3.04Å; L175-I179 PolarHBondContact O-N 3.32Å; S176-I179 PolarHBondContact O-N 2.9Å; I179-R182 CarbonylContact O-C 3.59Å; I179-R182 PolarHBondContact O-N 3.44Å; I179-L183 WeakPolarHBondContact O-CB 3.36Å; I179-L183 PolarHBondContact O-N 3.32Å
180	F	48.8	Very low	45.2	Very low	28 Å²	28	88.5 Å²	88.5	12%	0.123	44%	0.438	C	S	.	.	H	α-helix	trans	-61.7	-46	177.9	-173.9	-93	0	0	0	112	S176 F177 L183 A184 L408 V411	S176-F180 VanDerWaalsContact O-CB 3.25Å; S176-F180 WeakPolarHBondContact O-CB 3.39Å; S176-F180 PolarHBondContact O-N 3.25Å; F177-F180 PolarHBondContact O-N 2.88Å; F180-L183 PolarHBondContact O-N 2.92Å; F180-A184 WeakPolarHBondContact O-CB 3.39Å; F180-A184 PolarHBondContact O-N 2.76Å; F180-L408 HydrophobicContact CE2-CD2 4.22Å; F180-L408 HydrophobicContact CZ-CD2 4.24Å; F180-V411 HydrophobicContact CE1-CB 4.4Å; F180-V411 HydrophobicContact CE1-CG1 3.93Å; F180-V411 HydrophobicContact CE1-CG2 3.99Å; F180-V411 HydrophobicContact CZ-CB 4.44Å; F180-V411 HydrophobicContact CZ-CG1 3.88Å; F180-V411 HydrophobicContact CZ-CG2 4.49Å
181	L	50.3	Low	44.6	Very low	76 Å²	76	88.6 Å²	88.6	40%	0.398	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.2	-79.6	176.2	0	0	0	111.5	F177 L183 A184 D185	F177-L181 HydrophobicContact CD1-CD1 3.71Å; F177-L181 HydrophobicContact CD1-CG 4.43Å; F177-L181 HydrophobicContact CE1-CD1 3.28Å; F177-L181 HydrophobicContact CE1-CG 4.17Å; F177-L181 HydrophobicContact CE2-CD1 4.4Å; F177-L181 HydrophobicContact CE2-CG 4.5Å; F177-L181 HydrophobicContact CG-CD1 4.44Å; F177-L181 HydrophobicContact CZ-CD1 3.67Å; F177-L181 HydrophobicContact CZ-CG 4.2Å; F177-L181 WeakPolarHBondContact O-CB 3.28Å; F177-L181 WeakPolarHBondContact O-CG 3.24Å; F177-L181 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 3.04Å; L181-A184 PolarHBondContact O-N 3.36Å; L181-D185 WeakPolarHBondContact O-CB 3.41Å; L181-D185 PolarHBondContact O-N 3.23Å
182	R	47.8	Very low	43.8	Very low	168 Å²	168	88.6 Å²	88.6	63%	0.634	46%	0.462	S	S	*	.	H	α-helix	trans	-65.8	-32.8	176.7	-75.4	179	177.3	-174.5	1.2	112.6	V178 I179 R186	V178-R182 HydrophobicContact CG1-CG 4.48Å; V178-R182 VanDerWaalsContact O-CB 3.29Å; V178-R182 WeakPolarHBondContact O-CB 3.38Å; V178-R182 VanDerWaalsContact O-CG 3.24Å; V178-R182 WeakPolarHBondContact O-CG 3.46Å; V178-R182 PolarHBondContact O-N 2.84Å; I179-R182 CarbonylContact O-C 3.59Å; I179-R182 PolarHBondContact O-N 3.44Å; R182-R186 WeakPolarHBondContact O-CB 3.32Å; R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 3.37Å; R182-R186 VanDerWaalsContact O-N 3.08Å
183	L	47.2	Very low	43.2	Very low	33 Å²	33	90.4 Å²	90.4	17%	0.173	49%	0.486	C	S	.	.	H	α-helix	trans	-69.3	-46.7	175.3	-152.6	89.9	0	0	0	109.6	I117 I179 F180 L181 R186 M187	I117-L183 HydrophobicContact CG1-CD2 4.33Å; I179-L183 WeakPolarHBondContact O-CB 3.36Å; I179-L183 PolarHBondContact O-N 3.32Å; F180-L183 PolarHBondContact O-N 2.92Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 3.04Å; L183-R186 PolarHBondContact O-N 3.36Å; L183-M187 VanDerWaalsContact O-CB 3.27Å; L183-M187 WeakPolarHBondContact O-CB 3.18Å; L183-M187 WeakPolarHBondContact O-CG 3.34Å; L183-M187 PolarHBondContact O-N 3.25Å
184	A	48.8	Very low	42.2	Very low	21 Å²	21	96.7 Å²	96.7	17%	0.174	50%	0.503	C	S	.	.	H	α-helix	trans	-61	-44.1	176.8	0	0	0	0	0	112.3	F180 L181 M187 T188	F180-A184 WeakPolarHBondContact O-CB 3.39Å; F180-A184 PolarHBondContact O-N 2.76Å; L181-A184 PolarHBondContact O-N 3.36Å; A184-M187 PolarHBondContact O-N 3.35Å; A184-T188 WeakPolarHBondContact O-CG2 3.39Å; A184-T188 PolarHBondContact O-N 2.91Å; A184-T188 PolarHBondContact O-OG1 3.38Å
185	D	42.7	Very low	41.2	Very low	113 Å²	113	103.7 Å²	103.7	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-68.1	-34.4	176.9	-84.9	-11.3	0	0	0	113	L181 T188	L181-D185 WeakPolarHBondContact O-CB 3.41Å; L181-D185 PolarHBondContact O-N 3.23Å; D185-T188 PolarHBondContact O-OG1 2.92Å
186	R	42.2	Very low	40.4	Very low	156 Å²	156	108.2 Å²	108.2	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-75.9	-32.7	177.5	-75.9	-179.8	179.2	-167.2	-0.2	112.4	R182 L183 T188 S189	R182-R186 WeakPolarHBondContact O-CB 3.32Å; R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 3.37Å; R182-R186 VanDerWaalsContact O-N 3.08Å; L183-R186 PolarHBondContact O-N 3.36Å; R186-T188 VanDerWaalsContact C-N 3.26Å; R186-T188 PolarHBondContact O-N 2.9Å; R186-S189 PolarHBondContact O-N 2.88Å; R186-S189 PolarHBondContact O-OG 2.96Å
187	M	44.4	Very low	39.5	Very low	84 Å²	84	112.1 Å²	112.1	41%	0.414	56%	0.559	S	S	.	*	H	α-helix	trans	-69.7	-23.8	179.2	-72.7	-86.8	-68.4	0	0	113.2	I113 L183 A184	I113-M187 HydrophobicContact CB-CE 4.03Å; I113-M187 HydrophobicContact CD1-CE 3.22Å; I113-M187 HydrophobicContact CD1-SD 4.1Å; I113-M187 HydrophobicContact CG1-CE 3.33Å; I113-M187 HydrophobicContact CG1-SD 4.02Å; I113-M187 HydrophobicContact CG2-CE 3.49Å; I113-M187 VanDerWaalsContact CG2-CE 3.49Å; L183-M187 VanDerWaalsContact O-CB 3.27Å; L183-M187 WeakPolarHBondContact O-CB 3.18Å; L183-M187 WeakPolarHBondContact O-CG 3.34Å; L183-M187 PolarHBondContact O-N 3.25Å; A184-M187 PolarHBondContact O-N 3.35Å
188	T	42.8	Very low	38.9	Very low	74 Å²	74	110.9 Å²	110.9	45%	0.454	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-11.3	175.9	50.6	0	0	0	0	113.9	A184 D185 R186 Y190 Y415	A184-T188 WeakPolarHBondContact O-CG2 3.39Å; A184-T188 PolarHBondContact O-N 2.91Å; A184-T188 PolarHBondContact O-OG1 3.38Å; D185-T188 PolarHBondContact O-OG1 2.92Å; R186-T188 VanDerWaalsContact C-N 3.26Å; R186-T188 PolarHBondContact O-N 2.9Å; T188-Y190 VanDerWaalsContact C-N 3.34Å; T188-Y415 HydrophobicContact CG2-CE1 3.51Å; T188-Y415 WeakPolarHBondContact CG2-OH 3.47Å
189	S	41.1	Very low	38	Very low	86 Å²	86	118.4 Å²	118.4	60%	0.601	59%	0.59	S	S	*	*	S	Bend	trans	-77.3	-13.9	177.5	70.4	0	0	0	0	114.5	R186 S191	R186-S189 PolarHBondContact O-N 2.88Å; R186-S189 PolarHBondContact O-OG 2.96Å; S189-S191 PolarHBondContact O-N 3.48Å
190	Y	36.1	Very low	37.1	Very low	209 Å²	209	120.6 Å²	120.6	82%	0.82	61%	0.606	S	S	*	*			trans	-86.3	85.6	172.8	-95.2	-87.8	0	0	0	111	T188	T188-Y190 VanDerWaalsContact C-N 3.34Å
191	S	30.7	Very low	36.1	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	64%	0.64	S	S	*	*			trans	-68.4	152.4	171	84	0	0	0	0	112.8	S189	S189-S191 PolarHBondContact O-N 3.48Å
192	A	28.8	Very low	35.1	Very low	99 Å²	99	131.2 Å²	131.2	82%	0.818	66%	0.66	S	S	*	*			trans	79.7	108.1	156.3	0	0	0	0	0	120.1
193	A	30	Very low	34.3	Very low	104 Å²	104	129.9 Å²	129.9	86%	0.86	66%	0.661	S	S	*	*				-173.5	112.1	114.5	0	0	0	0	0	111.2
194	R	25.4	Very low	33.5	Very low	232 Å²	232	138.2 Å²	138.2	88%	0.875	70%	0.695	S	S	*	*			trans	-78.6	147.5	169.7	-72.9	171.8	168.5	170.5	-3.8	110.6
195	W	28.7	Very low	32.8	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.913	72%	0.724	S	S	*	*			trans	-165.5	105.3	139.7	-74.6	95.3	0	0	0	107.4
196	F	27	Very low	32.3	Very low	196 Å²	196	147.8 Å²	147.8	86%	0.86	72%	0.724	S	S	*	*				91.3	112.9	93.8	-107.4	-82.8	0	0	0	115.7
197	D	26.7	Very low	32.1	Very low	101 Å²	101	144.8 Å²	144.8	54%	0.54	72%	0.723	S	S	.	*			trans	-77.3	-171.3	167	-142.1	5.5	0	0	0	108.6
198	P	32.6	Very low	31.6	Very low	81 Å²	81	144.9 Å²	144.9	53%	0.526	73%	0.732	S	S	.	*			cis	-147.2	143.4	1.5	36.6	-14.6	0	0	0	116.5
199	F	29	Very low	31.3	Very low	216 Å²	216	146 Å²	146	95%	0.947	73%	0.734	S	S	*	*			trans	-149.3	89.5	147.4	-79.4	-67	0	0	0	111.8
200	V	27.3	Very low	31.1	Very low	111 Å²	111	144.2 Å²	144.2	67%	0.673	72%	0.722	S	S	*	*			trans	-85.4	120.8	162.5	171	0	0	0	0	107.7
201	K	28.3	Very low	31.2	Very low	193 Å²	193	138.4 Å²	138.4	84%	0.839	71%	0.707	S	S	*	*			trans	178.7	147	146.1	-98.3	157.7	-172.9	-174.4	0	110.4
202	V	28.6	Very low	31.5	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	70%	0.698	S	S	*	*			trans	85	96.7	167.1	-154.9	0	0	0	0	116.8
203	Q	31.6	Very low	31.7	Very low	140 Å²	140	138.6 Å²	138.6	65%	0.654	69%	0.686	S	S	*	*				-179.2	71.1	119.4	-102	172.8	-22.5	0	0	111.1	F205	Q203-F205 PolarHBondContact O-N 3.21Å
204	K	30.3	Very low	32.1	Very low	208 Å²	208	136.2 Å²	136.2	90%	0.904	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	29.5	173.3	-110.9	-173.1	-179.6	-173.5	0	113.8
205	F	34.7	Very low	32.9	Very low	175 Å²	175	128.9 Å²	128.9	77%	0.768	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-10.6	-175.5	-150.8	-99.9	0	0	0	113.9	Q203	Q203-F205 PolarHBondContact O-N 3.21Å
206	W	32	Very low	33.3	Very low	160 Å²	160	121 Å²	121	61%	0.606	62%	0.62	S	S	*	*	S	Bend	trans	-104.2	-11.5	-175	-76	80.7	0	0	0	114.4	S208 I209	W206-S208 PolarHBondContact O-N 3.12Å; W206-I209 PolarHBondContact O-N 3.11Å
207	T	37.4	Very low	33.9	Very low	92 Å²	92	113.6 Å²	113.6	56%	0.564	60%	0.599	S	S	*	*	H	α-helix	trans	-64	-20	175.6	35.5	0	0	0	0	113.8	V211	T207-V211 WeakPolarHBondContact O-CG2 3.27Å; T207-V211 PolarHBondContact O-N 3.26Å
208	S	34.5	Very low	34.7	Very low	86 Å²	86	113.2 Å²	113.2	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-80.3	-23.3	-177.2	-44.2	0	0	0	0	113.4	W206	W206-S208 PolarHBondContact O-N 3.12Å
209	I	35.9	Very low	35.1	Very low	98 Å²	98	112.4 Å²	112.4	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-92.6	-29.2	179	-61.8	171.5	0	0	0	110.8	W206 Q213	W206-I209 PolarHBondContact O-N 3.11Å; I209-Q213 WeakPolarHBondContact O-CG 3.38Å; I209-Q213 PolarHBondContact O-N 3.15Å
210	S	37.2	Very low	35.6	Very low	49 Å²	49	109.1 Å²	109.1	34%	0.343	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-41.8	172.5	145.7	0	0	0	0	112.4	V212 Q213 T214	S210-V212 PolarHBondContact O-N 3.48Å; S210-Q213 PolarHBondContact O-N 2.95Å; S210-Q213 VanDerWaalsContact O-N 3.16Å; S210-T214 PolarHBondContact O-N 3.18Å; S210-T214 PolarHBondContact O-OG1 2.79Å
211	V	38.7	Very low	36.4	Very low	86 Å²	86	106.3 Å²	106.3	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-41.8	179.8	173	0	0	0	0	111.1	T207 Q213 T214 V215	T207-V211 WeakPolarHBondContact O-CG2 3.27Å; T207-V211 PolarHBondContact O-N 3.26Å; V211-Q213 VanDerWaalsContact C-N 3.28Å; V211-Q213 PolarHBondContact O-N 3.04Å; V211-T214 PolarHBondContact O-N 3.06Å; V211-V215 HydrophobicContact CG1-CG2 4.16Å; V211-V215 VanDerWaalsContact O-CB 3.28Å; V211-V215 WeakPolarHBondContact O-CB 3.5Å; V211-V215 WeakPolarHBondContact O-CG2 3.48Å; V211-V215 PolarHBondContact O-N 2.87Å
212	V	36	Very low	37.1	Very low	89 Å²	89	101.6 Å²	101.6	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-63.1	-36.9	176.4	179.9	0	0	0	0	110.9	S210 V216	S210-V212 PolarHBondContact O-N 3.48Å; V212-V216 HydrophobicContact CG1-CG2 4.37Å; V212-V216 WeakPolarHBondContact O-CB 3.33Å; V212-V216 WeakPolarHBondContact O-CG2 3.39Å; V212-V216 PolarHBondContact O-N 3.2Å
213	Q	33.6	Very low	37.6	Very low	118 Å²	118	99.5 Å²	99.5	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-73.8	-37.6	178.5	-72.5	179.8	-30.5	0	0	113.3	I209 S210 V211 V216 G217	I209-Q213 WeakPolarHBondContact O-CG 3.38Å; I209-Q213 PolarHBondContact O-N 3.15Å; S210-Q213 PolarHBondContact O-N 2.95Å; S210-Q213 VanDerWaalsContact O-N 3.16Å; V211-Q213 VanDerWaalsContact C-N 3.28Å; V211-Q213 PolarHBondContact O-N 3.04Å; Q213-V216 PolarHBondContact O-N 3.26Å; Q213-G217 PolarHBondContact O-N 3.39Å
214	T	38.1	Very low	38.2	Very low	54 Å²	54	95 Å²	95	33%	0.331	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-39.7	172.1	-41.5	0	0	0	0	110.7	S210 V211 G217 I218	S210-T214 PolarHBondContact O-N 3.18Å; S210-T214 PolarHBondContact O-OG1 2.79Å; V211-T214 PolarHBondContact O-N 3.06Å; T214-G217 PolarHBondContact O-N 3.46Å; T214-I218 HydrophobicContact CG2-CD1 3.81Å; T214-I218 HydrophobicContact CG2-CG1 4.4Å; T214-I218 VanDerWaalsContact O-CB 3.27Å; T214-I218 WeakPolarHBondContact O-CB 3.2Å; T214-I218 WeakPolarHBondContact O-CD1 3.47Å; T214-I218 WeakPolarHBondContact O-CG1 3.35Å; T214-I218 PolarHBondContact O-N 3.06Å
215	V	42.2	Very low	38.7	Very low	78 Å²	78	87.8 Å²	87.8	47%	0.473	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-47.7	174.2	170.5	0	0	0	0	110	V211 G217 I218 T219	V211-V215 HydrophobicContact CG1-CG2 4.16Å; V211-V215 VanDerWaalsContact O-CB 3.28Å; V211-V215 WeakPolarHBondContact O-CB 3.5Å; V211-V215 WeakPolarHBondContact O-CG2 3.48Å; V211-V215 PolarHBondContact O-N 2.87Å; V215-G217 PolarHBondContact O-N 3.41Å; V215-I218 PolarHBondContact O-N 2.83Å; V215-T219 VanDerWaalsContact O-CB 3.26Å; V215-T219 WeakPolarHBondContact O-CB 3.28Å; V215-T219 PolarHBondContact O-N 3.36Å; V215-T219 PolarHBondContact O-OG1 3.46Å
216	V	38.9	Very low	39	Very low	76 Å²	76	84.3 Å²	84.3	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-41.2	177.5	171.6	0	0	0	0	111.8	V212 Q213 T219 Y220	V212-V216 HydrophobicContact CG1-CG2 4.37Å; V212-V216 WeakPolarHBondContact O-CB 3.33Å; V212-V216 WeakPolarHBondContact O-CG2 3.39Å; V212-V216 PolarHBondContact O-N 3.2Å; Q213-V216 PolarHBondContact O-N 3.26Å; V216-T219 PolarHBondContact O-N 2.87Å; V216-Y220 HydrophobicContact CG1-CD2 3.96Å; V216-Y220 HydrophobicContact CG1-CE2 4.27Å; V216-Y220 WeakPolarHBondContact O-CB 3.5Å; V216-Y220 WeakPolarHBondContact O-CD2 3.45Å; V216-Y220 PolarHBondContact O-N 3.01Å
217	G	38	Very low	39.3	Very low	41 Å²	41	78 Å²	78	42%	0.423	45%	0.45	S	S	.	.	H	α-helix	trans	-66.6	-40.6	176.4	0	0	0	0	0	113.4	Q213 T214 V215 Y220 A221	Q213-G217 PolarHBondContact O-N 3.39Å; T214-G217 PolarHBondContact O-N 3.46Å; V215-G217 PolarHBondContact O-N 3.41Å; G217-Y220 PolarHBondContact O-N 3.47Å; G217-A221 WeakPolarHBondContact O-CB 3.27Å; G217-A221 PolarHBondContact O-N 2.93Å
218	I	44.4	Very low	39.4	Very low	92 Å²	92	76.8 Å²	76.8	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-67.9	-41.3	173.2	-70	168.4	0	0	0	110.4	T214 V215 Y220 A221 L222	T214-I218 HydrophobicContact CG2-CD1 3.81Å; T214-I218 HydrophobicContact CG2-CG1 4.4Å; T214-I218 VanDerWaalsContact O-CB 3.27Å; T214-I218 WeakPolarHBondContact O-CB 3.2Å; T214-I218 WeakPolarHBondContact O-CD1 3.47Å; T214-I218 WeakPolarHBondContact O-CG1 3.35Å; T214-I218 PolarHBondContact O-N 3.06Å; V215-I218 PolarHBondContact O-N 2.83Å; I218-Y220 VanDerWaalsContact C-N 3.33Å; I218-Y220 PolarHBondContact O-N 3.29Å; I218-A221 PolarHBondContact O-N 3.43Å; I218-L222 HydrophobicContact CG2-CD1 3.66Å; I218-L222 HydrophobicContact CG2-CG 4.09Å; I218-L222 WeakPolarHBondContact O-CB 3.5Å; I218-L222 WeakPolarHBondContact O-CG 3.26Å; I218-L222 PolarHBondContact O-N 2.93Å
219	T	40.5	Very low	39.4	Very low	65 Å²	65	73.8 Å²	73.8	40%	0.399	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.7	-59.7	0	0	0	0	110.7	V215 V216 L222 L223	V215-T219 VanDerWaalsContact O-CB 3.26Å; V215-T219 WeakPolarHBondContact O-CB 3.28Å; V215-T219 PolarHBondContact O-N 3.36Å; V215-T219 PolarHBondContact O-OG1 3.46Å; V216-T219 PolarHBondContact O-N 2.87Å; T219-L222 PolarHBondContact O-N 2.85Å; T219-L223 HydrophobicContact CG2-CD1 3.97Å; T219-L223 HydrophobicContact CG2-CG 4.45Å; T219-L223 VanDerWaalsContact O-CB 3.24Å; T219-L223 WeakPolarHBondContact O-CB 3.31Å; T219-L223 WeakPolarHBondContact O-CD1 3.35Å; T219-L223 WeakPolarHBondContact O-CG 3.48Å; T219-L223 PolarHBondContact O-N 2.91Å
220	Y	39.5	Very low	39.3	Very low	147 Å²	147	72.5 Å²	72.5	58%	0.576	42%	0.419	S	S	*	.	H	α-helix	trans	-68.2	-42.9	173.6	-98.5	-83.3	0	0	0	112.6	V216 G217 I218 L222 L223 D224	V216-Y220 HydrophobicContact CG1-CD2 3.96Å; V216-Y220 HydrophobicContact CG1-CE2 4.27Å; V216-Y220 WeakPolarHBondContact O-CB 3.5Å; V216-Y220 WeakPolarHBondContact O-CD2 3.45Å; V216-Y220 PolarHBondContact O-N 3.01Å; G217-Y220 PolarHBondContact O-N 3.47Å; I218-Y220 VanDerWaalsContact C-N 3.33Å; I218-Y220 PolarHBondContact O-N 3.29Å; Y220-L222 VanDerWaalsContact C-N 3.32Å; Y220-L222 PolarHBondContact O-N 2.86Å; Y220-L223 CarbonylContact O-C 3.54Å; Y220-L223 PolarHBondContact O-N 3.46Å; Y220-D224 PolarHBondContact O-N 3.26Å
221	A	44.3	Very low	39.3	Very low	52 Å²	52	74.5 Å²	74.5	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-65.7	-34.8	175	0	0	0	0	0	112.5	G217 I218 D224 L225	G217-A221 WeakPolarHBondContact O-CB 3.27Å; G217-A221 PolarHBondContact O-N 2.93Å; I218-A221 PolarHBondContact O-N 3.43Å; A221-D224 PolarHBondContact O-N 3.5Å; A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 PolarHBondContact O-N 2.85Å
222	L	43.6	Very low	39.1	Very low	93 Å²	93	75.8 Å²	75.8	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-70.3	-37.2	172.1	-77.1	171.1	0	0	0	111.3	I218 T219 Y220 L225 L226	I218-L222 HydrophobicContact CG2-CD1 3.66Å; I218-L222 HydrophobicContact CG2-CG 4.09Å; I218-L222 WeakPolarHBondContact O-CB 3.5Å; I218-L222 WeakPolarHBondContact O-CG 3.26Å; I218-L222 PolarHBondContact O-N 2.93Å; T219-L222 PolarHBondContact O-N 2.85Å; Y220-L222 VanDerWaalsContact C-N 3.32Å; Y220-L222 PolarHBondContact O-N 2.86Å; L222-L225 PolarHBondContact O-N 2.82Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 2.94Å
223	L	39.3	Very low	38.9	Very low	91 Å²	91	78.7 Å²	78.7	48%	0.476	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-35.3	173.2	-80.6	164.5	0	0	0	111.3	T219 Y220 L226 A227	T219-L223 HydrophobicContact CG2-CD1 3.97Å; T219-L223 HydrophobicContact CG2-CG 4.45Å; T219-L223 VanDerWaalsContact O-CB 3.24Å; T219-L223 WeakPolarHBondContact O-CB 3.31Å; T219-L223 WeakPolarHBondContact O-CD1 3.35Å; T219-L223 WeakPolarHBondContact O-CG 3.48Å; T219-L223 PolarHBondContact O-N 2.91Å; Y220-L223 CarbonylContact O-C 3.54Å; Y220-L223 PolarHBondContact O-N 3.46Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-A227 WeakPolarHBondContact O-CB 3.46Å; L223-A227 PolarHBondContact O-N 3.43Å
224	D	43.6	Very low	38.9	Very low	44 Å²	44	80.6 Å²	80.6	24%	0.235	43%	0.433	C	S	.	.	H	α-helix	trans	-71.1	-42.3	172.3	-86.4	-16.9	0	0	0	111.4	Y220 A221 L226 A227 V228	Y220-D224 PolarHBondContact O-N 3.26Å; A221-D224 PolarHBondContact O-N 3.5Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 3.44Å; D224-A227 PolarHBondContact O-N 3.15Å; D224-A227 VanDerWaalsContact O-N 3.16Å; D224-V228 WeakPolarHBondContact O-CB 3.34Å; D224-V228 VanDerWaalsContact O-CG2 3.27Å; D224-V228 WeakPolarHBondContact O-CG2 3.49Å; D224-V228 PolarHBondContact O-N 3.03Å
225	L	41.4	Very low	38.6	Very low	58 Å²	58	86.6 Å²	86.6	30%	0.304	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-36.5	171.2	-96.3	156.2	0	0	0	112.2	A221 L222 G229 L472	A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 PolarHBondContact O-N 2.85Å; L222-L225 PolarHBondContact O-N 2.82Å; L225-G229 PolarHBondContact O-N 3.35Å; L225-L472 HydrophobicContact CD1-CD2 4.12Å; L225-L472 HydrophobicContact CD2-CD2 3.63Å
226	L	39.8	Very low	38.1	Very low	101 Å²	101	87.8 Å²	87.8	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-36.2	171.2	-101.9	143.4	0	0	0	111.1	L222 L223 D224 G229 L230	L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 2.94Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 3.43Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 3.44Å; L226-G229 CarbonylContact O-C 3.52Å; L226-G229 PolarHBondContact O-N 2.96Å; L226-L230 WeakPolarHBondContact O-CA 3.49Å; L226-L230 WeakPolarHBondContact O-CB 3.44Å; L226-L230 WeakPolarHBondContact O-CD1 3.4Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 2.93Å
227	A	38.1	Very low	38.1	Very low	27 Å²	27	88.9 Å²	88.9	22%	0.223	46%	0.461	C	S	.	.	H	α-helix	trans	-69.5	-38.2	176.9	0	0	0	0	0	110.8	L223 D224 L230 F231	L223-A227 WeakPolarHBondContact O-CB 3.46Å; L223-A227 PolarHBondContact O-N 3.43Å; D224-A227 PolarHBondContact O-N 3.15Å; D224-A227 VanDerWaalsContact O-N 3.16Å; A227-L230 CarbonylContact O-C 3.57Å; A227-L230 PolarHBondContact O-N 3.5Å; A227-F231 WeakPolarHBondContact O-CB 3.42Å; A227-F231 PolarHBondContact O-N 2.9Å
228	V	40.8	Very low	38.1	Very low	67 Å²	67	92.4 Å²	92.4	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-68.1	-39	169	175	0	0	0	0	110.5	D224 L230 F231 F232	D224-V228 WeakPolarHBondContact O-CB 3.34Å; D224-V228 VanDerWaalsContact O-CG2 3.27Å; D224-V228 WeakPolarHBondContact O-CG2 3.49Å; D224-V228 PolarHBondContact O-N 3.03Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 3.08Å; V228-F231 WeakPolarHBondContact O-CA 3.16Å; V228-F231 WeakPolarHBondContact O-CB 3.3Å; V228-F231 PolarHBondContact O-N 2.66Å; V228-F232 HydrophobicContact CG1-CD2 4.34Å; V228-F232 HydrophobicContact CG1-CE2 4.38Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 3.36Å
229	G	34.3	Very low	38.2	Very low	24 Å²	24	90.5 Å²	90.5	25%	0.247	45%	0.454	C	S	.	.	H	α-helix	trans	-65.6	-35.1	172.2	0	0	0	0	0	113.4	L225 L226 F231 F232 M233	L225-G229 PolarHBondContact O-N 3.35Å; L226-G229 CarbonylContact O-C 3.52Å; L226-G229 PolarHBondContact O-N 2.96Å; G229-F231 VanDerWaalsContact C-N 3.34Å; G229-F232 CarbonylContact O-C 3.51Å; G229-F232 WeakPolarHBondContact O-CA 3.45Å; G229-F232 VanDerWaalsContact O-CB 3.26Å; G229-F232 WeakPolarHBondContact O-CB 3.31Å; G229-F232 PolarHBondContact O-N 3.12Å; G229-M233 PolarHBondContact O-N 3.17Å
230	L	33.7	Very low	38.6	Very low	71 Å²	71	88.4 Å²	88.4	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-76	-25.7	173	-71.8	166.2	0	0	0	110.5	L226 A227 V228 M233 Y234	L226-L230 WeakPolarHBondContact O-CA 3.49Å; L226-L230 WeakPolarHBondContact O-CB 3.44Å; L226-L230 WeakPolarHBondContact O-CD1 3.4Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 2.93Å; A227-L230 CarbonylContact O-C 3.57Å; A227-L230 PolarHBondContact O-N 3.5Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 3.08Å; L230-M233 PolarHBondContact O-N 3.43Å; L230-Y234 HydrophobicContact CB-CD2 4.43Å; L230-Y234 HydrophobicContact CD2-CD2 3.48Å; L230-Y234 VanDerWaalsContact CD2-CD2 3.48Å; L230-Y234 HydrophobicContact CD2-CE2 3.56Å; L230-Y234 WeakPolarHBondContact O-CA 3.03Å; L230-Y234 WeakPolarHBondContact O-CB 3.36Å; L230-Y234 PolarHBondContact O-N 3.05Å
231	F	36.1	Very low	39.1	Very low	91 Å²	91	81.5 Å²	81.5	40%	0.399	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-46.1	165.2	-168.9	-77.5	0	0	0	109.6	A227 V228 G229 M233 K235 I236	A227-F231 WeakPolarHBondContact O-CB 3.42Å; A227-F231 PolarHBondContact O-N 2.9Å; V228-F231 WeakPolarHBondContact O-CA 3.16Å; V228-F231 WeakPolarHBondContact O-CB 3.3Å; V228-F231 PolarHBondContact O-N 2.66Å; G229-F231 VanDerWaalsContact C-N 3.34Å; F231-M233 VanDerWaalsContact C-N 3.27Å; F231-M233 PolarHBondContact O-N 3.4Å; F231-K235 PolarHBondContact O-N 3.27Å; F231-I236 WeakPolarHBondContact CD2-O 3.35Å; F231-I236 WeakPolarHBondContact CE2-O 3.49Å
232	F	34.5	Very low	39.2	Very low	113 Å²	113	81.1 Å²	81.1	50%	0.496	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-30.8	172.4	-91.7	-81.3	0	0	0	113.4	V228 G229 L437 A441	V228-F232 HydrophobicContact CG1-CD2 4.34Å; V228-F232 HydrophobicContact CG1-CE2 4.38Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 3.36Å; G229-F232 CarbonylContact O-C 3.51Å; G229-F232 WeakPolarHBondContact O-CA 3.45Å; G229-F232 VanDerWaalsContact O-CB 3.26Å; G229-F232 WeakPolarHBondContact O-CB 3.31Å; G229-F232 PolarHBondContact O-N 3.12Å; F232-L437 HydrophobicContact CE2-CD2 3.9Å; F232-L437 HydrophobicContact CZ-CD2 4.22Å; F232-L437 HydrophobicContact CZ-CG 4.4Å; F232-A441 HydrophobicContact CE1-CB 3.98Å; F232-A441 HydrophobicContact CZ-CB 4Å
233	M	32.8	Very low	39.5	Very low	150 Å²	150	77.7 Å²	77.7	74%	0.739	39%	0.394	S	S	*	.	H	α-helix	trans	-97	-31.5	-178.7	-81.4	-165.7	145.4	0	0	115.9	G229 L230 F231	G229-M233 PolarHBondContact O-N 3.17Å; L230-M233 PolarHBondContact O-N 3.43Å; F231-M233 VanDerWaalsContact C-N 3.27Å; F231-M233 PolarHBondContact O-N 3.4Å
234	Y	32.4	Very low	40.1	Very low	157 Å²	157	74.9 Å²	74.9	62%	0.616	38%	0.378	S	S	*	.	H	α-helix	trans	-132.4	7.1	-163.1	-67	-78.7	0	0	0	115.7	L230 I236	L230-Y234 HydrophobicContact CB-CD2 4.43Å; L230-Y234 HydrophobicContact CD2-CD2 3.48Å; L230-Y234 VanDerWaalsContact CD2-CD2 3.48Å; L230-Y234 HydrophobicContact CD2-CE2 3.56Å; L230-Y234 WeakPolarHBondContact O-CA 3.03Å; L230-Y234 WeakPolarHBondContact O-CB 3.36Å; L230-Y234 PolarHBondContact O-N 3.05Å; Y234-I236 VanDerWaalsContact C-N 3.32Å; Y234-I236 PolarHBondContact O-N 3.35Å
235	K	31.8	Very low	40.4	Very low	181 Å²	181	73.7 Å²	73.7	79%	0.787	37%	0.371	S	S	*	.			trans	54.1	38.7	177.6	-67.4	-175	173.4	-178.3	0	114.6	F231	F231-K235 PolarHBondContact O-N 3.27Å
236	I	31.9	Very low	40.8	Very low	103 Å²	103	76 Å²	76	53%	0.528	38%	0.382	S	S	.	.			trans	-90.2	112.6	177	-58.7	176.2	0	0	0	109.4	F231 Y234 Y238	F231-I236 WeakPolarHBondContact CD2-O 3.35Å; F231-I236 WeakPolarHBondContact CE2-O 3.49Å; Y234-I236 VanDerWaalsContact C-N 3.32Å; Y234-I236 PolarHBondContact O-N 3.35Å; I236-Y238 PolarHBondContact O-N 3.49Å
237	D	40.2	Very low	41.2	Very low	99 Å²	99	73 Å²	73	53%	0.529	37%	0.369	S	S	.	.			trans	-64.9	93	176	-81.3	-48.9	0	0	0	112	R304	D237-R304 IonicContact OD1-NH1 3.35Å; D237-R304 IonicContact OD2-CZ 3.17Å; D237-R304 IonicContact OD2-NH1 3.63Å; D237-R304 PolarHBondContact OD2-NH1 3.38Å; D237-R304 IonicContact OD2-NH2 2.91Å; D237-R304 PolarHBondContact OD2-NH2 3.36Å
238	Y	37.4	Very low	41.9	Very low	114 Å²	114	71.8 Å²	71.8	45%	0.447	36%	0.359	S	S	.	.			trans	-107	124.8	176.4	-170.8	-102.9	0	0	0	111	I236 P240	I236-Y238 PolarHBondContact O-N 3.49Å; Y238-P240 HydrophobicContact CE1-CB 4.23Å
239	T	47.2	Very low	42.1	Very low	52 Å²	52	70 Å²	70	32%	0.319	36%	0.355	S	S	.	.			trans	-98.6	119.7	168.2	47.3	0	0	0	0	108.7	L241 P242	T239-L241 PolarHBondContact O-N 2.87Å; T239-P242 WeakPolarHBondContact O-CD 3.41Å
240	P	48.3	Very low	42.9	Very low	21 Å²	21	73.3 Å²	73.3	14%	0.136	37%	0.366	C	S	.	.			trans	-76.1	-1.6	179.3	31.9	-36.4	0	0	0	112.7	Y238 A243 F244 Y277	Y238-P240 HydrophobicContact CE1-CB 4.23Å; P240-A243 WeakPolarHBondContact O-CB 3.4Å; P240-A243 PolarHBondContact O-N 3.41Å; P240-A243 VanDerWaalsContact O-N 3.11Å; P240-F244 HydrophobicContact CB-CD2 3.97Å; P240-F244 HydrophobicContact CB-CE2 3.6Å; P240-F244 HydrophobicContact CG-CD2 4.25Å; P240-F244 HydrophobicContact CG-CE2 3.75Å; P240-F244 WeakPolarHBondContact O-CD2 3.34Å; P240-F244 PolarHBondContact O-N 3.44Å; P240-Y277 HydrophobicContact CG-CD1 4.25Å; P240-Y277 HydrophobicContact CG-CE1 3.77Å; P240-Y277 HydrophobicContact CG-CE2 4.08Å
241	L	49.8	Very low	44	Very low	2 Å²	2	72.3 Å²	72.3	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-56.8	-45.6	-176.1	-177.6	68.1	0	0	0	113.9	T239 A243 F244 I245 C278 D281	T239-L241 PolarHBondContact O-N 2.87Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.31Å; L241-F244 PolarHBondContact O-N 2.84Å; L241-I245 HydrophobicContact CD1-CD1 4.06Å; L241-I245 HydrophobicContact CD1-CG1 4.25Å; L241-I245 HydrophobicContact CD2-CD1 4.42Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 HydrophobicContact CG-CG1 4.44Å; L241-I245 WeakPolarHBondContact O-CG1 3.27Å; L241-I245 PolarHBondContact O-N 2.86Å; L241-C278 VanDerWaalsContact CD1-SG 3.53Å; L241-D281 HydrophobicContact CD2-CB 4.38Å; L241-D281 WeakPolarHBondContact CD2-OD2 3.45Å
242	P	47.3	Very low	44.6	Very low	45 Å²	45	68.8 Å²	68.8	29%	0.292	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-37.4	176.6	-22.1	35.1	0	0	0	112.1	T239 I245 I246 L316	T239-P242 WeakPolarHBondContact O-CD 3.41Å; P242-I245 PolarHBondContact O-N 3.25Å; P242-I246 WeakPolarHBondContact O-CB 3.48Å; P242-I246 WeakPolarHBondContact O-CD1 3.29Å; P242-I246 WeakPolarHBondContact O-CG1 3.43Å; P242-I246 PolarHBondContact O-N 2.84Å; P242-L316 HydrophobicContact CG-CD2 4.44Å
243	A	48.2	Very low	45.3	Very low	21 Å²	21	68.6 Å²	68.6	17%	0.174	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-45.8	176.1	0	0	0	0	0	110.6	P240 L241 I245 I246 C247	P240-A243 WeakPolarHBondContact O-CB 3.4Å; P240-A243 PolarHBondContact O-N 3.41Å; P240-A243 VanDerWaalsContact O-N 3.11Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.31Å; A243-I245 PolarHBondContact O-N 3.45Å; A243-I246 PolarHBondContact O-N 3.34Å; A243-C247 WeakPolarHBondContact O-CB 3.24Å; A243-C247 PolarHBondContact O-N 2.73Å; A243-C247 PolarHBondContact O-SG 3.45Å
244	F	53.1	Low	46.1	Very low	32 Å²	32	66.5 Å²	66.5	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175.8	-73.5	-60	0	0	0	112.8	P240 L241 S248 M270 F273 Y277	P240-F244 HydrophobicContact CB-CD2 3.97Å; P240-F244 HydrophobicContact CB-CE2 3.6Å; P240-F244 HydrophobicContact CG-CD2 4.25Å; P240-F244 HydrophobicContact CG-CE2 3.75Å; P240-F244 WeakPolarHBondContact O-CD2 3.34Å; P240-F244 PolarHBondContact O-N 3.44Å; L241-F244 PolarHBondContact O-N 2.84Å; F244-S248 VanDerWaalsContact O-CB 3.3Å; F244-S248 WeakPolarHBondContact O-CB 3.37Å; F244-S248 PolarHBondContact O-N 3.13Å; F244-S248 PolarHBondContact O-OG 3.08Å; F244-M270 HydrophobicContact CD1-SD 3.79Å; F244-M270 HydrophobicContact CE1-SD 3.84Å; F244-F273 HydrophobicContact CD1-CB 3.99Å; F244-F273 HydrophobicContact CE1-CB 3.59Å; F244-F273 HydrophobicContact CE1-CG 4.26Å; F244-F273 HydrophobicContact CZ-CB 3.91Å; F244-Y277 HydrophobicContact CD2-CD2 4.27Å; F244-Y277 HydrophobicContact CD2-CE2 4.37Å; F244-Y277 HydrophobicContact CE2-CD2 4.15Å; F244-Y277 AromaticContact CE2-CE2 3.79Å; F244-Y277 HydrophobicContact CE2-CE2 3.79Å
245	I	49.4	Very low	47	Very low	19 Å²	19	59 Å²	59	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-46.6	179	-68.1	171.4	0	0	0	110.8	L241 P242 A243 S248 G249 L316 L319 A320 Q323	L241-I245 HydrophobicContact CD1-CD1 4.06Å; L241-I245 HydrophobicContact CD1-CG1 4.25Å; L241-I245 HydrophobicContact CD2-CD1 4.42Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 HydrophobicContact CG-CG1 4.44Å; L241-I245 WeakPolarHBondContact O-CG1 3.27Å; L241-I245 PolarHBondContact O-N 2.86Å; P242-I245 PolarHBondContact O-N 3.25Å; A243-I245 PolarHBondContact O-N 3.45Å; I245-S248 PolarHBondContact O-OG 3.43Å; I245-G249 PolarHBondContact O-N 2.66Å; I245-L316 HydrophobicContact CD1-CD2 4.43Å; I245-L319 HydrophobicContact CD1-CB 4.47Å; I245-A320 HydrophobicContact CD1-CB 4.37Å; I245-Q323 PolarHBondContact O-NE2 3.48Å; I245-Q323 VanDerWaalsContact O-NE2 3.13Å
246	I	49	Very low	47.9	Very low	106 Å²	106	55.1 Å²	55.1	54%	0.544	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-46.8	179.4	-68.1	167	0	0	0	110.3	P242 A243 G249 L250	P242-I246 WeakPolarHBondContact O-CB 3.48Å; P242-I246 WeakPolarHBondContact O-CD1 3.29Å; P242-I246 WeakPolarHBondContact O-CG1 3.43Å; P242-I246 PolarHBondContact O-N 2.84Å; A243-I246 PolarHBondContact O-N 3.34Å; I246-G249 PolarHBondContact O-N 3.36Å; I246-L250 HydrophobicContact CG2-CD1 3.72Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CB 3.16Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 2.94Å
247	C	50.1	Low	48.5	Very low	38 Å²	38	59.9 Å²	59.9	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-48.3	178.8	-72.4	0	0	0	0	111.6	A243 G249 L250 F251	A243-C247 WeakPolarHBondContact O-CB 3.24Å; A243-C247 PolarHBondContact O-N 2.73Å; A243-C247 PolarHBondContact O-SG 3.45Å; C247-G249 VanDerWaalsContact C-N 3.35Å; C247-G249 PolarHBondContact O-N 3.09Å; C247-L250 PolarHBondContact O-N 3.42Å; C247-F251 HydrophobicContact CB-CD2 4.35Å; C247-F251 HydrophobicContact CB-CE2 3.95Å; C247-F251 VanDerWaalsContact O-CB 3.28Å; C247-F251 WeakPolarHBondContact O-CB 3.45Å; C247-F251 WeakPolarHBondContact O-CD2 3.42Å; C247-F251 WeakPolarHBondContact O-CG 3.2Å; C247-F251 PolarHBondContact O-N 2.86Å
248	S	52.1	Low	49	Very low	1 Å²	1	61 Å²	61	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-34.3	177.7	51.9	0	0	0	0	112.4	F244 I245 A252 T267 Q323	F244-S248 VanDerWaalsContact O-CB 3.3Å; F244-S248 WeakPolarHBondContact O-CB 3.37Å; F244-S248 PolarHBondContact O-N 3.13Å; F244-S248 PolarHBondContact O-OG 3.08Å; I245-S248 PolarHBondContact O-OG 3.43Å; S248-A252 VanDerWaalsContact O-CB 3.24Å; S248-A252 WeakPolarHBondContact O-CB 3.45Å; S248-A252 PolarHBondContact O-N 3.44Å; S248-T267 WeakPolarHBondContact O-CG2 3.34Å; S248-Q323 PolarHBondContact OG-NE2 3.29Å
249	G	44.6	Very low	49.2	Very low	30 Å²	30	56.6 Å²	56.6	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-44.9	172.2	0	0	0	0	0	113.1	I245 I246 C247 A252 H253	I245-G249 PolarHBondContact O-N 2.66Å; I246-G249 PolarHBondContact O-N 3.36Å; C247-G249 VanDerWaalsContact C-N 3.35Å; C247-G249 PolarHBondContact O-N 3.09Å; G249-A252 PolarHBondContact O-N 2.89Å; G249-H253 WeakPolarHBondContact O-CB 3.48Å; G249-H253 PolarHBondContact O-N 3.26Å
250	L	51.4	Low	49.2	Very low	93 Å²	93	55.2 Å²	55.2	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-43.6	175.5	-74.1	171.5	0	0	0	111.2	I246 C247 Y254	I246-L250 HydrophobicContact CG2-CD1 3.72Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CB 3.16Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 2.94Å; C247-L250 PolarHBondContact O-N 3.42Å; L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CD2 3.37Å; L250-Y254 PolarHBondContact O-N 3.08Å
251	F	55.6	Low	49.1	Very low	51 Å²	51	54.7 Å²	54.7	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-39.1	175.9	-63.3	-31	0	0	0	111.6	C247 G255 L263 L266 T267 M270	C247-F251 HydrophobicContact CB-CD2 4.35Å; C247-F251 HydrophobicContact CB-CE2 3.95Å; C247-F251 VanDerWaalsContact O-CB 3.28Å; C247-F251 WeakPolarHBondContact O-CB 3.45Å; C247-F251 WeakPolarHBondContact O-CD2 3.42Å; C247-F251 WeakPolarHBondContact O-CG 3.2Å; C247-F251 PolarHBondContact O-N 2.86Å; F251-G255 WeakPolarHBondContact O-CA 3.49Å; F251-G255 PolarHBondContact O-N 3.24Å; F251-L263 HydrophobicContact CB-CD2 4.13Å; F251-L263 WeakPolarHBondContact CB-O 3.41Å; F251-L263 HydrophobicContact CD1-CD2 3.37Å; F251-L263 HydrophobicContact CE1-CD2 4.12Å; F251-L263 HydrophobicContact CG-CD2 4.08Å; F251-L263 WeakPolarHBondContact O-CB 3.46Å; F251-L266 HydrophobicContact CD2-CB 3.95Å; F251-L266 HydrophobicContact CE2-CB 4.32Å; F251-L266 HydrophobicContact CG-CB 4.3Å; F251-T267 WeakPolarHBondContact CB-OG1 3.45Å; F251-M270 HydrophobicContact CD2-CG 4.08Å; F251-M270 HydrophobicContact CE2-CE 4.31Å; F251-M270 HydrophobicContact CE2-CG 3.91Å
252	A	50.2	Low	48.9	Very low	16 Å²	16	56 Å²	56	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-50.6	176.5	0	0	0	0	0	110.5	S248 G249 G255 F256 T267 L330	S248-A252 VanDerWaalsContact O-CB 3.24Å; S248-A252 WeakPolarHBondContact O-CB 3.45Å; S248-A252 PolarHBondContact O-N 3.44Å; G249-A252 PolarHBondContact O-N 2.89Å; A252-G255 PolarHBondContact O-N 3.24Å; A252-F256 VanDerWaalsContact O-CD2 3.22Å; A252-F256 WeakPolarHBondContact O-CD2 3.21Å; A252-F256 PolarHBondContact O-N 2.67Å; A252-T267 WeakPolarHBondContact CA-OG1 3.26Å; A252-T267 HydrophobicContact CB-CG2 3.8Å; A252-T267 PolarHBondContact N-OG1 2.83Å; A252-L330 HydrophobicContact CB-CD1 4.23Å
253	H	49	Very low	49.1	Very low	110 Å²	110	55.2 Å²	55.2	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-46.5	-177.6	-179.5	-90.5	0	0	0	111.7	G249 R257	G249-H253 WeakPolarHBondContact O-CB 3.48Å; G249-H253 PolarHBondContact O-N 3.26Å; H253-R257 VanDerWaalsContact O-CB 3.26Å; H253-R257 WeakPolarHBondContact O-CB 3.48Å; H253-R257 PolarHBondContact O-N 2.88Å
254	Y	49.8	Very low	49.2	Very low	106 Å²	106	54.8 Å²	54.8	42%	0.416	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-35.9	176.3	-90.7	-84.5	0	0	0	112.6	L250 R257 K258	L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CD2 3.37Å; L250-Y254 PolarHBondContact O-N 3.08Å; Y254-R257 PolarHBondContact O-N 2.81Å; Y254-K258 HydrophobicContact CD1-CD 3.92Å; Y254-K258 HydrophobicContact CD1-CG 4.38Å; Y254-K258 VanDerWaalsContact O-CB 3.3Å; Y254-K258 WeakPolarHBondContact O-CB 3.27Å; Y254-K258 PolarHBondContact O-N 3.49Å
255	G	51	Low	49	Very low	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-42.7	177.4	0	0	0	0	0	112.2	F251 A252 G259 C260 L263	F251-G255 WeakPolarHBondContact O-CA 3.49Å; F251-G255 PolarHBondContact O-N 3.24Å; A252-G255 PolarHBondContact O-N 3.24Å; G255-G259 CarbonylContact O-C 3.57Å; G255-G259 WeakPolarHBondContact O-CA 3.3Å; G255-G259 PolarHBondContact O-N 3.29Å; G255-G259 VanDerWaalsContact O-N 3.12Å; G255-C260 PolarHBondContact O-N 2.81Å; G255-L263 VanDerWaalsContact CA-CB 3.47Å
256	F	49.8	Very low	49.1	Very low	98 Å²	98	55.7 Å²	55.7	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-69.3	-49.7	172.7	-82.4	-64.8	0	0	0	112.6	A252 K258 G259 L264 L330	A252-F256 VanDerWaalsContact O-CD2 3.22Å; A252-F256 WeakPolarHBondContact O-CD2 3.21Å; A252-F256 PolarHBondContact O-N 2.67Å; F256-K258 VanDerWaalsContact C-N 3.31Å; F256-K258 PolarHBondContact O-N 3.43Å; F256-G259 PolarHBondContact O-N 2.78Å; F256-L264 HydrophobicContact CD2-CD2 4.18Å; F256-L264 HydrophobicContact CE1-CD2 4.48Å; F256-L264 HydrophobicContact CE2-CD2 4.1Å; F256-L264 HydrophobicContact CG-CD2 4.43Å; F256-L264 HydrophobicContact CZ-CD2 4.24Å; F256-L330 HydrophobicContact CD2-CD2 4.4Å; F256-L330 HydrophobicContact CE2-CD1 4.48Å; F256-L330 HydrophobicContact CE2-CD2 3.37Å; F256-L330 HydrophobicContact CE2-CG 4.17Å; F256-L330 HydrophobicContact CZ-CD2 3.46Å; F256-L330 VanDerWaalsContact CZ-CD2 3.46Å; F256-L330 HydrophobicContact CZ-CG 4.33Å
257	R	44.5	Very low	49.3	Very low	203 Å²	203	50.8 Å²	50.8	77%	0.766	25%	0.252	S	S	*	.	H	α-helix	trans	-65.3	-33.6	-174.9	-171.5	174.1	179.4	169.5	0.4	113.1	H253 Y254	H253-R257 VanDerWaalsContact O-CB 3.26Å; H253-R257 WeakPolarHBondContact O-CB 3.48Å; H253-R257 PolarHBondContact O-N 2.88Å; Y254-R257 PolarHBondContact O-N 2.81Å
258	K	50.4	Low	49.3	Very low	124 Å²	124	49.8 Å²	49.8	54%	0.539	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	1.2	-179.3	-63.4	-173	172.2	177.6	0	113.5	Y254 F256 C260	Y254-K258 HydrophobicContact CD1-CD 3.92Å; Y254-K258 HydrophobicContact CD1-CG 4.38Å; Y254-K258 VanDerWaalsContact O-CB 3.3Å; Y254-K258 WeakPolarHBondContact O-CB 3.27Å; Y254-K258 PolarHBondContact O-N 3.49Å; F256-K258 VanDerWaalsContact C-N 3.31Å; F256-K258 PolarHBondContact O-N 3.43Å; K258-C260 HydrophobicContact CB-CB 4.14Å; K258-C260 PolarHBondContact O-N 2.69Å
259	G	42.2	Very low	49.3	Very low	21 Å²	21	51.4 Å²	51.4	22%	0.216	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.9	-173.2	0	0	0	0	0	112.3	G255 F256 P261 M494	G255-G259 CarbonylContact O-C 3.57Å; G255-G259 WeakPolarHBondContact O-CA 3.3Å; G255-G259 PolarHBondContact O-N 3.29Å; G255-G259 VanDerWaalsContact O-N 3.12Å; F256-G259 PolarHBondContact O-N 2.78Å; G259-P261 WeakPolarHBondContact O-CD 3.3Å; G259-M494 WeakPolarHBondContact O-CG 3.35Å
260	C	47.2	Very low	49.7	Very low	22 Å²	22	52.2 Å²	52.2	15%	0.149	25%	0.249	C	C	.	.			trans	-99	100	-170.6	-171.7	0	0	0	0	109.1	G255 K258 L262 L263 L264	G255-C260 PolarHBondContact O-N 2.81Å; K258-C260 HydrophobicContact CB-CB 4.14Å; K258-C260 PolarHBondContact O-N 2.69Å; C260-L262 PolarHBondContact O-N 3.33Å; C260-L262 VanDerWaalsContact O-N 3.16Å; C260-L262 WeakPolarHBondContact SG-CB 3.3Å; C260-L263 HydrophobicContact CB-CB 4.41Å; C260-L263 HydrophobicContact CB-CD1 3.75Å; C260-L263 HydrophobicContact CB-CG 4.42Å; C260-L263 PolarHBondContact O-N 2.82Å; C260-L263 VanDerWaalsContact O-N 3.16Å; C260-L264 PolarHBondContact O-N 2.83Å
261	P	47.1	Very low	49.7	Very low	10 Å²	10	48.1 Å²	48.1	7%	0.065	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-27.4	-177.7	23.9	-33.1	0	0	0	112.2	G259 L263 L264 V265	G259-P261 WeakPolarHBondContact O-CD 3.3Å; P261-L263 PolarHBondContact O-N 3.08Å; P261-L264 WeakPolarHBondContact O-CB 3.5Å; P261-L264 PolarHBondContact O-N 3.41Å; P261-V265 WeakPolarHBondContact O-CG2 3.38Å; P261-V265 PolarHBondContact O-N 3.28Å
262	L	44.5	Very low	49.5	Very low	29 Å²	29	50.5 Å²	50.5	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-47.8	-55.1	171.3	-165.4	86.1	0	0	0	113.7	C260 L264 V265 L266 V486	C260-L262 PolarHBondContact O-N 3.33Å; C260-L262 VanDerWaalsContact O-N 3.16Å; C260-L262 WeakPolarHBondContact SG-CB 3.3Å; L262-L264 VanDerWaalsContact C-N 3.28Å; L262-L264 PolarHBondContact O-N 2.86Å; L262-V265 PolarHBondContact O-N 2.98Å; L262-L266 HydrophobicContact CD2-CD1 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.12Å; L262-L266 WeakPolarHBondContact O-CB 3.26Å; L262-L266 PolarHBondContact O-N 3.42Å; L262-V486 HydrophobicContact CD1-CB 3.21Å; L262-V486 HydrophobicContact CD1-CG1 3.29Å; L262-V486 HydrophobicContact CD1-CG2 3.12Å; L262-V486 HydrophobicContact CD2-CG1 4.35Å; L262-V486 HydrophobicContact CG-CB 4.47Å; L262-V486 HydrophobicContact CG-CG1 4.37Å; L262-V486 HydrophobicContact CG-CG2 4.04Å
263	L	50.9	Low	49.5	Very low	29 Å²	29	52.8 Å²	52.8	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-71.8	-32	-174.7	-78.4	159.5	0	0	0	109.2	F251 G255 C260 P261 T267	F251-L263 HydrophobicContact CB-CD2 4.13Å; F251-L263 WeakPolarHBondContact CB-O 3.41Å; F251-L263 HydrophobicContact CD1-CD2 3.37Å; F251-L263 HydrophobicContact CE1-CD2 4.12Å; F251-L263 HydrophobicContact CG-CD2 4.08Å; F251-L263 WeakPolarHBondContact O-CB 3.46Å; G255-L263 VanDerWaalsContact CA-CB 3.47Å; C260-L263 HydrophobicContact CB-CB 4.41Å; C260-L263 HydrophobicContact CB-CD1 3.75Å; C260-L263 HydrophobicContact CB-CG 4.42Å; C260-L263 PolarHBondContact O-N 2.82Å; C260-L263 VanDerWaalsContact O-N 3.16Å; P261-L263 PolarHBondContact O-N 3.08Å; L263-T267 WeakPolarHBondContact O-CB 3.35Å; L263-T267 PolarHBondContact O-N 3.21Å; L263-T267 PolarHBondContact O-OG1 3.28Å
264	L	51.3	Low	49.4	Very low	12 Å²	12	47.8 Å²	47.8	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-41	171.8	-66.2	167.7	0	0	0	112.1	F256 C260 P261 L262 T267 V268 L330 T334	F256-L264 HydrophobicContact CD2-CD2 4.18Å; F256-L264 HydrophobicContact CE1-CD2 4.48Å; F256-L264 HydrophobicContact CE2-CD2 4.1Å; F256-L264 HydrophobicContact CG-CD2 4.43Å; F256-L264 HydrophobicContact CZ-CD2 4.24Å; C260-L264 PolarHBondContact O-N 2.83Å; P261-L264 WeakPolarHBondContact O-CB 3.5Å; P261-L264 PolarHBondContact O-N 3.41Å; L262-L264 VanDerWaalsContact C-N 3.28Å; L262-L264 PolarHBondContact O-N 2.86Å; L264-T267 WeakPolarHBondContact O-CB 3.36Å; L264-T267 PolarHBondContact O-N 2.86Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 2.74Å; L264-L330 HydrophobicContact CD2-CD2 3.35Å; L264-T334 HydrophobicContact CB-CG2 3.8Å
265	V	48.7	Very low	49.3	Very low	33 Å²	33	45 Å²	45	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-44.6	175.1	173.3	0	0	0	0	111.3	P261 L262 T267 V268 I269 T334 L338	P261-V265 WeakPolarHBondContact O-CG2 3.38Å; P261-V265 PolarHBondContact O-N 3.28Å; L262-V265 PolarHBondContact O-N 2.98Å; V265-T267 VanDerWaalsContact C-N 3.27Å; V265-T267 PolarHBondContact O-N 3.48Å; V265-V268 PolarHBondContact O-N 3.19Å; V265-V268 VanDerWaalsContact O-N 3.15Å; V265-I269 HydrophobicContact CG1-CD1 3.7Å; V265-I269 HydrophobicContact CG1-CG1 4.35Å; V265-I269 WeakPolarHBondContact O-CB 3.42Å; V265-I269 VanDerWaalsContact O-CG1 3.27Å; V265-I269 WeakPolarHBondContact O-CG1 3.44Å; V265-I269 PolarHBondContact O-N 2.96Å; V265-T334 HydrophobicContact CG2-CG2 3.73Å; V265-L338 HydrophobicContact CG2-CD1 3.72Å; V265-L338 HydrophobicContact CG2-CG 4.35Å
266	L	51.2	Low	49.1	Very low	38 Å²	38	48.6 Å²	48.6	20%	0.199	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-36.4	172.9	-84.7	150.6	0	0	0	112.2	F251 L262 I269 M270	F251-L266 HydrophobicContact CD2-CB 3.95Å; F251-L266 HydrophobicContact CE2-CB 4.32Å; F251-L266 HydrophobicContact CG-CB 4.3Å; L262-L266 HydrophobicContact CD2-CD1 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.12Å; L262-L266 WeakPolarHBondContact O-CB 3.26Å; L262-L266 PolarHBondContact O-N 3.42Å; L266-I269 PolarHBondContact O-N 3.48Å; L266-M270 VanDerWaalsContact O-CB 3.27Å; L266-M270 WeakPolarHBondContact O-CB 3.46Å; L266-M270 WeakPolarHBondContact O-CG 3.42Å; L266-M270 PolarHBondContact O-N 2.8Å
267	T	53.1	Low	49.2	Very low	2 Å²	2	47.9 Å²	47.9	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-44.9	173.5	-59.1	0	0	0	0	111.4	S248 F251 A252 L263 L264 V265 G271 L330	S248-T267 WeakPolarHBondContact O-CG2 3.34Å; F251-T267 WeakPolarHBondContact CB-OG1 3.45Å; A252-T267 WeakPolarHBondContact CA-OG1 3.26Å; A252-T267 HydrophobicContact CB-CG2 3.8Å; A252-T267 PolarHBondContact N-OG1 2.83Å; L263-T267 WeakPolarHBondContact O-CB 3.35Å; L263-T267 PolarHBondContact O-N 3.21Å; L263-T267 PolarHBondContact O-OG1 3.28Å; L264-T267 WeakPolarHBondContact O-CB 3.36Å; L264-T267 PolarHBondContact O-N 2.86Å; V265-T267 VanDerWaalsContact C-N 3.27Å; V265-T267 PolarHBondContact O-N 3.48Å; T267-G271 WeakPolarHBondContact O-CA 3.3Å; T267-G271 PolarHBondContact O-N 3.36Å; T267-L330 HydrophobicContact CG2-CD1 3.91Å
268	V	51.4	Low	49.2	Very low	17 Å²	17	38.5 Å²	38.5	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-46.2	178.5	169.5	0	0	0	0	110.1	L264 V265 G271 Y272 T331	L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 2.74Å; V265-V268 PolarHBondContact O-N 3.19Å; V265-V268 VanDerWaalsContact O-N 3.15Å; V268-G271 PolarHBondContact O-N 2.68Å; V268-Y272 HydrophobicContact CG1-CD2 3.62Å; V268-Y272 HydrophobicContact CG1-CE2 3.52Å; V268-Y272 WeakPolarHBondContact O-CD2 3.35Å; V268-Y272 PolarHBondContact O-N 3.37Å; V268-T331 HydrophobicContact CG1-CG2 4.15Å; V268-T331 WeakPolarHBondContact CG1-OG1 3.4Å; V268-T331 WeakPolarHBondContact CG2-OG1 3.33Å
269	I	51.8	Low	49	Very low	35 Å²	35	38 Å²	38	18%	0.179	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-51.9	177.8	-69.2	168	0	0	0	110.9	V265 L266 G271 Y272 F273 F423	V265-I269 HydrophobicContact CG1-CD1 3.7Å; V265-I269 HydrophobicContact CG1-CG1 4.35Å; V265-I269 WeakPolarHBondContact O-CB 3.42Å; V265-I269 VanDerWaalsContact O-CG1 3.27Å; V265-I269 WeakPolarHBondContact O-CG1 3.44Å; V265-I269 PolarHBondContact O-N 2.96Å; L266-I269 PolarHBondContact O-N 3.48Å; I269-G271 VanDerWaalsContact C-N 3.29Å; I269-G271 PolarHBondContact O-N 2.84Å; I269-Y272 PolarHBondContact O-N 2.92Å; I269-F273 HydrophobicContact CG2-CD2 3.74Å; I269-F273 HydrophobicContact CG2-CE2 3.38Å; I269-F273 WeakPolarHBondContact O-CD2 3.47Å; I269-F273 PolarHBondContact O-N 2.93Å; I269-F423 HydrophobicContact CD1-CE1 4.47Å; I269-F423 HydrophobicContact CD1-CZ 4.02Å
270	M	52.4	Low	49.3	Very low	47 Å²	47	43.2 Å²	43.2	23%	0.232	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-34.7	177.6	-69	-63.9	174.5	0	0	112.2	F244 F251 L266 F273 G274	F244-M270 HydrophobicContact CD1-SD 3.79Å; F244-M270 HydrophobicContact CE1-SD 3.84Å; F251-M270 HydrophobicContact CD2-CG 4.08Å; F251-M270 HydrophobicContact CE2-CE 4.31Å; F251-M270 HydrophobicContact CE2-CG 3.91Å; L266-M270 VanDerWaalsContact O-CB 3.27Å; L266-M270 WeakPolarHBondContact O-CB 3.46Å; L266-M270 WeakPolarHBondContact O-CG 3.42Å; L266-M270 PolarHBondContact O-N 2.8Å; M270-F273 PolarHBondContact O-N 2.88Å; M270-G274 PolarHBondContact O-N 3.09Å
271	G	52.5	Low	49.2	Very low	7 Å²	7	42.4 Å²	42.4	7%	0.072	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-48.9	172.3	0	0	0	0	0	111.4	T267 V268 I269 F273 G274 I275	T267-G271 WeakPolarHBondContact O-CA 3.3Å; T267-G271 PolarHBondContact O-N 3.36Å; V268-G271 PolarHBondContact O-N 2.68Å; I269-G271 VanDerWaalsContact C-N 3.29Å; I269-G271 PolarHBondContact O-N 2.84Å; G271-F273 VanDerWaalsContact C-N 3.33Å; G271-F273 PolarHBondContact O-N 3.32Å; G271-G274 WeakPolarHBondContact O-CA 3.23Å; G271-G274 PolarHBondContact O-N 2.67Å; G271-I275 WeakPolarHBondContact O-CG1 3.29Å; G271-I275 PolarHBondContact O-N 3.38Å; G271-I275 VanDerWaalsContact O-N 3.17Å
272	Y	50.9	Low	48.9	Very low	101 Å²	101	42.3 Å²	42.3	40%	0.396	20%	0.204	S	C	.	.	H	α-helix	trans	-59.3	-40.3	175.6	-88.4	-70.6	0	0	0	112.5	V268 I269 G274 I275 P276 T331	V268-Y272 HydrophobicContact CG1-CD2 3.62Å; V268-Y272 HydrophobicContact CG1-CE2 3.52Å; V268-Y272 WeakPolarHBondContact O-CD2 3.35Å; V268-Y272 PolarHBondContact O-N 3.37Å; I269-Y272 PolarHBondContact O-N 2.92Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.13Å; Y272-I275 HydrophobicContact CD1-CD1 3.75Å; Y272-I275 HydrophobicContact CE1-CD1 4.18Å; Y272-I275 HydrophobicContact CG-CD1 4.43Å; Y272-I275 PolarHBondContact O-N 2.57Å; Y272-P276 WeakPolarHBondContact O-CD 3.18Å; Y272-T331 HydrophobicContact CE2-CG2 4.42Å
273	F	50.3	Low	48.8	Very low	65 Å²	65	44.1 Å²	44.1	29%	0.285	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-31.7	173.6	-76.3	-64.1	0	0	0	113	F244 I269 M270 G271 P276 Y277	F244-F273 HydrophobicContact CD1-CB 3.99Å; F244-F273 HydrophobicContact CE1-CB 3.59Å; F244-F273 HydrophobicContact CE1-CG 4.26Å; F244-F273 HydrophobicContact CZ-CB 3.91Å; I269-F273 HydrophobicContact CG2-CD2 3.74Å; I269-F273 HydrophobicContact CG2-CE2 3.38Å; I269-F273 WeakPolarHBondContact O-CD2 3.47Å; I269-F273 PolarHBondContact O-N 2.93Å; M270-F273 PolarHBondContact O-N 2.88Å; G271-F273 VanDerWaalsContact C-N 3.33Å; G271-F273 PolarHBondContact O-N 3.32Å; F273-P276 WeakPolarHBondContact O-CD 3.3Å; F273-Y277 WeakPolarHBondContact O-CD2 3.42Å; F273-Y277 WeakPolarHBondContact O-CE2 3.04Å
274	G	46.3	Very low	48.5	Very low	5 Å²	5	45.4 Å²	45.4	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-72	-29	175.7	0	0	0	0	0	114	M270 G271 Y272 Y277 C278	M270-G274 PolarHBondContact O-N 3.09Å; G271-G274 WeakPolarHBondContact O-CA 3.23Å; G271-G274 PolarHBondContact O-N 2.67Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.13Å; G274-Y277 PolarHBondContact O-N 3.36Å; G274-C278 PolarHBondContact O-N 2.87Å; G274-C278 PolarHBondContact O-SG 2.83Å
275	I	48.5	Very low	48	Very low	48 Å²	48	46.8 Å²	46.8	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-52.2	-50.8	-172.1	-62.2	179.2	0	0	0	112.8	G271 Y272 Y277 C278 F279 I324	G271-I275 WeakPolarHBondContact O-CG1 3.29Å; G271-I275 PolarHBondContact O-N 3.38Å; G271-I275 VanDerWaalsContact O-N 3.17Å; Y272-I275 HydrophobicContact CD1-CD1 3.75Å; Y272-I275 HydrophobicContact CE1-CD1 4.18Å; Y272-I275 HydrophobicContact CG-CD1 4.43Å; Y272-I275 PolarHBondContact O-N 2.57Å; I275-Y277 VanDerWaalsContact C-N 3.3Å; I275-Y277 PolarHBondContact O-N 2.61Å; I275-C278 WeakPolarHBondContact O-CB 3.46Å; I275-C278 PolarHBondContact O-N 2.95Å; I275-F279 HydrophobicContact CG2-CD2 3.6Å; I275-F279 HydrophobicContact CG2-CE2 3.5Å; I275-F279 VanDerWaalsContact CG2-CE2 3.5Å; I275-F279 VanDerWaalsContact O-CD2 3.22Å; I275-F279 WeakPolarHBondContact O-CD2 3.28Å; I275-F279 PolarHBondContact O-N 3.47Å; I275-F279 VanDerWaalsContact O-N 3.09Å; I275-I324 HydrophobicContact CG1-CG1 4.33Å
276	P	46.8	Very low	47.7	Very low	75 Å²	75	50.4 Å²	50.4	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-38.2	178.7	-23.5	35	0	0	0	113.2	Y272 F273 F279 R280	Y272-P276 WeakPolarHBondContact O-CD 3.18Å; F273-P276 WeakPolarHBondContact O-CD 3.3Å; P276-F279 PolarHBondContact O-N 3.09Å; P276-R280 PolarHBondContact O-N 3.33Å
277	Y	50.7	Low	47.2	Very low	82 Å²	82	51.2 Å²	51.2	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-73.4	-37.1	178.9	-60	-78.2	0	0	0	112.4	P240 F244 F273 G274 I275 F279 R280 D281	P240-Y277 HydrophobicContact CG-CD1 4.25Å; P240-Y277 HydrophobicContact CG-CE1 3.77Å; P240-Y277 HydrophobicContact CG-CE2 4.08Å; F244-Y277 HydrophobicContact CD2-CD2 4.27Å; F244-Y277 HydrophobicContact CD2-CE2 4.37Å; F244-Y277 HydrophobicContact CE2-CD2 4.15Å; F244-Y277 AromaticContact CE2-CE2 3.79Å; F244-Y277 HydrophobicContact CE2-CE2 3.79Å; F273-Y277 WeakPolarHBondContact O-CD2 3.42Å; F273-Y277 WeakPolarHBondContact O-CE2 3.04Å; G274-Y277 PolarHBondContact O-N 3.36Å; I275-Y277 VanDerWaalsContact C-N 3.3Å; I275-Y277 PolarHBondContact O-N 2.61Å; Y277-F279 VanDerWaalsContact C-N 3.3Å; Y277-F279 PolarHBondContact O-N 3.29Å; Y277-R280 WeakPolarHBondContact O-CB 3.22Å; Y277-R280 PolarHBondContact O-N 3.33Å; Y277-D281 PolarHBondContact O-N 3.17Å
278	C	45.8	Very low	46.7	Very low	7 Å²	7	52.8 Å²	52.8	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-43	173.2	-62.6	0	0	0	0	111.4	L241 G274 I275 D281 A282 A320 I324	L241-C278 VanDerWaalsContact CD1-SG 3.53Å; G274-C278 PolarHBondContact O-N 2.87Å; G274-C278 PolarHBondContact O-SG 2.83Å; I275-C278 WeakPolarHBondContact O-CB 3.46Å; I275-C278 PolarHBondContact O-N 2.95Å; C278-D281 PolarHBondContact O-N 2.82Å; C278-A282 WeakPolarHBondContact O-CB 3.49Å; C278-A282 PolarHBondContact O-N 3.01Å; C278-A320 HydrophobicContact CB-CB 3.71Å; C278-A320 WeakPolarHBondContact SG-CB 3.42Å; C278-I324 HydrophobicContact CB-CD1 3.97Å
279	F	45.4	Very low	46.3	Very low	114 Å²	114	55.1 Å²	55.1	50%	0.5	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-33.6	176.6	-80.4	-70.7	0	0	0	112.4	I275 P276 Y277 Y283 I324	I275-F279 HydrophobicContact CG2-CD2 3.6Å; I275-F279 HydrophobicContact CG2-CE2 3.5Å; I275-F279 VanDerWaalsContact CG2-CE2 3.5Å; I275-F279 VanDerWaalsContact O-CD2 3.22Å; I275-F279 WeakPolarHBondContact O-CD2 3.28Å; I275-F279 PolarHBondContact O-N 3.47Å; I275-F279 VanDerWaalsContact O-N 3.09Å; P276-F279 PolarHBondContact O-N 3.09Å; Y277-F279 VanDerWaalsContact C-N 3.3Å; Y277-F279 PolarHBondContact O-N 3.29Å; F279-Y283 WeakPolarHBondContact O-CB 3.46Å; F279-Y283 PolarHBondContact O-N 3.46Å; F279-I324 HydrophobicContact CE2-CD1 4.45Å
280	R	48	Very low	45.7	Very low	129 Å²	129	56.3 Å²	56.3	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-43.2	171.1	179	-176.9	170.5	-178	-2.4	112.2	P276 Y277 Y283 L284	P276-R280 PolarHBondContact O-N 3.33Å; Y277-R280 WeakPolarHBondContact O-CB 3.22Å; Y277-R280 PolarHBondContact O-N 3.33Å; R280-Y283 WeakPolarHBondContact O-CB 3.27Å; R280-Y283 PolarHBondContact O-N 3.21Å; R280-L284 WeakPolarHBondContact O-CG 3.34Å; R280-L284 PolarHBondContact O-N 2.81Å
281	D	45.4	Very low	45.1	Very low	5 Å²	5	56.6 Å²	56.6	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-74.3	-37.6	179	-81.3	7.2	0	0	0	112.2	L241 Y277 C278 Y283 L284 F285 H313	L241-D281 HydrophobicContact CD2-CB 4.38Å; L241-D281 WeakPolarHBondContact CD2-OD2 3.45Å; Y277-D281 PolarHBondContact O-N 3.17Å; C278-D281 PolarHBondContact O-N 2.82Å; D281-Y283 PolarHBondContact O-N 3.43Å; D281-L284 PolarHBondContact O-N 3.04Å; D281-F285 WeakPolarHBondContact O-CB 3.27Å; D281-F285 PolarHBondContact O-N 3.4Å; D281-H313 IonicContact OD2-ND1 3.98Å
282	A	40.9	Very low	44.5	Very low	9 Å²	9	62.6 Å²	62.6	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-39.2	168.7	0	0	0	0	0	111.7	C278 F285 I286 F317	C278-A282 WeakPolarHBondContact O-CB 3.49Å; C278-A282 PolarHBondContact O-N 3.01Å; A282-F285 WeakPolarHBondContact O-CB 3.42Å; A282-F285 PolarHBondContact O-N 2.84Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.49Å; A282-I286 PolarHBondContact O-N 2.91Å; A282-F317 HydrophobicContact CB-CD2 3.52Å; A282-F317 HydrophobicContact CB-CE2 3.22Å; A282-F317 HydrophobicContact CB-CZ 4.2Å
283	Y	41.9	Very low	43.9	Very low	66 Å²	66	65.7 Å²	65.7	26%	0.259	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-47.5	178.8	173.7	-108.3	0	0	0	111.7	V69 F279 R280 D281 F285 I286 F287	V69-Y283 HydrophobicContact CB-CE2 4.07Å; V69-Y283 HydrophobicContact CG1-CD2 3.99Å; V69-Y283 HydrophobicContact CG1-CE2 3.41Å; V69-Y283 VanDerWaalsContact CG1-CE2 3.41Å; V69-Y283 HydrophobicContact CG2-CD2 3.82Å; V69-Y283 HydrophobicContact CG2-CE2 3.81Å; F279-Y283 WeakPolarHBondContact O-CB 3.46Å; F279-Y283 PolarHBondContact O-N 3.46Å; R280-Y283 WeakPolarHBondContact O-CB 3.27Å; R280-Y283 PolarHBondContact O-N 3.21Å; D281-Y283 PolarHBondContact O-N 3.43Å; Y283-F285 PolarHBondContact O-N 3.41Å; Y283-I286 PolarHBondContact O-N 3.43Å; Y283-F287 HydrophobicContact CE2-CD2 4.33Å; Y283-F287 VanDerWaalsContact O-CB 3.3Å; Y283-F287 WeakPolarHBondContact O-CB 3.19Å; Y283-F287 PolarHBondContact O-N 3.23Å
284	L	45.4	Very low	43.1	Very low	57 Å²	57	70 Å²	70	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-36.7	173	-71.7	170.6	0	0	0	111.9	R280 D281 H288 L305	R280-L284 WeakPolarHBondContact O-CG 3.34Å; R280-L284 PolarHBondContact O-N 2.81Å; D281-L284 PolarHBondContact O-N 3.04Å; L284-H288 WeakPolarHBondContact O-CB 3.2Å; L284-H288 PolarHBondContact O-N 2.86Å; L284-L305 HydrophobicContact CB-CD1 4.32Å; L284-L305 HydrophobicContact CD2-CD1 4.43Å
285	F	40.9	Very low	42.3	Very low	41 Å²	41	75.7 Å²	75.7	18%	0.18	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-52.3	177.1	177.2	-107	0	0	0	113.4	D281 A282 Y283 F287 H288 V289 L310 M314	D281-F285 WeakPolarHBondContact O-CB 3.27Å; D281-F285 PolarHBondContact O-N 3.4Å; A282-F285 WeakPolarHBondContact O-CB 3.42Å; A282-F285 PolarHBondContact O-N 2.84Å; Y283-F285 PolarHBondContact O-N 3.41Å; F285-F287 PolarHBondContact O-N 3.43Å; F285-H288 PolarHBondContact O-N 3.23Å; F285-H288 VanDerWaalsContact O-N 3.15Å; F285-V289 HydrophobicContact CD2-CG2 4.23Å; F285-V289 HydrophobicContact CE1-CG2 4.13Å; F285-V289 HydrophobicContact CE2-CG2 3.66Å; F285-V289 HydrophobicContact CZ-CG2 3.61Å; F285-V289 WeakPolarHBondContact O-CG2 3.3Å; F285-V289 PolarHBondContact O-N 3Å; F285-L310 HydrophobicContact CD2-CD1 4.12Å; F285-L310 HydrophobicContact CE2-CD1 4.39Å; F285-M314 HydrophobicContact CD2-CE 4.46Å; F285-M314 HydrophobicContact CD2-CG 3.89Å; F285-M314 HydrophobicContact CE2-CE 3.27Å; F285-M314 HydrophobicContact CE2-CG 3.44Å; F285-M314 VanDerWaalsContact CE2-CG 3.44Å; F285-M314 HydrophobicContact CE2-SD 4.12Å; F285-M314 HydrophobicContact CZ-CE 3.58Å; F285-M314 HydrophobicContact CZ-CG 4.12Å
286	I	41.4	Very low	41.6	Very low	109 Å²	109	77.6 Å²	77.6	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-62.2	-36.7	178.7	-68.1	166.5	0	0	0	110.4	A282 Y283 S290	A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.49Å; A282-I286 PolarHBondContact O-N 2.91Å; Y283-I286 PolarHBondContact O-N 3.43Å; I286-S290 WeakPolarHBondContact O-CB 3.45Å; I286-S290 PolarHBondContact O-N 3.18Å; I286-S290 PolarHBondContact O-OG 3.43Å
287	F	41.6	Very low	41	Very low	54 Å²	54	83.4 Å²	83.4	24%	0.237	42%	0.42	C	S	.	.	H	α-helix	trans	-68.9	-35.5	177.1	-148.6	-86.2	0	0	0	112.2	Y283 F285 S290 T291 V298 V300	Y283-F287 HydrophobicContact CE2-CD2 4.33Å; Y283-F287 VanDerWaalsContact O-CB 3.3Å; Y283-F287 WeakPolarHBondContact O-CB 3.19Å; Y283-F287 PolarHBondContact O-N 3.23Å; F285-F287 PolarHBondContact O-N 3.43Å; F287-S290 WeakPolarHBondContact CA-OG 3.46Å; F287-S290 PolarHBondContact O-OG 2.62Å; F287-S290 VanDerWaalsContact O-OG 3.07Å; F287-T291 HydrophobicContact CD1-CG2 4.11Å; F287-T291 HydrophobicContact CE1-CG2 4.04Å; F287-T291 WeakPolarHBondContact O-CB 3.09Å; F287-T291 WeakPolarHBondContact O-CG2 2.87Å; F287-T291 PolarHBondContact O-N 2.81Å; F287-T291 PolarHBondContact O-OG1 3.43Å; F287-V298 HydrophobicContact CE1-CB 4.25Å; F287-V298 HydrophobicContact CE1-CG1 3.81Å; F287-V298 HydrophobicContact CZ-CG1 3.96Å; F287-V298 HydrophobicContact CZ-CG2 4.36Å; F287-V300 HydrophobicContact CD1-CG2 3.96Å; F287-V300 HydrophobicContact CE1-CG2 3.66Å
288	H	42.5	Very low	40.2	Very low	36 Å²	36	83.1 Å²	83.1	17%	0.167	43%	0.426	C	S	.	.	H	α-helix	trans	-72	-42.1	176	-163.3	59.8	0	0	0	112.6	L284 F285 S290 T291 L292 L305	L284-H288 WeakPolarHBondContact O-CB 3.2Å; L284-H288 PolarHBondContact O-N 2.86Å; F285-H288 PolarHBondContact O-N 3.23Å; F285-H288 VanDerWaalsContact O-N 3.15Å; H288-S290 VanDerWaalsContact C-N 3.32Å; H288-S290 PolarHBondContact O-N 3.07Å; H288-T291 WeakPolarHBondContact CA-OG1 3.49Å; H288-T291 PolarHBondContact O-N 3.32Å; H288-T291 PolarHBondContact O-OG1 3.4Å; H288-T291 VanDerWaalsContact O-OG1 3.04Å; H288-L292 PolarHBondContact O-N 3.45Å; H288-L305 PolarHBondContact NE2-O 3Å
289	V	43.3	Very low	39.6	Very low	66 Å²	66	90.8 Å²	90.8	40%	0.4	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-35.5	175.5	175.2	0	0	0	0	111.5	F285 M293	F285-V289 HydrophobicContact CD2-CG2 4.23Å; F285-V289 HydrophobicContact CE1-CG2 4.13Å; F285-V289 HydrophobicContact CE2-CG2 3.66Å; F285-V289 HydrophobicContact CZ-CG2 3.61Å; F285-V289 WeakPolarHBondContact O-CG2 3.3Å; F285-V289 PolarHBondContact O-N 3Å; V289-M293 PolarHBondContact O-N 2.9Å
290	S	38.6	Very low	39.3	Very low	60 Å²	60	88.4 Å²	88.4	42%	0.42	46%	0.462	S	S	.	.	H	α-helix	trans	-75.5	-31.1	176.3	54.8	0	0	0	0	113.7	I286 F287 H288 M293 K294	I286-S290 WeakPolarHBondContact O-CB 3.45Å; I286-S290 PolarHBondContact O-N 3.18Å; I286-S290 PolarHBondContact O-OG 3.43Å; F287-S290 WeakPolarHBondContact CA-OG 3.46Å; F287-S290 PolarHBondContact O-OG 2.62Å; F287-S290 VanDerWaalsContact O-OG 3.07Å; H288-S290 VanDerWaalsContact C-N 3.32Å; H288-S290 PolarHBondContact O-N 3.07Å; S290-M293 PolarHBondContact O-N 3.3Å; S290-K294 PolarHBondContact O-N 3.19Å
291	T	39.2	Very low	39	Very low	53 Å²	53	86.5 Å²	86.5	33%	0.325	47%	0.466	S	S	.	.	H	α-helix	trans	-74.4	-30.4	173.3	41.7	0	0	0	0	113.1	F287 H288 M293 K294	F287-T291 HydrophobicContact CD1-CG2 4.11Å; F287-T291 HydrophobicContact CE1-CG2 4.04Å; F287-T291 WeakPolarHBondContact O-CB 3.09Å; F287-T291 WeakPolarHBondContact O-CG2 2.87Å; F287-T291 PolarHBondContact O-N 2.81Å; F287-T291 PolarHBondContact O-OG1 3.43Å; H288-T291 WeakPolarHBondContact CA-OG1 3.49Å; H288-T291 PolarHBondContact O-N 3.32Å; H288-T291 PolarHBondContact O-OG1 3.4Å; H288-T291 VanDerWaalsContact O-OG1 3.04Å; T291-M293 PolarHBondContact O-N 2.89Å; T291-K294 PolarHBondContact O-N 2.83Å
292	L	41.3	Very low	38.6	Very low	133 Å²	133	89.8 Å²	89.8	70%	0.696	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.1	169.9	-116.6	135.4	0	0	0	113.2	H288	H288-L292 PolarHBondContact O-N 3.45Å
293	M	38.5	Very low	38.4	Very low	165 Å²	165	94 Å²	94	81%	0.813	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-10	178.6	-81.2	-158.3	150.4	0	0	115.3	V289 S290 T291	V289-M293 PolarHBondContact O-N 2.9Å; S290-M293 PolarHBondContact O-N 3.3Å; T291-M293 PolarHBondContact O-N 2.89Å
294	K	33.1	Very low	38.5	Very low	155 Å²	155	97.9 Å²	97.9	67%	0.674	54%	0.537	S	S	*	.			trans	-147.7	116.3	174.7	-92.2	-179	178.5	174.7	0	112.2	S290 T291 T296	S290-K294 PolarHBondContact O-N 3.19Å; T291-K294 PolarHBondContact O-N 2.83Å; K294-T296 PolarHBondContact O-N 3.08Å
295	S	29.8	Very low	38.4	Very low	126 Å²	126	96.2 Å²	96.2	88%	0.881	53%	0.528	S	S	*	.			trans	-65.6	74	167	63	0	0	0	0	111.1
296	T	32.9	Very low	38.5	Very low	87 Å²	87	98.6 Å²	98.6	53%	0.534	55%	0.546	S	S	.	.			trans	-146.2	99.6	174.8	48	0	0	0	0	111.7	K294 V298	K294-T296 PolarHBondContact O-N 3.08Å; T296-V298 PolarHBondContact O-N 2.77Å; T296-V298 VanDerWaalsContact O-N 3.08Å
297	H	33.5	Very low	39	Very low	197 Å²	197	95.6 Å²	95.6	91%	0.912	54%	0.542	S	S	*	.			trans	60.8	12.7	142.3	-67.8	-71	0	0	0	122.6
298	V	35.4	Very low	38.9	Very low	76 Å²	76	97.9 Å²	97.9	46%	0.461	56%	0.563	S	S	.	*			trans	-102.8	104.5	171.8	-163.7	0	0	0	0	111.4	F287 T296 V300	F287-V298 HydrophobicContact CE1-CB 4.25Å; F287-V298 HydrophobicContact CE1-CG1 3.81Å; F287-V298 HydrophobicContact CZ-CG1 3.96Å; F287-V298 HydrophobicContact CZ-CG2 4.36Å; T296-V298 PolarHBondContact O-N 2.77Å; T296-V298 VanDerWaalsContact O-N 3.08Å; V298-V300 HydrophobicContact CG1-CG2 3.8Å; V298-V300 PolarHBondContact O-N 2.99Å
299	N	32.1	Very low	39	Very low	169 Å²	169	100.3 Å²	100.3	90%	0.904	58%	0.577	S	S	*	*			trans	-72.4	74.7	167.2	-85.4	-14.2	0	0	0	109.8
300	V	40.5	Very low	39	Very low	64 Å²	64	98.9 Å²	98.9	39%	0.388	57%	0.567	S	S	.	*			trans	-77.9	135.1	156	-176.1	0	0	0	0	106.1	F287 V298 A302	F287-V300 HydrophobicContact CD1-CG2 3.96Å; F287-V300 HydrophobicContact CE1-CG2 3.66Å; V298-V300 HydrophobicContact CG1-CG2 3.8Å; V298-V300 PolarHBondContact O-N 2.99Å; V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.72Å
301	P	41.5	Very low	39.3	Very low	89 Å²	89	100.6 Å²	100.6	58%	0.578	58%	0.575	S	S	*	*			trans	-57.9	93.7	174.7	20.5	-30.1	0	0	0	110.2	S303 R304	P301-S303 PolarHBondContact O-N 3.11Å; P301-R304 PolarHBondContact O-N 3.38Å
302	A	36.1	Very low	39.5	Very low	74 Å²	74	101.7 Å²	101.7	61%	0.612	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	2.5	-173.9	0	0	0	0	0	113.5	V300 R304 T306	V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.72Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-T306 WeakPolarHBondContact O-CG2 3.33Å
303	S	37.3	Very low	39.7	Very low	97 Å²	97	97.5 Å²	97.5	68%	0.678	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-12.2	175.7	56.8	0	0	0	0	113.9	P301	P301-S303 PolarHBondContact O-N 3.11Å
304	R	42.7	Very low	40	Very low	147 Å²	147	93.2 Å²	93.2	56%	0.555	54%	0.537	S	S	*	.	S	Bend	trans	-100.1	-10.6	-172.8	-66.6	-172.7	176.7	-156.2	-7.5	116	D237 P301 A302	D237-R304 IonicContact OD1-NH1 3.35Å; D237-R304 IonicContact OD2-CZ 3.17Å; D237-R304 IonicContact OD2-NH1 3.63Å; D237-R304 PolarHBondContact OD2-NH1 3.38Å; D237-R304 IonicContact OD2-NH2 2.91Å; D237-R304 PolarHBondContact OD2-NH2 3.36Å; P301-R304 PolarHBondContact O-N 3.38Å; A302-R304 VanDerWaalsContact C-N 3.34Å
305	L	44.6	Very low	40.6	Very low	22 Å²	22	90.9 Å²	90.9	12%	0.115	53%	0.531	C	S	.	.	S	Bend	trans	-134.6	22.7	-170.3	-79.6	162.8	0	0	0	114.8	L284 H288	L284-L305 HydrophobicContact CB-CD1 4.32Å; L284-L305 HydrophobicContact CD2-CD1 4.43Å; H288-L305 PolarHBondContact NE2-O 3Å
306	T	42.2	Very low	41.4	Very low	91 Å²	91	86.3 Å²	86.3	56%	0.558	50%	0.497	S	S	*	.	S	Bend	trans	-97	136.7	177.3	47.7	0	0	0	0	112.2	A302	A302-T306 WeakPolarHBondContact O-CG2 3.33Å
307	G	52.3	Low	42	Very low	47 Å²	47	84.4 Å²	84.4	49%	0.485	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-138.9	171.8	0	0	0	0	0	115.6	N309 L310	G307-N309 PolarHBondContact O-N 3.22Å; G307-L310 WeakPolarHBondContact O-CB 3.18Å; G307-L310 PolarHBondContact O-N 3.46Å
308	P	40.2	Very low	42.8	Very low	102 Å²	102	80 Å²	80	66%	0.662	46%	0.464	S	S	*	.	H	α-helix	trans	-57.5	-23.8	-173.5	19.4	-29.8	0	0	0	114.3	L310 T311 V312	P308-L310 VanDerWaalsContact C-N 3.33Å; P308-L310 PolarHBondContact O-N 2.86Å; P308-T311 WeakPolarHBondContact O-CB 3.46Å; P308-T311 PolarHBondContact O-N 3.02Å; P308-V312 WeakPolarHBondContact O-CG2 3.39Å; P308-V312 PolarHBondContact O-N 2.86Å; P308-V312 VanDerWaalsContact O-N 3.12Å
309	N	43.9	Very low	43.3	Very low	87 Å²	87	80 Å²	80	47%	0.465	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-34.1	174.4	-75.5	-10.1	0	0	0	113.2	G307 T311 V312 H313	G307-N309 PolarHBondContact O-N 3.22Å; N309-T311 VanDerWaalsContact C-N 3.31Å; N309-T311 PolarHBondContact O-N 3.48Å; N309-V312 PolarHBondContact O-N 3.41Å; N309-H313 PolarHBondContact O-CD2 2.85Å; N309-H313 PolarHBondContact O-N 2.89Å
310	L	43.7	Very low	44.1	Very low	35 Å²	35	72 Å²	72	18%	0.183	42%	0.418	C	S	.	.	H	α-helix	trans	-65.9	-36.9	175.3	-176.5	65.7	0	0	0	111.3	F285 G307 P308 H313 M314	F285-L310 HydrophobicContact CD2-CD1 4.12Å; F285-L310 HydrophobicContact CE2-CD1 4.39Å; G307-L310 WeakPolarHBondContact O-CB 3.18Å; G307-L310 PolarHBondContact O-N 3.46Å; P308-L310 VanDerWaalsContact C-N 3.33Å; P308-L310 PolarHBondContact O-N 2.86Å; L310-H313 PolarHBondContact O-N 2.98Å; L310-M314 WeakPolarHBondContact O-CB 3.34Å; L310-M314 WeakPolarHBondContact O-CG 3.19Å; L310-M314 PolarHBondContact O-N 3.33Å
311	T	44.3	Very low	44.5	Very low	96 Å²	96	72.6 Å²	72.6	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-67.9	-39.8	177.6	-50	0	0	0	0	110.6	P308 N309 M314 L315	P308-T311 WeakPolarHBondContact O-CB 3.46Å; P308-T311 PolarHBondContact O-N 3.02Å; N309-T311 VanDerWaalsContact C-N 3.31Å; N309-T311 PolarHBondContact O-N 3.48Å; T311-M314 PolarHBondContact O-N 3.23Å; T311-L315 VanDerWaalsContact O-CB 3.31Å; T311-L315 WeakPolarHBondContact O-CB 3.45Å; T311-L315 PolarHBondContact O-N 2.91Å
312	V	43.6	Very low	44.7	Very low	76 Å²	76	72.2 Å²	72.2	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-45.2	174.4	175.4	0	0	0	0	111	P308 N309 L315 L316	P308-V312 WeakPolarHBondContact O-CG2 3.39Å; P308-V312 PolarHBondContact O-N 2.86Å; P308-V312 VanDerWaalsContact O-N 3.12Å; N309-V312 PolarHBondContact O-N 3.41Å; V312-L315 PolarHBondContact O-N 3.25Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.36Å; V312-L316 WeakPolarHBondContact O-CB 3.33Å; V312-L316 VanDerWaalsContact O-CG 3.25Å; V312-L316 WeakPolarHBondContact O-CG 3.37Å; V312-L316 PolarHBondContact O-N 2.98Å
313	H	46.1	Very low	45.3	Very low	45 Å²	45	70.4 Å²	70.4	21%	0.208	39%	0.394	C	S	.	.	H	α-helix	trans	-66.7	-37.5	175.8	-77.9	-68.2	0	0	0	113	D281 N309 L310 L316 F317	D281-H313 IonicContact OD2-ND1 3.98Å; N309-H313 PolarHBondContact O-CD2 2.85Å; N309-H313 PolarHBondContact O-N 2.89Å; L310-H313 PolarHBondContact O-N 2.98Å; H313-L316 PolarHBondContact O-N 3.47Å; H313-F317 VanDerWaalsContact O-CB 3.23Å; H313-F317 WeakPolarHBondContact O-CB 2.93Å; H313-F317 PolarHBondContact O-N 3.19Å
314	M	43.4	Very low	45.7	Very low	75 Å²	75	68 Å²	68	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-42.8	171.8	-81.7	-174.2	169.5	0	0	111.8	F285 L310 T311 F317 L318	F285-M314 HydrophobicContact CD2-CE 4.46Å; F285-M314 HydrophobicContact CD2-CG 3.89Å; F285-M314 HydrophobicContact CE2-CE 3.27Å; F285-M314 HydrophobicContact CE2-CG 3.44Å; F285-M314 VanDerWaalsContact CE2-CG 3.44Å; F285-M314 HydrophobicContact CE2-SD 4.12Å; F285-M314 HydrophobicContact CZ-CE 3.58Å; F285-M314 HydrophobicContact CZ-CG 4.12Å; L310-M314 WeakPolarHBondContact O-CB 3.34Å; L310-M314 WeakPolarHBondContact O-CG 3.19Å; L310-M314 PolarHBondContact O-N 3.33Å; T311-M314 PolarHBondContact O-N 3.23Å; M314-F317 PolarHBondContact O-N 3.13Å; M314-L318 WeakPolarHBondContact O-CG 3.41Å; M314-L318 PolarHBondContact O-N 3.12Å
315	L	46.5	Very low	45.9	Very low	106 Å²	106	65.1 Å²	65.1	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-65.6	-45.5	177.1	-173.3	72.5	0	0	0	111	T311 V312 F317 L318 L319	T311-L315 VanDerWaalsContact O-CB 3.31Å; T311-L315 WeakPolarHBondContact O-CB 3.45Å; T311-L315 PolarHBondContact O-N 2.91Å; V312-L315 PolarHBondContact O-N 3.25Å; L315-F317 VanDerWaalsContact C-N 3.3Å; L315-F317 PolarHBondContact O-N 3.42Å; L315-L318 PolarHBondContact O-N 3.25Å; L315-L319 HydrophobicContact CG-CD1 4.12Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 2.9Å
316	L	45.7	Very low	45.9	Very low	30 Å²	30	67.1 Å²	67.1	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-37.5	174.9	-73.1	171.2	0	0	0	111.6	P242 I245 V312 H313 A320	P242-L316 HydrophobicContact CG-CD2 4.44Å; I245-L316 HydrophobicContact CD1-CD2 4.43Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.36Å; V312-L316 WeakPolarHBondContact O-CB 3.33Å; V312-L316 VanDerWaalsContact O-CG 3.25Å; V312-L316 WeakPolarHBondContact O-CG 3.37Å; V312-L316 PolarHBondContact O-N 2.98Å; H313-L316 PolarHBondContact O-N 3.47Å; L316-A320 WeakPolarHBondContact O-CB 3.33Å; L316-A320 PolarHBondContact O-N 2.75Å
317	F	46.6	Very low	46	Very low	48 Å²	48	63.3 Å²	63.3	21%	0.211	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-45.6	175.3	172.3	-108	0	0	0	112.6	A282 H313 M314 L315 L319 A320 L321	A282-F317 HydrophobicContact CB-CD2 3.52Å; A282-F317 HydrophobicContact CB-CE2 3.22Å; A282-F317 HydrophobicContact CB-CZ 4.2Å; H313-F317 VanDerWaalsContact O-CB 3.23Å; H313-F317 WeakPolarHBondContact O-CB 2.93Å; H313-F317 PolarHBondContact O-N 3.19Å; M314-F317 PolarHBondContact O-N 3.13Å; L315-F317 VanDerWaalsContact C-N 3.3Å; L315-F317 PolarHBondContact O-N 3.42Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-A320 WeakPolarHBondContact O-CB 3.11Å; F317-A320 PolarHBondContact O-N 2.96Å; F317-L321 HydrophobicContact CE2-CD1 4.31Å; F317-L321 HydrophobicContact CZ-CD1 4.02Å; F317-L321 WeakPolarHBondContact O-CB 3.23Å; F317-L321 PolarHBondContact O-N 3.43Å
318	L	49.2	Very low	45.6	Very low	104 Å²	104	65.9 Å²	65.9	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-40.3	175.7	-74.6	169.2	0	0	0	111.5	M314 L315 L321 T322	M314-L318 WeakPolarHBondContact O-CG 3.41Å; M314-L318 PolarHBondContact O-N 3.12Å; L315-L318 PolarHBondContact O-N 3.25Å; L318-L321 PolarHBondContact O-N 3.43Å; L318-T322 WeakPolarHBondContact O-CB 3.46Å; L318-T322 PolarHBondContact O-N 3.32Å; L318-T322 PolarHBondContact O-OG1 2.92Å
319	L	47.2	Very low	45.8	Very low	75 Å²	75	67.5 Å²	67.5	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-45.8	172.5	-76.6	167	0	0	0	110.9	I245 L315 F317 T322 Q323	I245-L319 HydrophobicContact CD1-CB 4.47Å; L315-L319 HydrophobicContact CG-CD1 4.12Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 2.9Å; F317-L319 VanDerWaalsContact C-N 3.34Å; L319-T322 CarbonylContact O-C 3.51Å; L319-T322 PolarHBondContact O-N 2.8Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.37Å
320	A	47.6	Very low	45.7	Very low	1 Å²	1	63.7 Å²	63.7	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-44.3	176.3	0	0	0	0	0	113.3	I245 C278 L316 F317 Q323 I324	I245-A320 HydrophobicContact CD1-CB 4.37Å; C278-A320 HydrophobicContact CB-CB 3.71Å; C278-A320 WeakPolarHBondContact SG-CB 3.42Å; L316-A320 WeakPolarHBondContact O-CB 3.33Å; L316-A320 PolarHBondContact O-N 2.75Å; F317-A320 WeakPolarHBondContact O-CB 3.11Å; F317-A320 PolarHBondContact O-N 2.96Å; A320-Q323 CarbonylContact O-C 3.47Å; A320-Q323 WeakPolarHBondContact O-CA 3.46Å; A320-Q323 VanDerWaalsContact O-CB 3.23Å; A320-Q323 WeakPolarHBondContact O-CB 3.3Å; A320-Q323 PolarHBondContact O-N 2.91Å; A320-I324 VanDerWaalsContact O-CG1 3.3Å; A320-I324 WeakPolarHBondContact O-CG1 3.48Å; A320-I324 PolarHBondContact O-N 3.07Å
321	L	49.7	Very low	45.7	Very low	78 Å²	78	62.7 Å²	62.7	41%	0.408	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-42.1	177.6	-162.4	106.6	0	0	0	110.9	F317 L318 Q323 I324 I325	F317-L321 HydrophobicContact CE2-CD1 4.31Å; F317-L321 HydrophobicContact CZ-CD1 4.02Å; F317-L321 WeakPolarHBondContact O-CB 3.23Å; F317-L321 PolarHBondContact O-N 3.43Å; L318-L321 PolarHBondContact O-N 3.43Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 2.91Å; L321-I324 PolarHBondContact O-N 3.35Å; L321-I325 HydrophobicContact CD2-CD1 4.1Å; L321-I325 HydrophobicContact CG-CD1 4.48Å; L321-I325 WeakPolarHBondContact O-CG1 3.43Å; L321-I325 PolarHBondContact O-N 2.75Å
322	T	46.3	Very low	45.6	Very low	80 Å²	80	62.1 Å²	62.1	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-42.2	172	-50.5	0	0	0	0	109.8	L318 L319 I324 I325 T326	L318-T322 WeakPolarHBondContact O-CB 3.46Å; L318-T322 PolarHBondContact O-N 3.32Å; L318-T322 PolarHBondContact O-OG1 2.92Å; L319-T322 CarbonylContact O-C 3.51Å; L319-T322 PolarHBondContact O-N 2.8Å; T322-I324 PolarHBondContact O-N 3.16Å; T322-I325 PolarHBondContact O-N 2.94Å; T322-T326 VanDerWaalsContact O-CB 3.28Å; T322-T326 WeakPolarHBondContact O-CB 2.95Å; T322-T326 PolarHBondContact O-N 3.46Å; T322-T326 PolarHBondContact O-OG1 3.34Å
323	Q	47.7	Very low	45.6	Very low	36 Å²	36	66 Å²	66	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-46.5	174.5	-146.8	86.7	-1.1	0	0	110.8	I245 S248 L319 A320 L321 I325 T326 S327	I245-Q323 PolarHBondContact O-NE2 3.48Å; I245-Q323 VanDerWaalsContact O-NE2 3.13Å; S248-Q323 PolarHBondContact OG-NE2 3.29Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.37Å; A320-Q323 CarbonylContact O-C 3.47Å; A320-Q323 WeakPolarHBondContact O-CA 3.46Å; A320-Q323 VanDerWaalsContact O-CB 3.23Å; A320-Q323 WeakPolarHBondContact O-CB 3.3Å; A320-Q323 PolarHBondContact O-N 2.91Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 2.91Å; Q323-I325 PolarHBondContact O-N 3.47Å; Q323-T326 PolarHBondContact O-N 3.3Å; Q323-S327 WeakPolarHBondContact O-CA 3.1Å; Q323-S327 WeakPolarHBondContact O-CB 3.09Å; Q323-S327 PolarHBondContact O-N 3.37Å; Q323-S327 PolarHBondContact O-OG 2.91Å
324	I	47.2	Very low	45.5	Very low	47 Å²	47	64 Å²	64	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-45.9	179.7	-70.7	165.4	0	0	0	110.9	I275 C278 F279 A320 L321 T322 F328	I275-I324 HydrophobicContact CG1-CG1 4.33Å; C278-I324 HydrophobicContact CB-CD1 3.97Å; F279-I324 HydrophobicContact CE2-CD1 4.45Å; A320-I324 VanDerWaalsContact O-CG1 3.3Å; A320-I324 WeakPolarHBondContact O-CG1 3.48Å; A320-I324 PolarHBondContact O-N 3.07Å; L321-I324 PolarHBondContact O-N 3.35Å; T322-I324 PolarHBondContact O-N 3.16Å; I324-F328 VanDerWaalsContact O-CB 3.26Å; I324-F328 WeakPolarHBondContact O-CB 3.48Å; I324-F328 PolarHBondContact O-N 3.39Å
325	I	46.6	Very low	45.4	Very low	86 Å²	86	62.8 Å²	62.8	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-45.7	178.1	-66.2	167.7	0	0	0	110.1	L321 T322 Q323 F328 F329	L321-I325 HydrophobicContact CD2-CD1 4.1Å; L321-I325 HydrophobicContact CG-CD1 4.48Å; L321-I325 WeakPolarHBondContact O-CG1 3.43Å; L321-I325 PolarHBondContact O-N 2.75Å; T322-I325 PolarHBondContact O-N 2.94Å; Q323-I325 PolarHBondContact O-N 3.47Å; I325-F328 WeakPolarHBondContact O-CB 3.45Å; I325-F328 PolarHBondContact O-N 2.95Å; I325-F329 HydrophobicContact CG2-CD2 3.83Å; I325-F329 HydrophobicContact CG2-CE2 3.69Å; I325-F329 WeakPolarHBondContact O-CD2 3.34Å; I325-F329 PolarHBondContact O-N 2.88Å
326	T	44.8	Very low	45.3	Very low	64 Å²	64	64.4 Å²	64.4	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-42.9	180	-42.6	0	0	0	0	110.5	T322 Q323 F328 F329 L330	T322-T326 VanDerWaalsContact O-CB 3.28Å; T322-T326 WeakPolarHBondContact O-CB 2.95Å; T322-T326 PolarHBondContact O-N 3.46Å; T322-T326 PolarHBondContact O-OG1 3.34Å; Q323-T326 PolarHBondContact O-N 3.3Å; T326-F328 VanDerWaalsContact C-N 3.32Å; T326-F328 PolarHBondContact O-N 3.26Å; T326-F329 PolarHBondContact O-N 3Å; T326-L330 HydrophobicContact CG2-CD1 3.85Å; T326-L330 WeakPolarHBondContact O-CA 3.31Å; T326-L330 WeakPolarHBondContact O-CB 3.49Å; T326-L330 WeakPolarHBondContact O-CD1 3.48Å; T326-L330 VanDerWaalsContact O-CG 3.29Å; T326-L330 WeakPolarHBondContact O-CG 3.29Å; T326-L330 PolarHBondContact O-N 3.36Å
327	S	44.4	Very low	45.3	Very low	11 Å²	11	63.8 Å²	63.8	8%	0.077	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-36.7	172	-72.5	0	0	0	0	111.2	Q323 T331	Q323-S327 WeakPolarHBondContact O-CA 3.1Å; Q323-S327 WeakPolarHBondContact O-CB 3.09Å; Q323-S327 PolarHBondContact O-N 3.37Å; Q323-S327 PolarHBondContact O-OG 2.91Å; S327-T331 WeakPolarHBondContact O-CA 3.45Å; S327-T331 WeakPolarHBondContact O-CB 3.18Å; S327-T331 PolarHBondContact O-N 3.44Å; S327-T331 PolarHBondContact O-OG1 2.95Å
328	F	42.3	Very low	45.2	Very low	101 Å²	101	63.3 Å²	63.3	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-48.8	174.8	-177.8	-99.3	0	0	0	111.3	I324 I325 T326 T331 I332	I324-F328 VanDerWaalsContact O-CB 3.26Å; I324-F328 WeakPolarHBondContact O-CB 3.48Å; I324-F328 PolarHBondContact O-N 3.39Å; I325-F328 WeakPolarHBondContact O-CB 3.45Å; I325-F328 PolarHBondContact O-N 2.95Å; T326-F328 VanDerWaalsContact C-N 3.32Å; T326-F328 PolarHBondContact O-N 3.26Å; F328-T331 PolarHBondContact O-N 3.47Å; F328-I332 HydrophobicContact CD1-CD1 3.87Å; F328-I332 HydrophobicContact CE1-CD1 3.44Å; F328-I332 VanDerWaalsContact CE1-CD1 3.44Å; F328-I332 HydrophobicContact CE2-CD1 4.47Å; F328-I332 HydrophobicContact CZ-CD1 3.79Å; F328-I332 WeakPolarHBondContact O-CG1 3.23Å; F328-I332 PolarHBondContact O-N 2.89Å
329	F	44.3	Very low	44.8	Very low	136 Å²	136	59.1 Å²	59.1	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-38.9	175.5	-76.3	-67.4	0	0	0	112.7	I325 T326 I332 R333	I325-F329 HydrophobicContact CG2-CD2 3.83Å; I325-F329 HydrophobicContact CG2-CE2 3.69Å; I325-F329 WeakPolarHBondContact O-CD2 3.34Å; I325-F329 PolarHBondContact O-N 2.88Å; T326-F329 PolarHBondContact O-N 3Å; F329-I332 PolarHBondContact O-N 3.33Å; F329-R333 VanDerWaalsContact O-CB 3.32Å; F329-R333 WeakPolarHBondContact O-CB 3.41Å; F329-R333 PolarHBondContact O-N 2.88Å
330	L	43.3	Very low	44.7	Very low	7 Å²	7	60.9 Å²	60.9	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-43.1	173.2	-88.1	160.2	0	0	0	110.9	A252 F256 L264 T267 T326 R333 T334	A252-L330 HydrophobicContact CB-CD1 4.23Å; F256-L330 HydrophobicContact CD2-CD2 4.4Å; F256-L330 HydrophobicContact CE2-CD1 4.48Å; F256-L330 HydrophobicContact CE2-CD2 3.37Å; F256-L330 HydrophobicContact CE2-CG 4.17Å; F256-L330 HydrophobicContact CZ-CD2 3.46Å; F256-L330 VanDerWaalsContact CZ-CD2 3.46Å; F256-L330 HydrophobicContact CZ-CG 4.33Å; L264-L330 HydrophobicContact CD2-CD2 3.35Å; T267-L330 HydrophobicContact CG2-CD1 3.91Å; T326-L330 HydrophobicContact CG2-CD1 3.85Å; T326-L330 WeakPolarHBondContact O-CA 3.31Å; T326-L330 WeakPolarHBondContact O-CB 3.49Å; T326-L330 WeakPolarHBondContact O-CD1 3.48Å; T326-L330 VanDerWaalsContact O-CG 3.29Å; T326-L330 WeakPolarHBondContact O-CG 3.29Å; T326-L330 PolarHBondContact O-N 3.36Å; L330-R333 PolarHBondContact O-N 3.36Å; L330-T334 WeakPolarHBondContact O-CA 3.39Å; L330-T334 WeakPolarHBondContact O-CB 3.28Å; L330-T334 PolarHBondContact O-N 3Å; L330-T334 PolarHBondContact O-OG1 3.4Å
331	T	42.8	Very low	44.7	Very low	15 Å²	15	62 Å²	62	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-47.6	176	-63.1	0	0	0	0	109.7	V268 Y272 S327 F328 R333 T334 M335	V268-T331 HydrophobicContact CG1-CG2 4.15Å; V268-T331 WeakPolarHBondContact CG1-OG1 3.4Å; V268-T331 WeakPolarHBondContact CG2-OG1 3.33Å; Y272-T331 HydrophobicContact CE2-CG2 4.42Å; S327-T331 WeakPolarHBondContact O-CA 3.45Å; S327-T331 WeakPolarHBondContact O-CB 3.18Å; S327-T331 PolarHBondContact O-N 3.44Å; S327-T331 PolarHBondContact O-OG1 2.95Å; F328-T331 PolarHBondContact O-N 3.47Å; T331-R333 PolarHBondContact O-N 2.96Å; T331-T334 PolarHBondContact O-N 3.36Å; T331-M335 HydrophobicContact CG2-CG 3.88Å; T331-M335 WeakPolarHBondContact O-CB 3.27Å; T331-M335 WeakPolarHBondContact O-CG 3.28Å; T331-M335 PolarHBondContact O-N 3.39Å
332	I	42.4	Very low	44.5	Very low	84 Å²	84	59.5 Å²	59.5	43%	0.431	29%	0.289	S	S	.	.	H	α-helix	trans	-59.1	-47.2	177	-68.4	168.7	0	0	0	111	F328 F329 K336	F328-I332 HydrophobicContact CD1-CD1 3.87Å; F328-I332 HydrophobicContact CE1-CD1 3.44Å; F328-I332 VanDerWaalsContact CE1-CD1 3.44Å; F328-I332 HydrophobicContact CE2-CD1 4.47Å; F328-I332 HydrophobicContact CZ-CD1 3.79Å; F328-I332 WeakPolarHBondContact O-CG1 3.23Å; F328-I332 PolarHBondContact O-N 2.89Å; F329-I332 PolarHBondContact O-N 3.33Å; I332-K336 WeakPolarHBondContact O-CB 3.25Å; I332-K336 PolarHBondContact O-N 3.36Å
333	R	43.3	Very low	44.3	Very low	156 Å²	156	63.9 Å²	63.9	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-47.2	179.3	-169.8	173.7	-178.2	165.9	-0.1	111.3	F329 L330 T331 M335 K336 T337	F329-R333 VanDerWaalsContact O-CB 3.32Å; F329-R333 WeakPolarHBondContact O-CB 3.41Å; F329-R333 PolarHBondContact O-N 2.88Å; L330-R333 PolarHBondContact O-N 3.36Å; T331-R333 PolarHBondContact O-N 2.96Å; R333-M335 VanDerWaalsContact C-N 3.33Å; R333-M335 PolarHBondContact O-N 3.48Å; R333-K336 PolarHBondContact O-N 2.88Å; R333-T337 WeakPolarHBondContact O-CB 3.47Å; R333-T337 PolarHBondContact O-N 3.06Å; R333-T337 PolarHBondContact O-OG1 3.39Å
334	T	43.4	Very low	44	Very low	4 Å²	4	65.6 Å²	65.6	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-34.4	-179.5	-49.5	0	0	0	0	110.8	L264 V265 L330 T331 T337 L338	L264-T334 HydrophobicContact CB-CG2 3.8Å; V265-T334 HydrophobicContact CG2-CG2 3.73Å; L330-T334 WeakPolarHBondContact O-CA 3.39Å; L330-T334 WeakPolarHBondContact O-CB 3.28Å; L330-T334 PolarHBondContact O-N 3Å; L330-T334 PolarHBondContact O-OG1 3.4Å; T331-T334 PolarHBondContact O-N 3.36Å; T334-T337 CarbonylContact O-C 3.54Å; T334-T337 WeakPolarHBondContact O-CB 3.37Å; T334-T337 PolarHBondContact O-N 2.82Å; T334-L338 HydrophobicContact CG2-CD1 4.07Å; T334-L338 WeakPolarHBondContact O-CB 3.43Å; T334-L338 WeakPolarHBondContact O-CD1 3.32Å; T334-L338 WeakPolarHBondContact O-CG 3.39Å; T334-L338 PolarHBondContact O-N 3.46Å
335	M	42.4	Very low	43.9	Very low	49 Å²	49	64 Å²	64	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-73.4	-38.7	174.2	-68.2	-70.4	-80.9	0	0	111.8	L102 T331 R333 T337 L338 A339	L102-M335 HydrophobicContact CD1-CB 4.37Å; L102-M335 HydrophobicContact CD1-CE 3.39Å; T331-M335 HydrophobicContact CG2-CG 3.88Å; T331-M335 WeakPolarHBondContact O-CB 3.27Å; T331-M335 WeakPolarHBondContact O-CG 3.28Å; T331-M335 PolarHBondContact O-N 3.39Å; R333-M335 VanDerWaalsContact C-N 3.33Å; R333-M335 PolarHBondContact O-N 3.48Å; M335-T337 VanDerWaalsContact C-N 3.28Å; M335-T337 PolarHBondContact O-N 3.08Å; M335-L338 HydrophobicContact SD-CD1 4.26Å; M335-A339 WeakPolarHBondContact O-CB 3.35Å; M335-A339 PolarHBondContact O-N 2.82Å
336	K	45.1	Very low	44.1	Very low	140 Å²	140	62.4 Å²	62.4	61%	0.609	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-40	170.4	-174.4	-179.2	179.8	180	0	111.3	I332 R333 M340	I332-K336 WeakPolarHBondContact O-CB 3.25Å; I332-K336 PolarHBondContact O-N 3.36Å; R333-K336 PolarHBondContact O-N 2.88Å; K336-M340 HydrophobicContact CG-CE 4.31Å; K336-M340 WeakPolarHBondContact O-CG 3.27Å; K336-M340 PolarHBondContact O-N 3.4Å; K336-M340 VanDerWaalsContact O-N 3.1Å
337	T	44.6	Very low	44	Very low	17 Å²	17	62.7 Å²	62.7	10%	0.104	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-58	177.2	-57.5	0	0	0	0	108.5	R333 T334 M335 A339 M340 Y341 M494	R333-T337 WeakPolarHBondContact O-CB 3.47Å; R333-T337 PolarHBondContact O-N 3.06Å; R333-T337 PolarHBondContact O-OG1 3.39Å; T334-T337 CarbonylContact O-C 3.54Å; T334-T337 WeakPolarHBondContact O-CB 3.37Å; T334-T337 PolarHBondContact O-N 2.82Å; M335-T337 VanDerWaalsContact C-N 3.28Å; M335-T337 PolarHBondContact O-N 3.08Å; T337-A339 VanDerWaalsContact C-N 3.31Å; T337-A339 PolarHBondContact O-N 2.83Å; T337-M340 CarbonylContact O-C 3.56Å; T337-M340 WeakPolarHBondContact O-CA 3.39Å; T337-M340 WeakPolarHBondContact O-CB 3.23Å; T337-M340 PolarHBondContact O-N 2.89Å; T337-Y341 HydrophobicContact CG2-CD2 3.5Å; T337-Y341 VanDerWaalsContact CG2-CD2 3.5Å; T337-Y341 HydrophobicContact CG2-CE2 3.32Å; T337-Y341 WeakPolarHBondContact O-CD2 3.31Å; T337-Y341 PolarHBondContact O-N 3.31Å; T337-M494 HydrophobicContact CG2-CE 3.35Å
338	L	43.9	Very low	43.9	Very low	38 Å²	38	67.5 Å²	67.5	20%	0.199	32%	0.319	C	S	.	.	H	α-helix	trans	-51.4	-43.6	173.3	-90.9	156.1	0	0	0	112.6	V265 T334 M335 M340 Y341 W342	V265-L338 HydrophobicContact CG2-CD1 3.72Å; V265-L338 HydrophobicContact CG2-CG 4.35Å; T334-L338 HydrophobicContact CG2-CD1 4.07Å; T334-L338 WeakPolarHBondContact O-CB 3.43Å; T334-L338 WeakPolarHBondContact O-CD1 3.32Å; T334-L338 WeakPolarHBondContact O-CG 3.39Å; T334-L338 PolarHBondContact O-N 3.46Å; M335-L338 HydrophobicContact SD-CD1 4.26Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 2.95Å; L338-Y341 CarbonylContact O-C 3.58Å; L338-Y341 PolarHBondContact O-N 2.96Å; L338-W342 WeakPolarHBondContact O-CA 3.41Å; L338-W342 WeakPolarHBondContact O-CB 3.46Å; L338-W342 PolarHBondContact O-N 3.5Å
339	A	42.1	Very low	44.2	Very low	17 Å²	17	71.3 Å²	71.3	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-40.4	177	0	0	0	0	0	111.8	M111 M335 T337	M111-A339 HydrophobicContact CE-CB 4.47Å; M335-A339 WeakPolarHBondContact O-CB 3.35Å; M335-A339 PolarHBondContact O-N 2.82Å; T337-A339 VanDerWaalsContact C-N 3.31Å; T337-A339 PolarHBondContact O-N 2.83Å
340	M	44.4	Very low	44.4	Very low	111 Å²	111	75.4 Å²	75.4	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-68.8	-37.3	172.5	-71.9	-161.1	-77.9	0	0	112.7	K336 T337 L338	K336-M340 HydrophobicContact CG-CE 4.31Å; K336-M340 WeakPolarHBondContact O-CG 3.27Å; K336-M340 PolarHBondContact O-N 3.4Å; K336-M340 VanDerWaalsContact O-N 3.1Å; T337-M340 CarbonylContact O-C 3.56Å; T337-M340 WeakPolarHBondContact O-CA 3.39Å; T337-M340 WeakPolarHBondContact O-CB 3.23Å; T337-M340 PolarHBondContact O-N 2.89Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 2.95Å
341	Y	47.8	Very low	44.7	Very low	25 Å²	25	84 Å²	84	10%	0.098	38%	0.383	C	S	.	.	H	α-helix	trans	-80.8	-24.7	-179.9	-75.1	-71.9	0	0	0	114.2	T337 L338 R343 L344 V345 M494 I497	T337-Y341 HydrophobicContact CG2-CD2 3.5Å; T337-Y341 VanDerWaalsContact CG2-CD2 3.5Å; T337-Y341 HydrophobicContact CG2-CE2 3.32Å; T337-Y341 WeakPolarHBondContact O-CD2 3.31Å; T337-Y341 PolarHBondContact O-N 3.31Å; L338-Y341 CarbonylContact O-C 3.58Å; L338-Y341 PolarHBondContact O-N 2.96Å; Y341-R343 PolarHBondContact O-N 3.35Å; Y341-L344 HydrophobicContact CD1-CD1 4.03Å; Y341-L344 HydrophobicContact CE1-CD1 4.39Å; Y341-L344 CarbonylContact O-C 3.53Å; Y341-L344 WeakPolarHBondContact O-CA 3.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.1Å; Y341-L344 PolarHBondContact O-N 2.82Å; Y341-V345 WeakPolarHBondContact O-CG2 3.35Å; Y341-V345 PolarHBondContact O-N 3.15Å; Y341-M494 HydrophobicContact CE2-CE 3.64Å; Y341-M494 HydrophobicContact CE2-SD 4.17Å; Y341-M494 PolarHBondContact OH-SD 3.35Å; Y341-I497 HydrophobicContact CD1-CD1 4.4Å; Y341-I497 HydrophobicContact CE1-CD1 3.32Å; Y341-I497 WeakPolarHBondContact OH-CD1 3.22Å
342	W	45.5	Very low	45.1	Very low	26 Å²	26	85.9 Å²	85.9	10%	0.098	39%	0.393	C	S	.	.	H	α-helix	trans	-65.7	-28.9	177.3	-166.2	-104.1	0	0	0	111.4	M111 L338 L344 L420 L485	M111-W342 HydrophobicContact CE-CB 4.37Å; M111-W342 HydrophobicContact CE-CG 4.29Å; L338-W342 WeakPolarHBondContact O-CA 3.41Å; L338-W342 WeakPolarHBondContact O-CB 3.46Å; L338-W342 PolarHBondContact O-N 3.5Å; W342-L344 PolarHBondContact O-N 3.44Å; W342-L420 HydrophobicContact CD2-CD1 3.78Å; W342-L420 VanDerWaalsContact CE2-CD1 3.42Å; W342-L420 HydrophobicContact CE3-CD1 3.87Å; W342-L420 HydrophobicContact CE3-CD2 4.44Å; W342-L420 HydrophobicContact CE3-CG 4.41Å; W342-L420 HydrophobicContact CH2-CD1 3.4Å; W342-L420 HydrophobicContact CH2-CD2 3.82Å; W342-L420 HydrophobicContact CH2-CG 3.3Å; W342-L420 HydrophobicContact CZ2-CD1 3.24Å; W342-L420 HydrophobicContact CZ2-CG 3.59Å; W342-L420 HydrophobicContact CZ3-CD1 3.69Å; W342-L420 HydrophobicContact CZ3-CD2 3.75Å; W342-L420 HydrophobicContact CZ3-CG 3.73Å; W342-L485 HydrophobicContact CZ3-CD2 4.24Å
343	R	43	Very low	45.4	Very low	171 Å²	171	89 Å²	89	65%	0.645	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-24.7	168.1	-69	-177.7	175	-169.7	-3.2	112.8	D106 Y341	D106-R343 PolarHBondContact O-NH2 3.36Å; D106-R343 IonicContact OD1-CZ 3.23Å; D106-R343 VanDerWaalsContact OD1-CZ 3.23Å; D106-R343 IonicContact OD1-NE 3.06Å; D106-R343 PolarHBondContact OD1-NE 2.92Å; D106-R343 IonicContact OD1-NH2 2.69Å; D106-R343 PolarHBondContact OD1-NH2 3.38Å; Y341-R343 PolarHBondContact O-N 3.35Å
344	L	40.8	Very low	45.8	Very low	72 Å²	72	85.7 Å²	85.7	38%	0.377	41%	0.41	S	S	.	.	H	α-helix	trans	-97.8	-27.9	-177.2	-73.3	157	0	0	0	113.7	Y341 W342 I346 A347 F492 I497	Y341-L344 HydrophobicContact CD1-CD1 4.03Å; Y341-L344 HydrophobicContact CE1-CD1 4.39Å; Y341-L344 CarbonylContact O-C 3.53Å; Y341-L344 WeakPolarHBondContact O-CA 3.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.1Å; Y341-L344 PolarHBondContact O-N 2.82Å; W342-L344 PolarHBondContact O-N 3.44Å; L344-I346 PolarHBondContact O-N 3.44Å; L344-A347 PolarHBondContact O-N 2.84Å; L344-F492 HydrophobicContact CB-CE1 3.91Å; L344-F492 HydrophobicContact CB-CE2 4.3Å; L344-F492 HydrophobicContact CB-CZ 3.72Å; L344-F492 HydrophobicContact CD1-CE1 4.47Å; L344-F492 HydrophobicContact CD2-CE1 4.1Å; L344-F492 HydrophobicContact CD2-CZ 4.49Å; L344-F492 HydrophobicContact CG-CE1 4.39Å; L344-I497 HydrophobicContact CD1-CD1 4.45Å
345	V	45.2	Very low	46.4	Very low	15 Å²	15	86.9 Å²	86.9	9%	0.091	42%	0.416	C	S	.	.	H	α-helix	trans	-67	-30.6	-178.1	169.8	0	0	0	0	113.2	Y341 A347 L488 L489	Y341-V345 WeakPolarHBondContact O-CG2 3.35Å; Y341-V345 PolarHBondContact O-N 3.15Å; V345-A347 PolarHBondContact O-N 3.07Å; V345-A347 VanDerWaalsContact O-N 3.12Å; V345-L488 HydrophobicContact CG1-CB 4.01Å; V345-L488 HydrophobicContact CG1-CD1 4.37Å; V345-L488 HydrophobicContact CG1-CD2 4.5Å; V345-L489 HydrophobicContact CG2-CD2 4.02Å
346	I	49.5	Very low	47.4	Very low	52 Å²	52	86.5 Å²	86.5	27%	0.267	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.4	-176.7	-59.3	167.7	0	0	0	112.8	R110 L344	R110-I346 VanDerWaalsContact NH1-CG2 3.3Å; L344-I346 PolarHBondContact O-N 3.44Å
347	A	42.5	Very low	48.4	Very low	70 Å²	70	82 Å²	82	58%	0.579	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.2	179.7	0	0	0	0	0	114.6	L344 V345	L344-A347 PolarHBondContact O-N 2.84Å; V345-A347 PolarHBondContact O-N 3.07Å; V345-A347 VanDerWaalsContact O-N 3.12Å
348	K	43.9	Very low	49.4	Very low	112 Å²	112	84.6 Å²	84.6	49%	0.487	42%	0.423	S	S	.	.			trans	-104.8	90.6	-173.4	-74.4	-177.1	177.7	173.6	0	112.7	R350 G491	K348-R350 PolarHBondContact O-N 2.75Å; K348-G491 PolarHBondContact NZ-O 3.05Å
349	K	48.2	Very low	50.6	Low	180 Å²	180	83.1 Å²	83.1	78%	0.783	42%	0.415	S	S	*	.			trans	-82.5	88.2	170.3	-69.4	-176.5	177.9	-175.5	0	111
350	R	48.4	Very low	52.3	Low	222 Å²	222	87.5 Å²	87.5	84%	0.838	43%	0.431	S	S	*	.			trans	-175.7	102.8	156.8	-107.9	161.1	-168.8	-157.6	3.8	111.2	K348	K348-R350 PolarHBondContact O-N 2.75Å
351	K	49.3	Very low	53.9	Low	187 Å²	187	88.6 Å²	88.6	81%	0.813	43%	0.434	S	S	*	.			trans	149.9	12.3	146.9	-82.7	-179.7	178.9	-172.2	0	115.3	I353	K351-I353 VanDerWaalsContact C-N 3.26Å; K351-I353 PolarHBondContact O-N 2.98Å; K351-I353 VanDerWaalsContact O-N 3.15Å
352	L	50.9	Low	55.3	Low	56 Å²	56	88.5 Å²	88.5	29%	0.293	44%	0.435	S	S	.	.	H	α-helix	trans	-69.7	-8.6	-178.1	-128.4	93.4	0	0	0	116.4	S356 E416	L352-S356 VanDerWaalsContact O-CB 3.29Å; L352-S356 WeakPolarHBondContact O-CB 3.32Å; L352-S356 PolarHBondContact O-N 3.41Å; L352-S356 VanDerWaalsContact O-N 3.13Å; L352-S356 PolarHBondContact O-OG 3.39Å; L352-E416 HydrophobicContact CD2-CG 4.36Å
353	I	49.4	Very low	56.8	Low	149 Å²	149	87.3 Å²	87.3	76%	0.764	43%	0.431	S	S	*	.	H	α-helix	trans	-70.8	-40	-168.5	-59	173.9	0	0	0	112	K351 S356	K351-I353 VanDerWaalsContact C-N 3.26Å; K351-I353 PolarHBondContact O-N 2.98Å; K351-I353 VanDerWaalsContact O-N 3.15Å; I353-S356 PolarHBondContact O-OG 2.96Å
354	S	51.3	Low	58.5	Low	87 Å²	87	86 Å²	86	61%	0.608	43%	0.426	S	S	*	.	H	α-helix	trans	-77.4	-35.8	-176.5	72	0	0	0	0	113.1
355	I	56.6	Low	60.3	Low	29 Å²	29	85.7 Å²	85.7	15%	0.149	42%	0.424	C	S	.	.	H	α-helix	trans	-75.8	-29.7	178.4	-59.8	99.8	0	0	0	111.6	A357 V358 L359 I480 E484	I355-A357 PolarHBondContact O-N 3.35Å; I355-V358 PolarHBondContact O-N 2.9Å; I355-L359 HydrophobicContact CG2-CD1 3.75Å; I355-L359 HydrophobicContact CG2-CG 3.86Å; I355-L359 WeakPolarHBondContact O-CB 3.33Å; I355-L359 PolarHBondContact O-N 3.34Å; I355-I480 HydrophobicContact CG2-CG2 3.61Å; I355-E484 HydrophobicContact CB-CG 4.13Å; I355-E484 VanDerWaalsContact CD1-CD 3.4Å; I355-E484 WeakPolarHBondContact CD1-OE1 3.47Å; I355-E484 HydrophobicContact CG1-CG 4.22Å; I355-E484 WeakPolarHBondContact CG1-OE1 3.41Å; I355-E484 HydrophobicContact CG2-CG 3.57Å
356	S	62.1	Low	61.9	Low	41 Å²	41	85.1 Å²	85.1	29%	0.287	42%	0.42	S	S	.	.	H	α-helix	trans	-59.2	-34.3	175	74.7	0	0	0	0	112.9	L352 I353 K360	L352-S356 VanDerWaalsContact O-CB 3.29Å; L352-S356 WeakPolarHBondContact O-CB 3.32Å; L352-S356 PolarHBondContact O-N 3.41Å; L352-S356 VanDerWaalsContact O-N 3.13Å; L352-S356 PolarHBondContact O-OG 3.39Å; I353-S356 PolarHBondContact O-OG 2.96Å; S356-K360 WeakPolarHBondContact O-CB 3.34Å; S356-K360 PolarHBondContact O-N 3.31Å
357	A	65.9	Low	63.3	Low	46 Å²	46	84.2 Å²	84.2	38%	0.38	42%	0.416	S	S	.	.	H	α-helix	trans	-68	-46.3	176.6	0	0	0	0	0	111.7	I355 K360 H361	I355-A357 PolarHBondContact O-N 3.35Å; A357-K360 PolarHBondContact O-N 3.4Å; A357-H361 PolarHBondContact O-CD2 2.87Å; A357-H361 PolarHBondContact O-N 3.44Å
358	V	67.1	Low	65.1	Low	71 Å²	71	85.2 Å²	85.2	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-48.6	179.6	-179.3	0	0	0	0	111	I355 K360 H361 L362 I480	I355-V358 PolarHBondContact O-N 2.9Å; V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 PolarHBondContact O-N 3.33Å; V358-H361 PolarHBondContact O-N 2.89Å; V358-L362 HydrophobicContact CG1-CD1 3.95Å; V358-L362 HydrophobicContact CG1-CG 4.41Å; V358-L362 WeakPolarHBondContact O-CG 3.19Å; V358-L362 PolarHBondContact O-N 2.99Å; V358-I480 HydrophobicContact CG1-CD1 3.91Å
359	L	69.5	Low	66.4	Low	6 Å²	6	81.9 Å²	81.9	3%	0.031	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-35.3	177.1	-74.2	176.8	0	0	0	112.1	I355 L362 A363 L409 L413 I480 I481	I355-L359 HydrophobicContact CG2-CD1 3.75Å; I355-L359 HydrophobicContact CG2-CG 3.86Å; I355-L359 WeakPolarHBondContact O-CB 3.33Å; I355-L359 PolarHBondContact O-N 3.34Å; L359-L362 PolarHBondContact O-N 3.48Å; L359-A363 VanDerWaalsContact O-CB 3.29Å; L359-A363 WeakPolarHBondContact O-CB 3.3Å; L359-A363 PolarHBondContact O-N 2.92Å; L359-L409 HydrophobicContact CD2-CD1 4.45Å; L359-L413 HydrophobicContact CB-CD1 4.23Å; L359-L413 HydrophobicContact CB-CD2 3.8Å; L359-L413 HydrophobicContact CD1-CD2 3.88Å; L359-I480 HydrophobicContact CD1-CG2 4.48Å; L359-I480 HydrophobicContact CD2-CB 4.22Å; L359-I480 HydrophobicContact CD2-CG2 3.68Å; L359-I480 HydrophobicContact CG-CG2 3.97Å; L359-I481 HydrophobicContact CD1-CG1 4.47Å; L359-I481 HydrophobicContact CD2-CG1 3.96Å
360	K	76.1	Confident	67.5	Low	110 Å²	110	73.3 Å²	73.3	48%	0.478	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-47.5	173.7	-178.4	179.8	178.8	-174.6	0	111	S356 A357 V358 A363 W364 L410 L413	S356-K360 WeakPolarHBondContact O-CB 3.34Å; S356-K360 PolarHBondContact O-N 3.31Å; A357-K360 PolarHBondContact O-N 3.4Å; V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 PolarHBondContact O-N 3.33Å; K360-A363 PolarHBondContact O-N 2.94Å; K360-W364 PolarHBondContact O-N 3.44Å; K360-L410 HydrophobicContact CG-CD2 4.19Å; K360-L413 HydrophobicContact CB-CD1 3.87Å
361	H	78.2	Confident	68.6	Low	134 Å²	134	65.1 Å²	65.1	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-62.9	-41.7	177.1	-71.4	-56.1	0	0	0	112.2	A357 V358 W364 L365	A357-H361 PolarHBondContact O-CD2 2.87Å; A357-H361 PolarHBondContact O-N 3.44Å; V358-H361 PolarHBondContact O-N 2.89Å; H361-W364 PolarHBondContact O-N 3.23Å; H361-L365 WeakPolarHBondContact O-CB 3.37Å; H361-L365 PolarHBondContact O-N 2.82Å
362	L	76.9	Confident	69.7	Low	23 Å²	23	59.2 Å²	59.2	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-38.7	176	-70.2	172.5	0	0	0	112.3	V358 L359 L365 Q366 M473 I477 I480	V358-L362 HydrophobicContact CG1-CD1 3.95Å; V358-L362 HydrophobicContact CG1-CG 4.41Å; V358-L362 WeakPolarHBondContact O-CG 3.19Å; V358-L362 PolarHBondContact O-N 2.99Å; L359-L362 PolarHBondContact O-N 3.48Å; L362-L365 PolarHBondContact O-N 3Å; L362-Q366 WeakPolarHBondContact O-CB 3.04Å; L362-Q366 PolarHBondContact O-N 3.44Å; L362-M473 HydrophobicContact CD2-SD 4.45Å; L362-I477 HydrophobicContact CB-CD1 4.08Å; L362-I477 HydrophobicContact CB-CG1 3.79Å; L362-I477 HydrophobicContact CD1-CG1 3.91Å; L362-I477 HydrophobicContact CG-CG1 4.32Å; L362-I480 HydrophobicContact CD1-CD1 3.33Å
363	A	76.8	Confident	70.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-42.4	175	0	0	0	0	0	111.8	L359 K360 L365 Q366 L367 A406 L409 L410	L359-A363 VanDerWaalsContact O-CB 3.29Å; L359-A363 WeakPolarHBondContact O-CB 3.3Å; L359-A363 PolarHBondContact O-N 2.92Å; K360-A363 PolarHBondContact O-N 2.94Å; A363-L365 VanDerWaalsContact C-N 3.32Å; A363-L365 PolarHBondContact O-N 3.23Å; A363-Q366 PolarHBondContact O-N 2.96Å; A363-L367 PolarHBondContact O-N 3.37Å; A363-A406 WeakPolarHBondContact O-CB 3.46Å; A363-L409 HydrophobicContact CB-CB 4.27Å; A363-L409 HydrophobicContact CB-CD2 3.82Å; A363-L409 HydrophobicContact CB-CG 4.1Å; A363-L410 HydrophobicContact CB-CD2 3.69Å; A363-L410 HydrophobicContact CB-CG 3.71Å
364	W	80.5	Confident	71.4	Confident	143 Å²	143	51.7 Å²	51.7	54%	0.542	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-39	173.6	-78.8	113.6	0	0	0	112.5	K360 H361 Q366 L367 L368	K360-W364 PolarHBondContact O-N 3.44Å; H361-W364 PolarHBondContact O-N 3.23Å; W364-Q366 VanDerWaalsContact C-N 3.35Å; W364-L367 HydrophobicContact CD2-CD1 4.37Å; W364-L367 HydrophobicContact CE3-CD1 3.72Å; W364-L367 HydrophobicContact CZ3-CD1 3.9Å; W364-L367 WeakPolarHBondContact O-CB 3.18Å; W364-L367 PolarHBondContact O-N 2.87Å; W364-L368 PolarHBondContact O-N 3.02Å
365	L	78.5	Confident	72.2	Confident	67 Å²	67	51.6 Å²	51.6	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-68.6	-36.7	176.2	-166.3	57.2	0	0	0	111.1	H361 L362 A363 L368 M369 M473	H361-L365 WeakPolarHBondContact O-CB 3.37Å; H361-L365 PolarHBondContact O-N 2.82Å; L362-L365 PolarHBondContact O-N 3Å; A363-L365 VanDerWaalsContact C-N 3.32Å; A363-L365 PolarHBondContact O-N 3.23Å; L365-L368 HydrophobicContact CD1-CD2 4.21Å; L365-L368 PolarHBondContact O-N 3.22Å; L365-M369 HydrophobicContact CD1-CE 4.14Å; L365-M369 VanDerWaalsContact O-CG 3.32Å; L365-M369 WeakPolarHBondContact O-CG 3.37Å; L365-M369 PolarHBondContact O-N 3.02Å; L365-M473 VanDerWaalsContact C-CE 3.49Å; L365-M473 HydrophobicContact CB-CE 3.72Å; L365-M473 HydrophobicContact CB-SD 4.07Å; L365-M473 HydrophobicContact CD2-CE 3.91Å; L365-M473 HydrophobicContact CD2-SD 3.2Å; L365-M473 WeakPolarHBondContact CD2-SD 3.39Å; L365-M473 HydrophobicContact CG-CE 3.42Å; L365-M473 VanDerWaalsContact CG-CE 3.42Å; L365-M473 HydrophobicContact CG-SD 3.48Å; L365-M473 WeakPolarHBondContact CG-SD 3.27Å
366	Q	78.9	Confident	72.7	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-38.7	174.5	-172.4	177.7	11.5	0	0	111.5	L362 A363 W364 M369 G370 L402 A406 M473 I477	L362-Q366 WeakPolarHBondContact O-CB 3.04Å; L362-Q366 PolarHBondContact O-N 3.44Å; A363-Q366 PolarHBondContact O-N 2.96Å; W364-Q366 VanDerWaalsContact C-N 3.35Å; Q366-M369 PolarHBondContact O-N 3.49Å; Q366-G370 PolarHBondContact O-N 3.16Å; Q366-L402 HydrophobicContact CG-CB 4.32Å; Q366-L402 HydrophobicContact CG-CD2 3.91Å; Q366-A406 HydrophobicContact CB-CB 3.89Å; Q366-A406 HydrophobicContact CG-CB 3.94Å; Q366-M473 HydrophobicContact CB-CE 4.37Å; Q366-I477 HydrophobicContact CB-CD1 4.45Å
367	L	77.7	Confident	72.7	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-47.2	170.1	-80.7	165.6	0	0	0	111.7	A363 W364 M369 G370 S371 C403 A406 V407 L410	A363-L367 PolarHBondContact O-N 3.37Å; W364-L367 HydrophobicContact CD2-CD1 4.37Å; W364-L367 HydrophobicContact CE3-CD1 3.72Å; W364-L367 HydrophobicContact CZ3-CD1 3.9Å; W364-L367 WeakPolarHBondContact O-CB 3.18Å; W364-L367 PolarHBondContact O-N 2.87Å; L367-M369 PolarHBondContact O-N 2.91Å; L367-G370 PolarHBondContact O-N 3.23Å; L367-S371 PolarHBondContact O-N 3.44Å; L367-S371 PolarHBondContact O-OG 3.44Å; L367-C403 HydrophobicContact CD2-CB 4.1Å; L367-A406 HydrophobicContact CB-CB 4.48Å; L367-A406 HydrophobicContact CD1-CB 4.46Å; L367-A406 HydrophobicContact CD2-CB 4.05Å; L367-A406 HydrophobicContact CG-CB 3.61Å; L367-V407 HydrophobicContact CD2-CG2 4.24Å; L367-L410 HydrophobicContact CD1-CD1 3.77Å
368	L	80.5	Confident	72.4	Confident	91 Å²	91	48.2 Å²	48.2	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-47.8	179.1	-178.5	66	0	0	0	110.8	W364 L365 G370 S371 I372	W364-L368 PolarHBondContact O-N 3.02Å; L365-L368 HydrophobicContact CD1-CD2 4.21Å; L365-L368 PolarHBondContact O-N 3.22Å; L368-G370 VanDerWaalsContact C-N 3.35Å; L368-G370 PolarHBondContact O-N 3.39Å; L368-S371 PolarHBondContact O-N 2.91Å; L368-S371 PolarHBondContact O-OG 3.18Å; L368-I372 HydrophobicContact CD1-CD1 4.4Å; L368-I372 HydrophobicContact CG-CD1 4.04Å; L368-I372 WeakPolarHBondContact O-CG1 3.14Å; L368-I372 PolarHBondContact O-N 3.18Å
369	M	72.3	Confident	72.4	Confident	42 Å²	42	49 Å²	49	21%	0.207	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-39.3	177.9	-67.1	-60.3	164.9	0	0	112.2	L365 Q366 L367 S371 I372 Q373 V470 M473	L365-M369 HydrophobicContact CD1-CE 4.14Å; L365-M369 VanDerWaalsContact O-CG 3.32Å; L365-M369 WeakPolarHBondContact O-CG 3.37Å; L365-M369 PolarHBondContact O-N 3.02Å; Q366-M369 PolarHBondContact O-N 3.49Å; L367-M369 PolarHBondContact O-N 2.91Å; M369-S371 VanDerWaalsContact C-N 3.33Å; M369-S371 PolarHBondContact O-N 3.5Å; M369-I372 PolarHBondContact O-N 2.89Å; M369-I372 HydrophobicContact SD-CD1 4.22Å; M369-Q373 PolarHBondContact O-N 3.39Å; M369-V470 HydrophobicContact CB-CG2 3.61Å; M369-V470 HydrophobicContact CG-CG2 4.04Å; M369-M473 HydrophobicContact CG-CE 3.95Å
370	G	69.5	Low	72.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-42.7	173.1	0	0	0	0	0	112.4	Q366 L367 L368 Q373 T374 G399	Q366-G370 PolarHBondContact O-N 3.16Å; L367-G370 PolarHBondContact O-N 3.23Å; L368-G370 VanDerWaalsContact C-N 3.35Å; L368-G370 PolarHBondContact O-N 3.39Å; G370-Q373 PolarHBondContact O-N 3.46Å; G370-T374 WeakPolarHBondContact O-CB 3.48Å; G370-T374 PolarHBondContact O-N 3.4Å; G370-T374 PolarHBondContact O-OG1 2.85Å; G370-G399 WeakPolarHBondContact CA-O 3.33Å; G370-G399 WeakPolarHBondContact O-CA 3.21Å
371	S	72.9	Confident	71.2	Confident	50 Å²	50	46.9 Å²	46.9	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-39.3	174.5	68.1	0	0	0	0	112.8	L367 L368 M369 T374 V375	L367-S371 PolarHBondContact O-N 3.44Å; L367-S371 PolarHBondContact O-OG 3.44Å; L368-S371 PolarHBondContact O-N 2.91Å; L368-S371 PolarHBondContact O-OG 3.18Å; M369-S371 VanDerWaalsContact C-N 3.33Å; M369-S371 PolarHBondContact O-N 3.5Å; S371-T374 PolarHBondContact O-N 3.39Å; S371-V375 VanDerWaalsContact O-CG2 3.29Å; S371-V375 WeakPolarHBondContact O-CG2 3.42Å; S371-V375 PolarHBondContact O-N 3.06Å
372	I	72.3	Confident	70.2	Confident	63 Å²	63	48.8 Å²	48.8	32%	0.323	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-46.5	177.9	-70	164.7	0	0	0	110	L368 M369 T374 V375 L376	L368-I372 HydrophobicContact CD1-CD1 4.4Å; L368-I372 HydrophobicContact CG-CD1 4.04Å; L368-I372 WeakPolarHBondContact O-CG1 3.14Å; L368-I372 PolarHBondContact O-N 3.18Å; M369-I372 PolarHBondContact O-N 2.89Å; M369-I372 HydrophobicContact SD-CD1 4.22Å; I372-T374 VanDerWaalsContact C-N 3.3Å; I372-T374 PolarHBondContact O-N 3.39Å; I372-V375 PolarHBondContact O-N 3.36Å; I372-L376 HydrophobicContact CG2-CD1 3.69Å; I372-L376 HydrophobicContact CG2-CG 4.18Å; I372-L376 WeakPolarHBondContact O-CB 3.21Å; I372-L376 WeakPolarHBondContact O-CG 3.35Å; I372-L376 PolarHBondContact O-N 3.47Å
373	Q	70.1	Confident	69.4	Low	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-37.4	175.7	-77.6	-172.4	-5.4	0	0	112.6	M369 G370 G377 S395 K398 L402 N467	M369-Q373 PolarHBondContact O-N 3.39Å; G370-Q373 PolarHBondContact O-N 3.46Å; Q373-G377 WeakPolarHBondContact O-CA 3.44Å; Q373-G377 PolarHBondContact O-N 3.29Å; Q373-S395 PolarHBondContact O-OG 2.96Å; Q373-K398 VanDerWaalsContact OE1-CB 3.29Å; Q373-L402 HydrophobicContact CG-CD1 4.49Å; Q373-N467 PolarHBondContact NE2-OD1 3.16Å
374	T	65.1	Low	68	Low	45 Å²	45	61.2 Å²	61.2	28%	0.276	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.7	-52.8	0	0	0	0	111.1	G370 S371 I372 G378 I396 G399	G370-T374 WeakPolarHBondContact O-CB 3.48Å; G370-T374 PolarHBondContact O-N 3.4Å; G370-T374 PolarHBondContact O-OG1 2.85Å; S371-T374 PolarHBondContact O-N 3.39Å; I372-T374 VanDerWaalsContact C-N 3.3Å; I372-T374 PolarHBondContact O-N 3.39Å; T374-G378 PolarHBondContact O-N 2.84Å; T374-I396 HydrophobicContact CG2-CG2 4.34Å; T374-G399 WeakPolarHBondContact OG1-CA 3.49Å
375	V	69.4	Low	66.9	Low	85 Å²	85	56.5 Å²	56.5	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-47.4	179.3	171.5	0	0	0	0	111.4	S371 I372 G378 Q379	S371-V375 VanDerWaalsContact O-CG2 3.29Å; S371-V375 WeakPolarHBondContact O-CG2 3.42Å; S371-V375 PolarHBondContact O-N 3.06Å; I372-V375 PolarHBondContact O-N 3.36Å; V375-G378 PolarHBondContact O-N 3.34Å; V375-Q379 WeakPolarHBondContact O-CG 3.43Å; V375-Q379 PolarHBondContact O-N 3.39Å
376	L	66.7	Low	65.6	Low	28 Å²	28	57.2 Å²	57.2	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177	-69.8	175.4	0	0	0	110.9	I372 G378 Q379 I380 L463	I372-L376 HydrophobicContact CG2-CD1 3.69Å; I372-L376 HydrophobicContact CG2-CG 4.18Å; I372-L376 WeakPolarHBondContact O-CB 3.21Å; I372-L376 WeakPolarHBondContact O-CG 3.35Å; I372-L376 PolarHBondContact O-N 3.47Å; L376-G378 PolarHBondContact O-N 3.43Å; L376-Q379 PolarHBondContact O-N 3.48Å; L376-I380 WeakPolarHBondContact O-CB 3.19Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 2.93Å; L376-L463 HydrophobicContact CB-CD1 3.74Å; L376-L463 HydrophobicContact CD1-CD1 3.97Å
377	G	62.5	Low	64.2	Low	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-44.6	174.3	0	0	0	0	0	112.4	Q373 Q379 I380 F381 G392 S395	Q373-G377 WeakPolarHBondContact O-CA 3.44Å; Q373-G377 PolarHBondContact O-N 3.29Å; G377-Q379 PolarHBondContact O-N 2.85Å; G377-I380 PolarHBondContact O-N 3.25Å; G377-F381 VanDerWaalsContact O-CB 3.28Å; G377-F381 WeakPolarHBondContact O-CB 3.34Å; G377-F381 PolarHBondContact O-N 3.28Å; G377-G392 WeakPolarHBondContact CA-O 3.49Å; G377-G392 WeakPolarHBondContact O-CA 3.26Å; G377-S395 WeakPolarHBondContact CA-OG 3.29Å
378	G	59.5	Low	63.1	Low	17 Å²	17	58.9 Å²	58.9	18%	0.175	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-45.9	172.9	0	0	0	0	0	112.9	T374 V375 L376 I380 F381 F382	T374-G378 PolarHBondContact O-N 2.84Å; V375-G378 PolarHBondContact O-N 3.34Å; L376-G378 PolarHBondContact O-N 3.43Å; G378-I380 VanDerWaalsContact C-N 3.28Å; G378-I380 PolarHBondContact O-N 3.13Å; G378-F381 WeakPolarHBondContact O-CB 3.44Å; G378-F381 PolarHBondContact O-N 3.08Å; G378-F382 WeakPolarHBondContact O-CD2 3.24Å; G378-F382 PolarHBondContact O-N 3.49Å
379	Q	65.6	Low	61.9	Low	87 Å²	87	57.4 Å²	57.4	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-33	177.6	-70.7	177.4	6	0	0	113.1	V375 L376 G377	V375-Q379 WeakPolarHBondContact O-CG 3.43Å; V375-Q379 PolarHBondContact O-N 3.39Å; L376-Q379 PolarHBondContact O-N 3.48Å; G377-Q379 PolarHBondContact O-N 2.85Å
380	I	63.1	Low	61.1	Low	5 Å²	5	59.6 Å²	59.6	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-76	-37.6	176.3	-68.5	170.3	0	0	0	110.4	L376 G377 G378 F382 N383 I388 Y391 L463	L376-I380 WeakPolarHBondContact O-CB 3.19Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 2.93Å; G377-I380 PolarHBondContact O-N 3.25Å; G378-I380 VanDerWaalsContact C-N 3.28Å; G378-I380 PolarHBondContact O-N 3.13Å; I380-F382 VanDerWaalsContact C-N 3.29Å; I380-F382 PolarHBondContact O-N 3.45Å; I380-N383 WeakPolarHBondContact O-CB 3.24Å; I380-N383 PolarHBondContact O-N 2.95Å; I380-I388 HydrophobicContact CG2-CG2 3.33Å; I380-I388 VanDerWaalsContact CG2-O 3.28Å; I380-I388 WeakPolarHBondContact CG2-O 3.31Å; I380-Y391 HydrophobicContact CG2-CD1 4.49Å; I380-L463 HydrophobicContact CD1-CD2 4.23Å
381	F	58.3	Low	60.6	Low	68 Å²	68	61 Å²	61	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-33.3	179.5	-175.5	-93.8	0	0	0	113	G377 G378 N383 Q389 D393 I396	G377-F381 VanDerWaalsContact O-CB 3.28Å; G377-F381 WeakPolarHBondContact O-CB 3.34Å; G377-F381 PolarHBondContact O-N 3.28Å; G378-F381 WeakPolarHBondContact O-CB 3.44Å; G378-F381 PolarHBondContact O-N 3.08Å; F381-N383 PolarHBondContact O-N 2.97Å; F381-Q389 WeakPolarHBondContact O-CG 3.48Å; F381-D393 HydrophobicContact CD2-CB 4.22Å; F381-D393 HydrophobicContact CE2-CB 4.29Å; F381-I396 HydrophobicContact CB-CD1 4.15Å; F381-I396 HydrophobicContact CG-CD1 4.36Å
382	F	57.5	Low	59.9	Low	173 Å²	173	58.6 Å²	58.6	76%	0.759	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	5.6	176.1	-67.6	-67.8	0	0	0	114.5	G378 I380	G378-F382 WeakPolarHBondContact O-CD2 3.24Å; G378-F382 PolarHBondContact O-N 3.49Å; I380-F382 VanDerWaalsContact C-N 3.29Å; I380-F382 PolarHBondContact O-N 3.45Å
383	N	58.9	Low	59.4	Low	49 Å²	49	58.5 Å²	58.5	26%	0.262	30%	0.303	S	S	.	.	S	Bend	trans	-79.3	154.5	177.5	-151.1	-12	0	0	0	111.9	I380 F381 S385 I388 Q389 T456	I380-N383 WeakPolarHBondContact O-CB 3.24Å; I380-N383 PolarHBondContact O-N 2.95Å; F381-N383 PolarHBondContact O-N 2.97Å; N383-S385 PolarHBondContact O-N 3.29Å; N383-I388 HydrophobicContact CB-CG2 4.12Å; N383-Q389 VanDerWaalsContact O-CG 3.23Å; N383-Q389 WeakPolarHBondContact O-CG 3.4Å; N383-Q389 PolarHBondContact O-NE2 3.44Å; N383-T456 WeakPolarHBondContact ND2-CG2 3.5Å
384	R	49	Very low	58.9	Low	235 Å²	235	59 Å²	59	89%	0.887	31%	0.309	S	S	*	.	S	Bend	trans	-75.5	-16.2	-170.7	-75.5	-173.1	178.1	-179.7	-0.2	115.2
385	S	56.5	Low	58.9	Low	45 Å²	45	56.9 Å²	56.9	32%	0.315	30%	0.296	S	S	.	.			trans	-93.2	126.1	-175.7	58.3	0	0	0	0	112.3	N383 A387 I388 Q389	N383-S385 PolarHBondContact O-N 3.29Å; S385-A387 VanDerWaalsContact C-N 3.3Å; S385-A387 PolarHBondContact O-N 3.46Å; S385-I388 PolarHBondContact O-N 2.8Å; S385-I388 VanDerWaalsContact O-N 3.09Å; S385-I388 WeakPolarHBondContact OG-CB 3.36Å; S385-I388 WeakPolarHBondContact OG-CD1 3.48Å; S385-I388 WeakPolarHBondContact OG-CG1 3.5Å; S385-Q389 WeakPolarHBondContact O-CG 3.46Å; S385-Q389 PolarHBondContact O-N 3.27Å
386	S	50.9	Low	58.5	Low	82 Å²	82	54.5 Å²	54.5	57%	0.573	28%	0.28	S	S	*	.	H	α-helix	trans	-53.6	-38.1	-178.1	52.2	0	0	0	0	114.8	Q389 L390	S386-Q389 PolarHBondContact O-N 3.39Å; S386-L390 PolarHBondContact O-N 2.95Å
387	A	50.7	Low	58.4	Low	57 Å²	57	53.4 Å²	53.4	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-41.6	178.2	0	0	0	0	0	112.4	S385 L390 Y391	S385-A387 VanDerWaalsContact C-N 3.3Å; S385-A387 PolarHBondContact O-N 3.46Å; A387-L390 PolarHBondContact O-N 3.42Å; A387-Y391 PolarHBondContact O-N 3.14Å
388	I	54.9	Low	58.6	Low	14 Å²	14	53.9 Å²	53.9	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-71.4	-33.7	178.2	-59.5	-175.7	0	0	0	110.6	I380 N383 S385 Y391 G392 Y447 T456	I380-I388 HydrophobicContact CG2-CG2 3.33Å; I380-I388 VanDerWaalsContact CG2-O 3.28Å; I380-I388 WeakPolarHBondContact CG2-O 3.31Å; N383-I388 HydrophobicContact CB-CG2 4.12Å; S385-I388 PolarHBondContact O-N 2.8Å; S385-I388 VanDerWaalsContact O-N 3.09Å; S385-I388 WeakPolarHBondContact OG-CB 3.36Å; S385-I388 WeakPolarHBondContact OG-CD1 3.48Å; S385-I388 WeakPolarHBondContact OG-CG1 3.5Å; I388-Y391 PolarHBondContact O-N 2.96Å; I388-G392 PolarHBondContact O-N 3.18Å; I388-Y447 HydrophobicContact CD1-CE1 4.48Å; I388-Y447 WeakPolarHBondContact CD1-OH 3.45Å; I388-Y447 WeakPolarHBondContact CG1-OH 3.27Å; I388-T456 HydrophobicContact CD1-CG2 3.95Å
389	Q	53.4	Low	58.9	Low	59 Å²	59	53.1 Å²	53.1	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-43.1	174.8	-67.4	-176.9	-21	0	0	112.3	F381 N383 S385 S386 Y391 G392 D393	F381-Q389 WeakPolarHBondContact O-CG 3.48Å; N383-Q389 VanDerWaalsContact O-CG 3.23Å; N383-Q389 WeakPolarHBondContact O-CG 3.4Å; N383-Q389 PolarHBondContact O-NE2 3.44Å; S385-Q389 WeakPolarHBondContact O-CG 3.46Å; S385-Q389 PolarHBondContact O-N 3.27Å; S386-Q389 PolarHBondContact O-N 3.39Å; Q389-Y391 VanDerWaalsContact C-N 3.31Å; Q389-Y391 PolarHBondContact O-N 2.9Å; Q389-G392 WeakPolarHBondContact O-CA 3.39Å; Q389-G392 PolarHBondContact O-N 3.36Å; Q389-D393 PolarHBondContact O-N 2.97Å
390	L	55.5	Low	58.8	Low	89 Å²	89	51.8 Å²	51.8	47%	0.466	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-38.8	175.6	-74.3	161	0	0	0	112	S386 A387 D393 G394	S386-L390 PolarHBondContact O-N 2.95Å; A387-L390 PolarHBondContact O-N 3.42Å; L390-D393 PolarHBondContact O-N 2.9Å; L390-G394 PolarHBondContact O-N 2.87Å
391	Y	60.7	Low	59.1	Low	29 Å²	29	53.1 Å²	53.1	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-37.4	174.3	-168.2	-105.5	0	0	0	112.2	I380 A387 I388 Q389 S395 D440 L443 L460 L463	I380-Y391 HydrophobicContact CG2-CD1 4.49Å; A387-Y391 PolarHBondContact O-N 3.14Å; I388-Y391 PolarHBondContact O-N 2.96Å; Q389-Y391 VanDerWaalsContact C-N 3.31Å; Q389-Y391 PolarHBondContact O-N 2.9Å; Y391-S395 WeakPolarHBondContact O-CB 3.39Å; Y391-S395 PolarHBondContact O-N 3.09Å; Y391-D440 WeakPolarHBondContact CE2-OD1 3.23Å; Y391-L443 HydrophobicContact CD2-CD1 3.65Å; Y391-L443 HydrophobicContact CE2-CD1 3.66Å; Y391-L460 HydrophobicContact CD1-CD2 3.7Å; Y391-L460 HydrophobicContact CE1-CD2 3.44Å; Y391-L460 VanDerWaalsContact CE1-CD2 3.44Å; Y391-L463 HydrophobicContact CD1-CD2 3.99Å; Y391-L463 HydrophobicContact CE1-CD2 3.18Å; Y391-L463 HydrophobicContact CE1-CG 4.43Å
392	G	58.2	Low	59.8	Low	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-43.5	171.4	0	0	0	0	0	112.6	G377 I388 Q389 S395 I396	G377-G392 WeakPolarHBondContact CA-O 3.49Å; G377-G392 WeakPolarHBondContact O-CA 3.26Å; I388-G392 PolarHBondContact O-N 3.18Å; Q389-G392 WeakPolarHBondContact O-CA 3.39Å; Q389-G392 PolarHBondContact O-N 3.36Å; G392-S395 WeakPolarHBondContact O-CB 3.48Å; G392-S395 PolarHBondContact O-N 2.95Å; G392-I396 VanDerWaalsContact O-CG1 3.29Å; G392-I396 WeakPolarHBondContact O-CG1 3.4Å; G392-I396 PolarHBondContact O-N 3.29Å
393	D	60.7	Low	60.6	Low	60 Å²	60	43.2 Å²	43.2	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-47.8	176.9	-163.1	14.7	0	0	0	111.6	F381 Q389 L390 S395 I396 M397	F381-D393 HydrophobicContact CD2-CB 4.22Å; F381-D393 HydrophobicContact CE2-CB 4.29Å; Q389-D393 PolarHBondContact O-N 2.97Å; L390-D393 PolarHBondContact O-N 2.9Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.31Å; D393-I396 WeakPolarHBondContact O-CB 3.29Å; D393-I396 PolarHBondContact O-N 2.9Å; D393-I396 VanDerWaalsContact O-N 3.09Å; D393-M397 PolarHBondContact O-N 3.34Å
394	G	60.8	Low	61.1	Low	12 Å²	12	44.6 Å²	44.6	12%	0.124	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-40	173.8	0	0	0	0	0	112.4	L390 M397 K398	L390-G394 PolarHBondContact O-N 2.87Å; G394-M397 PolarHBondContact O-N 3.36Å; G394-K398 VanDerWaalsContact O-CG 3.29Å; G394-K398 WeakPolarHBondContact O-CG 3.41Å; G394-K398 PolarHBondContact O-N 2.97Å
395	S	64.3	Low	62.1	Low	1 Å²	1	33.6 Å²	33.6	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-39.7	174.9	-175.4	0	0	0	0	113.1	Q373 G377 Y391 G392 D393 M397 K398 G399 L463	Q373-S395 PolarHBondContact O-OG 2.96Å; G377-S395 WeakPolarHBondContact CA-OG 3.29Å; Y391-S395 WeakPolarHBondContact O-CB 3.39Å; Y391-S395 PolarHBondContact O-N 3.09Å; G392-S395 WeakPolarHBondContact O-CB 3.48Å; G392-S395 PolarHBondContact O-N 2.95Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.31Å; S395-M397 VanDerWaalsContact C-N 3.33Å; S395-K398 PolarHBondContact O-N 2.97Å; S395-G399 PolarHBondContact O-N 3.31Å; S395-L463 VanDerWaalsContact OG-CD1 3.24Å; S395-L463 WeakPolarHBondContact OG-CD1 3.47Å
396	I	61.4	Low	63	Low	35 Å²	35	31.4 Å²	31.4	18%	0.179	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-44.4	174.6	-68.7	163.3	0	0	0	109.6	T374 F381 G392 D393 G399 M400	T374-I396 HydrophobicContact CG2-CG2 4.34Å; F381-I396 HydrophobicContact CB-CD1 4.15Å; F381-I396 HydrophobicContact CG-CD1 4.36Å; G392-I396 VanDerWaalsContact O-CG1 3.29Å; G392-I396 WeakPolarHBondContact O-CG1 3.4Å; G392-I396 PolarHBondContact O-N 3.29Å; D393-I396 WeakPolarHBondContact O-CB 3.29Å; D393-I396 PolarHBondContact O-N 2.9Å; D393-I396 VanDerWaalsContact O-N 3.09Å; I396-G399 PolarHBondContact O-N 3.48Å; I396-M400 HydrophobicContact CG2-CE 4.04Å; I396-M400 HydrophobicContact CG2-SD 4.46Å; I396-M400 WeakPolarHBondContact O-CG 3.32Å; I396-M400 PolarHBondContact O-N 3.46Å
397	M	64.2	Low	64.2	Low	5 Å²	5	29.7 Å²	29.7	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-50.4	176.3	-172.9	-164.2	70.3	0	0	111.9	E85 Y128 L129 D393 G394 S395 G399 M400 L401	E85-M397 HydrophobicContact CB-CE 4.1Å; E85-M397 HydrophobicContact CB-SD 4.25Å; E85-M397 HydrophobicContact CG-CE 3.5Å; E85-M397 HydrophobicContact CG-SD 4.08Å; E85-M397 WeakPolarHBondContact OE1-CE 3.29Å; Y128-M397 HydrophobicContact CD1-SD 4.42Å; Y128-M397 HydrophobicContact CE1-CB 4.48Å; Y128-M397 HydrophobicContact CE1-CG 3.53Å; Y128-M397 HydrophobicContact CE1-SD 3.48Å; Y128-M397 WeakPolarHBondContact CE1-SD 3.47Å; Y128-M397 VanDerWaalsContact OH-CB 3.27Å; Y128-M397 WeakPolarHBondContact OH-CB 3.36Å; Y128-M397 WeakPolarHBondContact OH-CG 3.48Å; L129-M397 HydrophobicContact CD2-SD 4.49Å; D393-M397 PolarHBondContact O-N 3.34Å; G394-M397 PolarHBondContact O-N 3.36Å; S395-M397 VanDerWaalsContact C-N 3.33Å; M397-G399 VanDerWaalsContact C-N 3.25Å; M397-G399 PolarHBondContact O-N 3.33Å; M397-M400 PolarHBondContact O-N 3.31Å; M397-M400 VanDerWaalsContact O-N 3.16Å; M397-L401 HydrophobicContact CE-CD1 3.89Å; M397-L401 HydrophobicContact CG-CD1 4.07Å; M397-L401 HydrophobicContact CG-CG 4.38Å; M397-L401 WeakPolarHBondContact O-CG 3.39Å; M397-L401 PolarHBondContact O-N 2.89Å; M397-L401 HydrophobicContact SD-CD1 4.26Å
398	K	66.7	Low	65.2	Low	10 Å²	10	27.6 Å²	27.6	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-54.7	-45.6	176.7	-69.1	-178.7	-147	-155.4	0	110.3	Q373 G394 S395 M400 L401 L402 L433 Q436 D440	Q373-K398 VanDerWaalsContact OE1-CB 3.29Å; G394-K398 VanDerWaalsContact O-CG 3.29Å; G394-K398 WeakPolarHBondContact O-CG 3.41Å; G394-K398 PolarHBondContact O-N 2.97Å; S395-K398 PolarHBondContact O-N 2.97Å; K398-M400 PolarHBondContact O-N 2.87Å; K398-L401 PolarHBondContact O-N 3.39Å; K398-L402 VanDerWaalsContact O-CG 3.29Å; K398-L402 WeakPolarHBondContact O-CG 3.29Å; K398-L402 PolarHBondContact O-N 2.91Å; K398-L433 HydrophobicContact CD-CD2 4.02Å; K398-L433 HydrophobicContact CG-CD2 4.36Å; K398-Q436 VanDerWaalsContact CD-OE1 3.31Å; K398-D440 IonicContact NZ-OD1 2.75Å; K398-D440 PolarHBondContact NZ-OD1 3.46Å; K398-D440 IonicContact NZ-OD2 3.74Å; K398-D440 PolarHBondContact NZ-OD2 3.35Å
399	G	64.7	Low	66.2	Low	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-45.1	176.8	0	0	0	0	0	113.7	G370 T374 S395 I396 M397 L402 C403	G370-G399 WeakPolarHBondContact CA-O 3.33Å; G370-G399 WeakPolarHBondContact O-CA 3.21Å; T374-G399 WeakPolarHBondContact OG1-CA 3.49Å; S395-G399 PolarHBondContact O-N 3.31Å; I396-G399 PolarHBondContact O-N 3.48Å; M397-G399 VanDerWaalsContact C-N 3.25Å; M397-G399 PolarHBondContact O-N 3.33Å; G399-L402 PolarHBondContact O-N 3.3Å; G399-C403 PolarHBondContact O-N 2.81Å; G399-C403 PolarHBondContact O-SG 3.29Å
400	M	65.5	Low	67.4	Low	59 Å²	59	26.2 Å²	26.2	29%	0.291	14%	0.142	S	C	.	.	H	α-helix	trans	-66.2	-41.6	176.6	-70.5	-170.9	-61.9	0	0	112.6	Y128 I396 M397 K398 C403 L404	Y128-M400 HydrophobicContact CE2-CE 3.81Å; I396-M400 HydrophobicContact CG2-CE 4.04Å; I396-M400 HydrophobicContact CG2-SD 4.46Å; I396-M400 WeakPolarHBondContact O-CG 3.32Å; I396-M400 PolarHBondContact O-N 3.46Å; M397-M400 PolarHBondContact O-N 3.31Å; M397-M400 VanDerWaalsContact O-N 3.16Å; K398-M400 PolarHBondContact O-N 2.87Å; M400-C403 PolarHBondContact O-N 3.31Å; M400-L404 WeakPolarHBondContact O-CB 3.45Å; M400-L404 PolarHBondContact O-N 2.91Å
401	L	68.6	Low	68.2	Low	33 Å²	33	23.4 Å²	23.4	17%	0.173	13%	0.128	C	C	.	.	H	α-helix	trans	-64.3	-39.7	177.3	-71.8	173.4	0	0	0	111.9	L125 M397 K398 L404 A405 L429 I432	L125-L401 HydrophobicContact CD1-CD2 4.09Å; M397-L401 HydrophobicContact CE-CD1 3.89Å; M397-L401 HydrophobicContact CG-CD1 4.07Å; M397-L401 HydrophobicContact CG-CG 4.38Å; M397-L401 WeakPolarHBondContact O-CG 3.39Å; M397-L401 PolarHBondContact O-N 2.89Å; M397-L401 HydrophobicContact SD-CD1 4.26Å; K398-L401 PolarHBondContact O-N 3.39Å; L401-L404 PolarHBondContact O-N 3.34Å; L401-A405 VanDerWaalsContact O-CB 3.31Å; L401-A405 WeakPolarHBondContact O-CB 3.45Å; L401-A405 PolarHBondContact O-N 3.5Å; L401-L429 HydrophobicContact CB-CD1 3.85Å; L401-L429 HydrophobicContact CD1-CD1 4.44Å; L401-I432 HydrophobicContact CD1-CD1 3.99Å
402	L	73.7	Confident	68.6	Low	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-47.1	172.5	-74.1	167.8	0	0	0	111.9	Q366 Q373 K398 G399 L404 A405 A406 L429 V470 I474	Q366-L402 HydrophobicContact CG-CB 4.32Å; Q366-L402 HydrophobicContact CG-CD2 3.91Å; Q373-L402 HydrophobicContact CG-CD1 4.49Å; K398-L402 VanDerWaalsContact O-CG 3.29Å; K398-L402 WeakPolarHBondContact O-CG 3.29Å; K398-L402 PolarHBondContact O-N 2.91Å; G399-L402 PolarHBondContact O-N 3.3Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 3.01Å; L402-A405 PolarHBondContact O-N 3.42Å; L402-A406 VanDerWaalsContact O-CB 3.28Å; L402-A406 WeakPolarHBondContact O-CB 3.47Å; L402-A406 PolarHBondContact O-N 2.89Å; L402-L429 HydrophobicContact CD2-CD2 3.71Å; L402-L429 HydrophobicContact CD2-CG 4.43Å; L402-L429 HydrophobicContact CG-CD2 4.23Å; L402-V470 HydrophobicContact CD1-CG1 3.74Å; L402-V470 HydrophobicContact CD1-CG2 4.13Å; L402-V470 HydrophobicContact CD2-CG1 3.33Å; L402-V470 HydrophobicContact CG-CG1 4.17Å; L402-I474 HydrophobicContact CD2-CD1 3.64Å; L402-I474 HydrophobicContact CD2-CG1 4.37Å
403	C	74.2	Confident	69.2	Low	33 Å²	33	24 Å²	24	22%	0.223	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-44.3	177.4	-71.6	0	0	0	0	111.4	L367 G399 M400 A406 V407	L367-C403 HydrophobicContact CD2-CB 4.1Å; G399-C403 PolarHBondContact O-N 2.81Å; G399-C403 PolarHBondContact O-SG 3.29Å; M400-C403 PolarHBondContact O-N 3.31Å; C403-A406 PolarHBondContact O-N 2.71Å; C403-V407 WeakPolarHBondContact O-CG2 3.49Å; C403-V407 PolarHBondContact O-N 2.87Å
404	L	68.9	Low	69.4	Low	78 Å²	78	28.4 Å²	28.4	41%	0.408	15%	0.15	S	C	.	.	H	α-helix	trans	-63	-46.5	177.5	-177.3	65.5	0	0	0	111.9	L121 M400 L401 L402 A406 V407 L408	L121-L404 HydrophobicContact CD2-CD2 4.24Å; M400-L404 WeakPolarHBondContact O-CB 3.45Å; M400-L404 PolarHBondContact O-N 2.91Å; L401-L404 PolarHBondContact O-N 3.34Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 3.01Å; L404-A406 VanDerWaalsContact C-N 3.29Å; L404-A406 PolarHBondContact O-N 3.03Å; L404-V407 PolarHBondContact O-N 3.4Å; L404-L408 HydrophobicContact CG-CD1 4.39Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.27Å
405	A	70.6	Confident	69.3	Low	4 Å²	4	30.6 Å²	30.6	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-37.2	178.5	0	0	0	0	0	111.9	L401 L402 L408 L409 Q426 L429	L401-A405 VanDerWaalsContact O-CB 3.31Å; L401-A405 WeakPolarHBondContact O-CB 3.45Å; L401-A405 PolarHBondContact O-N 3.5Å; L402-A405 PolarHBondContact O-N 3.42Å; A405-L408 PolarHBondContact O-N 3.41Å; A405-L409 WeakPolarHBondContact O-CB 3.36Å; A405-L409 PolarHBondContact O-N 3.17Å; A405-Q426 PolarHBondContact O-NE2 2.91Å; A405-Q426 VanDerWaalsContact O-NE2 3.08Å; A405-L429 HydrophobicContact CB-CD2 3.64Å
406	A	75.5	Confident	69	Low	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.1	-39.4	175.2	0	0	0	0	0	112.8	A363 Q366 L367 L402 C403 L404 L409 L410	A363-A406 WeakPolarHBondContact O-CB 3.46Å; Q366-A406 HydrophobicContact CB-CB 3.89Å; Q366-A406 HydrophobicContact CG-CB 3.94Å; L367-A406 HydrophobicContact CB-CB 4.48Å; L367-A406 HydrophobicContact CD1-CB 4.46Å; L367-A406 HydrophobicContact CD2-CB 4.05Å; L367-A406 HydrophobicContact CG-CB 3.61Å; L402-A406 VanDerWaalsContact O-CB 3.28Å; L402-A406 WeakPolarHBondContact O-CB 3.47Å; L402-A406 PolarHBondContact O-N 2.89Å; C403-A406 PolarHBondContact O-N 2.71Å; L404-A406 VanDerWaalsContact C-N 3.29Å; L404-A406 PolarHBondContact O-N 3.03Å; A406-L409 WeakPolarHBondContact O-CB 3.33Å; A406-L409 PolarHBondContact O-N 2.89Å; A406-L410 WeakPolarHBondContact O-CG 3.38Å; A406-L410 PolarHBondContact O-N 3.26Å
407	V	74.5	Confident	68.7	Low	46 Å²	46	36.1 Å²	36.1	28%	0.279	18%	0.182	S	C	.	.	H	α-helix	trans	-62.6	-45.6	171.9	171.6	0	0	0	0	110.5	L367 C403 L404 L409 L410 V411	L367-V407 HydrophobicContact CD2-CG2 4.24Å; C403-V407 WeakPolarHBondContact O-CG2 3.49Å; C403-V407 PolarHBondContact O-N 2.87Å; L404-V407 PolarHBondContact O-N 3.4Å; V407-L409 VanDerWaalsContact C-N 3.25Å; V407-L409 PolarHBondContact O-N 3.49Å; V407-L410 PolarHBondContact O-N 3.15Å; V407-V411 HydrophobicContact CG1-CG2 4.12Å; V407-V411 WeakPolarHBondContact O-CB 3.46Å; V407-V411 WeakPolarHBondContact O-CG2 3.19Å; V407-V411 PolarHBondContact O-N 3.19Å
408	L	72.1	Confident	68.7	Low	13 Å²	13	36.9 Å²	36.9	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-40.5	174.9	-74.8	170.3	0	0	0	111.4	L121 F180 L404 A405 V411 S412 A425	L121-L408 HydrophobicContact CD1-CD1 3.94Å; L121-L408 HydrophobicContact CD1-CD2 4.4Å; L121-L408 HydrophobicContact CD2-CD1 4.14Å; F180-L408 HydrophobicContact CE2-CD2 4.22Å; F180-L408 HydrophobicContact CZ-CD2 4.24Å; L404-L408 HydrophobicContact CG-CD1 4.39Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.27Å; A405-L408 PolarHBondContact O-N 3.41Å; L408-V411 PolarHBondContact O-N 2.97Å; L408-S412 VanDerWaalsContact O-CB 3.29Å; L408-S412 WeakPolarHBondContact O-CB 3.44Å; L408-S412 PolarHBondContact O-N 3.21Å; L408-S412 PolarHBondContact O-OG 3.35Å; L408-A425 HydrophobicContact CD1-CB 3.94Å
409	L	77.1	Confident	68.5	Low	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-50.5	175.5	-174.1	59.5	0	0	0	111.4	L359 A363 A405 A406 V407 V411 S412 L413 S422 I477 I481	L359-L409 HydrophobicContact CD2-CD1 4.45Å; A363-L409 HydrophobicContact CB-CB 4.27Å; A363-L409 HydrophobicContact CB-CD2 3.82Å; A363-L409 HydrophobicContact CB-CG 4.1Å; A405-L409 WeakPolarHBondContact O-CB 3.36Å; A405-L409 PolarHBondContact O-N 3.17Å; A406-L409 WeakPolarHBondContact O-CB 3.33Å; A406-L409 PolarHBondContact O-N 2.89Å; V407-L409 VanDerWaalsContact C-N 3.25Å; V407-L409 PolarHBondContact O-N 3.49Å; L409-V411 VanDerWaalsContact C-N 3.32Å; L409-V411 PolarHBondContact O-N 3.49Å; L409-S412 WeakPolarHBondContact CA-OG 3.46Å; L409-S412 PolarHBondContact O-N 2.64Å; L409-S412 VanDerWaalsContact O-N 3.12Å; L409-S412 PolarHBondContact O-OG 3.44Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 2.96Å; L409-S422 WeakPolarHBondContact CA-OG 3.38Å; L409-S422 VanDerWaalsContact CD1-OG 3.27Å; L409-S422 WeakPolarHBondContact CD1-OG 3.2Å; L409-I477 HydrophobicContact CD2-CD1 4.34Å; L409-I477 HydrophobicContact CD2-CG2 3.92Å; L409-I481 HydrophobicContact CD1-CD1 3.84Å
410	L	78	Confident	68.1	Low	43 Å²	43	38.6 Å²	38.6	23%	0.225	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-41.8	176.7	-72.3	173.8	0	0	0	112.7	K360 A363 L367 A406 V407 S412 L413	K360-L410 HydrophobicContact CG-CD2 4.19Å; A363-L410 HydrophobicContact CB-CD2 3.69Å; A363-L410 HydrophobicContact CB-CG 3.71Å; L367-L410 HydrophobicContact CD1-CD1 3.77Å; A406-L410 WeakPolarHBondContact O-CG 3.38Å; A406-L410 PolarHBondContact O-N 3.26Å; V407-L410 PolarHBondContact O-N 3.15Å; L410-S412 VanDerWaalsContact C-N 3.34Å; L410-L413 HydrophobicContact CD2-CD1 4.41Å; L410-L413 WeakPolarHBondContact O-CB 3.19Å; L410-L413 PolarHBondContact O-N 3.49Å
411	V	71.2	Confident	67.9	Low	30 Å²	30	35.9 Å²	35.9	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-36.5	178.3	176.9	0	0	0	0	110.4	F180 V407 L408 L409 L413 K414 Y415 L418	F180-V411 HydrophobicContact CE1-CB 4.4Å; F180-V411 HydrophobicContact CE1-CG1 3.93Å; F180-V411 HydrophobicContact CE1-CG2 3.99Å; F180-V411 HydrophobicContact CZ-CB 4.44Å; F180-V411 HydrophobicContact CZ-CG1 3.88Å; F180-V411 HydrophobicContact CZ-CG2 4.49Å; V407-V411 HydrophobicContact CG1-CG2 4.12Å; V407-V411 WeakPolarHBondContact O-CB 3.46Å; V407-V411 WeakPolarHBondContact O-CG2 3.19Å; V407-V411 PolarHBondContact O-N 3.19Å; L408-V411 PolarHBondContact O-N 2.97Å; L409-V411 VanDerWaalsContact C-N 3.32Å; L409-V411 PolarHBondContact O-N 3.49Å; V411-L413 VanDerWaalsContact C-N 3.29Å; V411-L413 PolarHBondContact O-N 3.38Å; V411-K414 PolarHBondContact O-N 3.48Å; V411-K414 VanDerWaalsContact O-N 3.11Å; V411-Y415 HydrophobicContact CG1-CD2 3.67Å; V411-Y415 HydrophobicContact CG1-CE2 4.09Å; V411-Y415 WeakPolarHBondContact O-CD2 3.38Å; V411-Y415 PolarHBondContact O-N 2.84Å; V411-L418 HydrophobicContact CG1-CD1 3.79Å
412	S	69	Low	67.8	Low	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-27.3	175	76.2	0	0	0	0	113.9	L408 L409 L410 K414 Y415 E416	L408-S412 VanDerWaalsContact O-CB 3.29Å; L408-S412 WeakPolarHBondContact O-CB 3.44Å; L408-S412 PolarHBondContact O-N 3.21Å; L408-S412 PolarHBondContact O-OG 3.35Å; L409-S412 WeakPolarHBondContact CA-OG 3.46Å; L409-S412 PolarHBondContact O-N 2.64Å; L409-S412 VanDerWaalsContact O-N 3.12Å; L409-S412 PolarHBondContact O-OG 3.44Å; L410-S412 VanDerWaalsContact C-N 3.34Å; S412-K414 VanDerWaalsContact C-N 3.26Å; S412-K414 PolarHBondContact O-N 3.42Å; S412-Y415 CarbonylContact O-C 3.53Å; S412-Y415 PolarHBondContact O-N 3.12Å; S412-Y415 VanDerWaalsContact O-O 3.12Å; S412-E416 PolarHBondContact O-N 3.32Å
413	L	71.7	Confident	67.3	Low	39 Å²	39	35.4 Å²	35.4	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-29.2	171.9	-64.2	176.3	0	0	0	112.2	L359 K360 L409 L410 V411	L359-L413 HydrophobicContact CB-CD1 4.23Å; L359-L413 HydrophobicContact CB-CD2 3.8Å; L359-L413 HydrophobicContact CD1-CD2 3.88Å; K360-L413 HydrophobicContact CB-CD1 3.87Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 2.96Å; L410-L413 HydrophobicContact CD2-CD1 4.41Å; L410-L413 WeakPolarHBondContact O-CB 3.19Å; L410-L413 PolarHBondContact O-N 3.49Å; V411-L413 VanDerWaalsContact C-N 3.29Å; V411-L413 PolarHBondContact O-N 3.38Å
414	K	65	Low	66.7	Low	154 Å²	154	37.2 Å²	37.2	67%	0.67	18%	0.183	S	C	*	.	H	α-helix	trans	-84.2	-35.2	173	-172.4	177.8	177.7	-173.7	0	112	V411 S412	V411-K414 PolarHBondContact O-N 3.48Å; V411-K414 VanDerWaalsContact O-N 3.11Å; S412-K414 VanDerWaalsContact C-N 3.26Å; S412-K414 PolarHBondContact O-N 3.42Å
415	Y	59.2	Low	66.4	Low	58 Å²	58	34.4 Å²	34.4	23%	0.227	17%	0.171	C	C	.	.			trans	-123.4	92.9	-176.6	-54	-68.9	0	0	0	110.9	T188 V411 S412 V417 L418	T188-Y415 HydrophobicContact CG2-CE1 3.51Å; T188-Y415 WeakPolarHBondContact CG2-OH 3.47Å; V411-Y415 HydrophobicContact CG1-CD2 3.67Å; V411-Y415 HydrophobicContact CG1-CE2 4.09Å; V411-Y415 WeakPolarHBondContact O-CD2 3.38Å; V411-Y415 PolarHBondContact O-N 2.84Å; S412-Y415 CarbonylContact O-C 3.53Å; S412-Y415 PolarHBondContact O-N 3.12Å; S412-Y415 VanDerWaalsContact O-O 3.12Å; Y415-V417 PolarHBondContact O-N 3.02Å; Y415-L418 HydrophobicContact CD2-CD1 4.24Å; Y415-L418 HydrophobicContact CG-CD1 4.45Å; Y415-L418 WeakPolarHBondContact O-CB 3.46Å; Y415-L418 PolarHBondContact O-N 3.04Å
416	E	57.8	Low	66.2	Low	114 Å²	114	34.2 Å²	34.2	53%	0.533	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-54	-29.2	-175.9	-64.6	176.5	174.5	0	0	114	L352 S412 L418 L419	L352-E416 HydrophobicContact CD2-CG 4.36Å; S412-E416 PolarHBondContact O-N 3.32Å; E416-L418 PolarHBondContact O-N 3.32Å; E416-L418 VanDerWaalsContact O-N 3.13Å; E416-L419 VanDerWaalsContact O-CB 3.26Å; E416-L419 WeakPolarHBondContact O-CB 3.17Å; E416-L419 PolarHBondContact O-N 3.38Å
417	V	55.4	Low	65.4	Low	38 Å²	38	36 Å²	36	23%	0.23	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.6	-25	176.3	-176.1	0	0	0	0	112	R110 V114 Y415	R110-V417 HydrophobicContact CB-CG1 4.3Å; R110-V417 HydrophobicContact CG-CG1 4.46Å; V114-V417 HydrophobicContact CG2-CG1 4.39Å; Y415-V417 PolarHBondContact O-N 3.02Å
418	L	62.6	Low	64.6	Low	20 Å²	20	34.9 Å²	34.9	11%	0.105	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-90.5	-1.9	-179.1	-54.9	-178.1	0	0	0	113.4	I113 I117 V411 Y415 E416 L420 C421 S422	I113-L418 HydrophobicContact CG2-CD2 4.5Å; I117-L418 HydrophobicContact CD1-CD1 4.49Å; I117-L418 HydrophobicContact CD1-CD2 3.17Å; I117-L418 HydrophobicContact CD1-CG 4.45Å; V411-L418 HydrophobicContact CG1-CD1 3.79Å; Y415-L418 HydrophobicContact CD2-CD1 4.24Å; Y415-L418 HydrophobicContact CG-CD1 4.45Å; Y415-L418 WeakPolarHBondContact O-CB 3.46Å; Y415-L418 PolarHBondContact O-N 3.04Å; E416-L418 PolarHBondContact O-N 3.32Å; E416-L418 VanDerWaalsContact O-N 3.13Å; L418-L420 PolarHBondContact O-N 3.18Å; L418-C421 WeakPolarHBondContact O-CB 3.13Å; L418-C421 PolarHBondContact O-N 2.71Å; L418-C421 VanDerWaalsContact O-N 3.12Å; L418-S422 PolarHBondContact O-N 3.01Å
419	L	62.9	Low	64.3	Low	22 Å²	22	34.6 Å²	34.6	12%	0.115	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-35.1	-179.5	-169.2	69.7	0	0	0	111.7	E416 S422 F423 I481	E416-L419 VanDerWaalsContact O-CB 3.26Å; E416-L419 WeakPolarHBondContact O-CB 3.17Å; E416-L419 PolarHBondContact O-N 3.38Å; L419-S422 PolarHBondContact O-N 3.04Å; L419-F423 WeakPolarHBondContact O-CB 3.21Å; L419-F423 PolarHBondContact O-N 2.99Å; L419-I481 HydrophobicContact CD1-CG2 4.5Å; L419-I481 HydrophobicContact CG-CG2 4.45Å
420	L	57.6	Low	63.6	Low	25 Å²	25	35 Å²	35	13%	0.131	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-46.8	172.5	-73.4	172.4	0	0	0	111.9	W342 L418 S422 F423 F424 L485	W342-L420 HydrophobicContact CD2-CD1 3.78Å; W342-L420 VanDerWaalsContact CE2-CD1 3.42Å; W342-L420 HydrophobicContact CE3-CD1 3.87Å; W342-L420 HydrophobicContact CE3-CD2 4.44Å; W342-L420 HydrophobicContact CE3-CG 4.41Å; W342-L420 HydrophobicContact CH2-CD1 3.4Å; W342-L420 HydrophobicContact CH2-CD2 3.82Å; W342-L420 HydrophobicContact CH2-CG 3.3Å; W342-L420 HydrophobicContact CZ2-CD1 3.24Å; W342-L420 HydrophobicContact CZ2-CG 3.59Å; W342-L420 HydrophobicContact CZ3-CD1 3.69Å; W342-L420 HydrophobicContact CZ3-CD2 3.75Å; W342-L420 HydrophobicContact CZ3-CG 3.73Å; L418-L420 PolarHBondContact O-N 3.18Å; L420-S422 VanDerWaalsContact C-N 3.25Å; L420-S422 PolarHBondContact O-N 2.94Å; L420-F423 WeakPolarHBondContact O-CB 3.39Å; L420-F423 PolarHBondContact O-N 3.08Å; L420-F424 WeakPolarHBondContact O-CD2 3.49Å; L420-F424 PolarHBondContact O-N 2.84Å; L420-L485 HydrophobicContact CD2-CD2 4.29Å
421	C	61.4	Low	62.6	Low	2 Å²	2	34 Å²	34	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-42.2	177.8	-58.1	0	0	0	0	110.7	L418 F424 A425	L418-C421 WeakPolarHBondContact O-CB 3.13Å; L418-C421 PolarHBondContact O-N 2.71Å; L418-C421 VanDerWaalsContact O-N 3.12Å; C421-F424 PolarHBondContact O-N 3.22Å; C421-A425 VanDerWaalsContact O-CB 3.3Å; C421-A425 WeakPolarHBondContact O-CB 3.28Å; C421-A425 PolarHBondContact O-N 2.84Å
422	S	65.4	Low	62	Low	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-48.1	174.9	-177.2	0	0	0	0	111.3	L409 L418 L419 L420 F424 A425 Q426	L409-S422 WeakPolarHBondContact CA-OG 3.38Å; L409-S422 VanDerWaalsContact CD1-OG 3.27Å; L409-S422 WeakPolarHBondContact CD1-OG 3.2Å; L418-S422 PolarHBondContact O-N 3.01Å; L419-S422 PolarHBondContact O-N 3.04Å; L420-S422 VanDerWaalsContact C-N 3.25Å; L420-S422 PolarHBondContact O-N 2.94Å; S422-F424 PolarHBondContact O-N 3.44Å; S422-A425 PolarHBondContact O-N 2.83Å; S422-Q426 WeakPolarHBondContact O-CB 3.25Å; S422-Q426 WeakPolarHBondContact O-CG 3.36Å; S422-Q426 PolarHBondContact O-N 3.41Å
423	F	63.4	Low	61.6	Low	21 Å²	21	33.2 Å²	33.2	9%	0.092	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-49.5	176.4	-179.5	-107	0	0	0	112.4	I269 L419 L420 A425 Q426 S427 I481 T482 L485	I269-F423 HydrophobicContact CD1-CE1 4.47Å; I269-F423 HydrophobicContact CD1-CZ 4.02Å; L419-F423 WeakPolarHBondContact O-CB 3.21Å; L419-F423 PolarHBondContact O-N 2.99Å; L420-F423 WeakPolarHBondContact O-CB 3.39Å; L420-F423 PolarHBondContact O-N 3.08Å; F423-A425 PolarHBondContact O-N 2.97Å; F423-Q426 PolarHBondContact O-N 3.31Å; F423-S427 WeakPolarHBondContact O-CB 3.31Å; F423-S427 PolarHBondContact O-N 3.11Å; F423-S427 PolarHBondContact O-OG 3.33Å; F423-I481 HydrophobicContact CB-CG2 3.82Å; F423-I481 HydrophobicContact CD2-CB 3.96Å; F423-I481 HydrophobicContact CD2-CG2 3.51Å; F423-I481 HydrophobicContact CE2-CG2 4.48Å; F423-I481 HydrophobicContact CG-CG2 4.03Å; F423-T482 WeakPolarHBondContact CE2-OG1 3.37Å; F423-L485 HydrophobicContact CB-CD1 4.38Å; F423-L485 HydrophobicContact CD1-CD1 4.24Å; F423-L485 HydrophobicContact CD2-CD1 4.12Å; F423-L485 HydrophobicContact CE2-CD1 4.5Å; F423-L485 HydrophobicContact CG-CD1 3.97Å
424	F	60.8	Low	60.7	Low	72 Å²	72	34.9 Å²	34.9	32%	0.316	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-44.2	178.4	-77.9	-64.3	0	0	0	111.5	I99 L420 C421 S422 Q426 S427 A428	I99-F424 HydrophobicContact CD1-CD2 4.45Å; I99-F424 HydrophobicContact CD1-CE2 4.5Å; L420-F424 WeakPolarHBondContact O-CD2 3.49Å; L420-F424 PolarHBondContact O-N 2.84Å; C421-F424 PolarHBondContact O-N 3.22Å; S422-F424 PolarHBondContact O-N 3.44Å; F424-Q426 PolarHBondContact O-N 3.44Å; F424-S427 WeakPolarHBondContact CA-OG 3.35Å; F424-S427 PolarHBondContact O-N 3.4Å; F424-S427 PolarHBondContact O-OG 2.92Å; F424-A428 WeakPolarHBondContact O-CB 3.46Å; F424-A428 PolarHBondContact O-N 2.86Å
425	A	63.7	Low	60.1	Low	19 Å²	19	30.4 Å²	30.4	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-44	176.3	0	0	0	0	0	112.2	L408 C421 S422 F423 A428 L429	L408-A425 HydrophobicContact CD1-CB 3.94Å; C421-A425 VanDerWaalsContact O-CB 3.3Å; C421-A425 WeakPolarHBondContact O-CB 3.28Å; C421-A425 PolarHBondContact O-N 2.84Å; S422-A425 PolarHBondContact O-N 2.83Å; F423-A425 PolarHBondContact O-N 2.97Å; A425-A428 PolarHBondContact O-N 2.74Å; A425-L429 WeakPolarHBondContact O-CB 3.16Å; A425-L429 PolarHBondContact O-N 3.34Å
426	Q	67.1	Low	60	Low	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-40.8	178.2	-65.6	-70.4	-11	0	0	111.7	A405 S422 F423 F424 L429 L430 I474 I477 I481	A405-Q426 PolarHBondContact O-NE2 2.91Å; A405-Q426 VanDerWaalsContact O-NE2 3.08Å; S422-Q426 WeakPolarHBondContact O-CB 3.25Å; S422-Q426 WeakPolarHBondContact O-CG 3.36Å; S422-Q426 PolarHBondContact O-N 3.41Å; F423-Q426 PolarHBondContact O-N 3.31Å; F424-Q426 PolarHBondContact O-N 3.44Å; Q426-L429 PolarHBondContact O-N 2.85Å; Q426-L430 WeakPolarHBondContact O-CB 3.27Å; Q426-L430 PolarHBondContact O-N 2.81Å; Q426-I474 WeakPolarHBondContact O-CG2 3.46Å; Q426-I477 HydrophobicContact CB-CG2 4.5Å; Q426-I477 HydrophobicContact CG-CG2 4.05Å; Q426-I481 HydrophobicContact CG-CD1 4.36Å
427	S	57.5	Low	59.9	Low	36 Å²	36	23.5 Å²	23.5	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-65.6	-40.3	176.8	69.1	0	0	0	0	112.6	F423 F424 L430 A431	F423-S427 WeakPolarHBondContact O-CB 3.31Å; F423-S427 PolarHBondContact O-N 3.11Å; F423-S427 PolarHBondContact O-OG 3.33Å; F424-S427 WeakPolarHBondContact CA-OG 3.35Å; F424-S427 PolarHBondContact O-N 3.4Å; F424-S427 PolarHBondContact O-OG 2.92Å; S427-L430 PolarHBondContact O-N 2.88Å; S427-A431 PolarHBondContact O-N 3.49Å
428	A	58.6	Low	59.7	Low	23 Å²	23	26.8 Å²	26.8	19%	0.19	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-42.1	174.7	0	0	0	0	0	111	V88 F424 A425 A431 I432	V88-A428 HydrophobicContact CG1-CB 4.24Å; F424-A428 WeakPolarHBondContact O-CB 3.46Å; F424-A428 PolarHBondContact O-N 2.86Å; A425-A428 PolarHBondContact O-N 2.74Å; A428-A431 PolarHBondContact O-N 2.93Å; A428-I432 WeakPolarHBondContact O-CG1 3.43Å; A428-I432 PolarHBondContact O-N 2.73Å
429	L	66	Low	59.3	Low	7 Å²	7	28.4 Å²	28.4	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-38.8	177.2	-170.8	56.9	0	0	0	112.6	L401 L402 A405 A425 Q426 A431 I432 L433 I474	L401-L429 HydrophobicContact CB-CD1 3.85Å; L401-L429 HydrophobicContact CD1-CD1 4.44Å; L402-L429 HydrophobicContact CD2-CD2 3.71Å; L402-L429 HydrophobicContact CD2-CG 4.43Å; L402-L429 HydrophobicContact CG-CD2 4.23Å; A405-L429 HydrophobicContact CB-CD2 3.64Å; A425-L429 WeakPolarHBondContact O-CB 3.16Å; A425-L429 PolarHBondContact O-N 3.34Å; Q426-L429 PolarHBondContact O-N 2.85Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 2.77Å; L429-I432 HydrophobicContact CD1-CD1 3.92Å; L429-I432 WeakPolarHBondContact O-CB 3.42Å; L429-I432 PolarHBondContact O-N 3.47Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 2.73Å; L429-L433 VanDerWaalsContact O-N 3.08Å; L429-I474 HydrophobicContact CB-CD1 4.26Å; L429-I474 HydrophobicContact CD2-CD1 3.69Å; L429-I474 HydrophobicContact CG-CD1 3.61Å
430	L	61.9	Low	58.9	Low	9 Å²	9	27.9 Å²	27.9	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-44.4	173.1	-174.5	56.1	0	0	0	111.2	Q426 S427 I432 L433 L434 I474 T475 C478	Q426-L430 WeakPolarHBondContact O-CB 3.27Å; Q426-L430 PolarHBondContact O-N 2.81Å; S427-L430 PolarHBondContact O-N 2.88Å; L430-I432 PolarHBondContact O-N 3.22Å; L430-L433 PolarHBondContact O-N 2.8Å; L430-L434 HydrophobicContact CD1-CD1 4.24Å; L430-L434 HydrophobicContact CD1-CG 4.25Å; L430-L434 HydrophobicContact CG-CD1 4Å; L430-L434 HydrophobicContact CG-CG 4.44Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 2.99Å; L430-I474 HydrophobicContact CB-CG2 3.66Å; L430-I474 HydrophobicContact CD1-CB 4.11Å; L430-I474 HydrophobicContact CD1-CG2 4.12Å; L430-I474 HydrophobicContact CG-CG2 4.34Å; L430-T475 WeakPolarHBondContact CD1-OG1 3.44Å; L430-C478 HydrophobicContact CD2-CB 4.37Å
431	A	56.2	Low	58.6	Low	23 Å²	23	28.1 Å²	28.1	19%	0.19	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-41.5	176.9	0	0	0	0	0	112.1	S427 A428 L429 L433 I435	S427-A431 PolarHBondContact O-N 3.49Å; A428-A431 PolarHBondContact O-N 2.93Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 2.77Å; A431-L433 PolarHBondContact O-N 3.4Å; A431-I435 WeakPolarHBondContact O-CB 3.17Å; A431-I435 WeakPolarHBondContact O-CD1 3.47Å; A431-I435 VanDerWaalsContact O-CG1 3.24Å; A431-I435 WeakPolarHBondContact O-CG1 3.41Å; A431-I435 PolarHBondContact O-N 2.9Å
432	I	58.3	Low	58.1	Low	11 Å²	11	31.6 Å²	31.6	6%	0.056	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-54.2	173.3	-66.1	163.6	0	0	0	110	V88 L401 A428 L429 L430 L434 I435 Q436	V88-I432 HydrophobicContact CB-CD1 3.99Å; V88-I432 HydrophobicContact CB-CG1 3.53Å; V88-I432 HydrophobicContact CG1-CD1 3.54Å; V88-I432 HydrophobicContact CG1-CG1 3.5Å; V88-I432 VanDerWaalsContact CG1-CG1 3.5Å; V88-I432 HydrophobicContact CG2-CB 4.2Å; V88-I432 HydrophobicContact CG2-CD1 4.2Å; V88-I432 HydrophobicContact CG2-CG1 3.18Å; L401-I432 HydrophobicContact CD1-CD1 3.99Å; A428-I432 WeakPolarHBondContact O-CG1 3.43Å; A428-I432 PolarHBondContact O-N 2.73Å; L429-I432 HydrophobicContact CD1-CD1 3.92Å; L429-I432 WeakPolarHBondContact O-CB 3.42Å; L429-I432 PolarHBondContact O-N 3.47Å; L430-I432 PolarHBondContact O-N 3.22Å; I432-L434 PolarHBondContact O-N 2.85Å; I432-I435 PolarHBondContact O-N 2.96Å; I432-Q436 HydrophobicContact CG2-CG 4.33Å; I432-Q436 WeakPolarHBondContact O-CB 3.35Å; I432-Q436 VanDerWaalsContact O-CG 3.27Å; I432-Q436 WeakPolarHBondContact O-CG 3.43Å; I432-Q436 PolarHBondContact O-N 3.44Å
433	L	60.3	Low	57.7	Low	3 Å²	3	33 Å²	33	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-34.9	-171.6	-65.2	177.1	0	0	0	112.4	K398 L429 L430 A431 Q436 L437 V470 C471 I474	K398-L433 HydrophobicContact CD-CD2 4.02Å; K398-L433 HydrophobicContact CG-CD2 4.36Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 2.73Å; L429-L433 VanDerWaalsContact O-N 3.08Å; L430-L433 PolarHBondContact O-N 2.8Å; A431-L433 PolarHBondContact O-N 3.4Å; L433-Q436 PolarHBondContact O-N 3.18Å; L433-L437 PolarHBondContact O-N 3.17Å; L433-V470 HydrophobicContact CD1-CB 4.31Å; L433-V470 HydrophobicContact CD1-CG1 3.38Å; L433-C471 WeakPolarHBondContact CB-SG 3.49Å; L433-I474 HydrophobicContact CD1-CD1 3.45Å; L433-I474 VanDerWaalsContact CD1-CD1 3.45Å; L433-I474 HydrophobicContact CD1-CG1 4.45Å
434	L	53.9	Low	57.3	Low	74 Å²	74	33.6 Å²	33.6	39%	0.387	20%	0.197	S	C	.	.	H	α-helix	trans	-66.3	-44.5	174.9	-74	173.5	0	0	0	112	L430 I432 Q436 L437	L430-L434 HydrophobicContact CD1-CD1 4.24Å; L430-L434 HydrophobicContact CD1-CG 4.25Å; L430-L434 HydrophobicContact CG-CD1 4Å; L430-L434 HydrophobicContact CG-CG 4.44Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 2.99Å; I432-L434 PolarHBondContact O-N 2.85Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 2.84Å; L434-L437 VanDerWaalsContact O-CB 3.31Å; L434-L437 WeakPolarHBondContact O-CB 3.18Å; L434-L437 PolarHBondContact O-N 3.3Å
435	I	52.8	Low	56.9	Low	61 Å²	61	35 Å²	35	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-39.9	176.6	-67.6	166.4	0	0	0	110.4	L87 A431 I432 L437	L87-I435 HydrophobicContact CD2-CD1 4.21Å; A431-I435 WeakPolarHBondContact O-CB 3.17Å; A431-I435 WeakPolarHBondContact O-CD1 3.47Å; A431-I435 VanDerWaalsContact O-CG1 3.24Å; A431-I435 WeakPolarHBondContact O-CG1 3.41Å; A431-I435 PolarHBondContact O-N 2.9Å; I432-I435 PolarHBondContact O-N 2.96Å; I435-L437 VanDerWaalsContact C-N 3.29Å; I435-L437 PolarHBondContact O-N 3.46Å
436	Q	56.8	Low	56.4	Low	6 Å²	6	37.7 Å²	37.7	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-77.5	-13.4	179.8	-69.2	178.4	-19	0	0	113.5	S84 K398 I432 L433 L434 D438 S439 D440	S84-Q436 WeakPolarHBondContact OG-CG 3.48Å; S84-Q436 PolarHBondContact OG-NE2 3.1Å; S84-Q436 VanDerWaalsContact OG-NE2 3.13Å; K398-Q436 VanDerWaalsContact CD-OE1 3.31Å; I432-Q436 HydrophobicContact CG2-CG 4.33Å; I432-Q436 WeakPolarHBondContact O-CB 3.35Å; I432-Q436 VanDerWaalsContact O-CG 3.27Å; I432-Q436 WeakPolarHBondContact O-CG 3.43Å; I432-Q436 PolarHBondContact O-N 3.44Å; L433-Q436 PolarHBondContact O-N 3.18Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 2.84Å; Q436-D438 VanDerWaalsContact C-N 3.27Å; Q436-D438 PolarHBondContact O-N 3.43Å; Q436-S439 WeakPolarHBondContact CA-OG 3.24Å; Q436-S439 PolarHBondContact O-N 3.2Å; Q436-S439 PolarHBondContact O-OG 3Å; Q436-D440 WeakPolarHBondContact O-CB 3.2Å; Q436-D440 PolarHBondContact O-N 2.93Å
437	L	56.3	Low	55.7	Low	20 Å²	20	41.9 Å²	41.9	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-38.6	178.5	-156	83.9	0	0	0	110.9	F232 L433 L434 I435 D440 A441	F232-L437 HydrophobicContact CE2-CD2 3.9Å; F232-L437 HydrophobicContact CZ-CD2 4.22Å; F232-L437 HydrophobicContact CZ-CG 4.4Å; L433-L437 PolarHBondContact O-N 3.17Å; L434-L437 VanDerWaalsContact O-CB 3.31Å; L434-L437 WeakPolarHBondContact O-CB 3.18Å; L434-L437 PolarHBondContact O-N 3.3Å; I435-L437 VanDerWaalsContact C-N 3.29Å; I435-L437 PolarHBondContact O-N 3.46Å; L437-D440 PolarHBondContact O-N 3.06Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.36Å
438	D	50.5	Low	55.3	Low	108 Å²	108	45 Å²	45	58%	0.578	24%	0.242	S	C	*	.	H	α-helix	trans	-67.3	-41.8	177.3	-77.8	-11.5	0	0	0	111.7	Q436 A441 T442	Q436-D438 VanDerWaalsContact C-N 3.27Å; Q436-D438 PolarHBondContact O-N 3.43Å; D438-A441 PolarHBondContact O-N 2.77Å; D438-T442 WeakPolarHBondContact O-CB 3.49Å; D438-T442 PolarHBondContact O-N 2.89Å; D438-T442 PolarHBondContact O-OG1 3.47Å
439	S	53.6	Low	54.8	Low	54 Å²	54	48.7 Å²	48.7	38%	0.378	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-41.8	176.6	58.5	0	0	0	0	111.9	Q436 T442 L443	Q436-S439 WeakPolarHBondContact CA-OG 3.24Å; Q436-S439 PolarHBondContact O-N 3.2Å; Q436-S439 PolarHBondContact O-OG 3Å; S439-T442 PolarHBondContact O-N 3.38Å; S439-L443 WeakPolarHBondContact O-CB 3.45Å; S439-L443 PolarHBondContact O-N 2.9Å
440	D	55.9	Low	53.7	Low	11 Å²	11	55.8 Å²	55.8	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-40	178.7	-66.6	-7.6	0	0	0	110.2	Y391 K398 Q436 L437 L443 M444 N467	Y391-D440 WeakPolarHBondContact CE2-OD1 3.23Å; K398-D440 IonicContact NZ-OD1 2.75Å; K398-D440 PolarHBondContact NZ-OD1 3.46Å; K398-D440 IonicContact NZ-OD2 3.74Å; K398-D440 PolarHBondContact NZ-OD2 3.35Å; Q436-D440 WeakPolarHBondContact O-CB 3.2Å; Q436-D440 PolarHBondContact O-N 2.93Å; L437-D440 PolarHBondContact O-N 3.06Å; D440-L443 PolarHBondContact O-N 3.22Å; D440-M444 WeakPolarHBondContact O-CB 3.47Å; D440-M444 VanDerWaalsContact O-CG 3.27Å; D440-M444 WeakPolarHBondContact O-CG 3.43Å; D440-M444 PolarHBondContact O-N 3.43Å; D440-N467 PolarHBondContact OD2-ND2 3.46Å
441	A	50.1	Low	52.9	Low	29 Å²	29	61.3 Å²	61.3	24%	0.24	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-41.7	175.3	0	0	0	0	0	112.4	F232 L437 D438 M444 H445	F232-A441 HydrophobicContact CE1-CB 3.98Å; F232-A441 HydrophobicContact CZ-CB 4Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.36Å; D438-A441 PolarHBondContact O-N 2.77Å; A441-M444 PolarHBondContact O-N 2.69Å; A441-H445 WeakPolarHBondContact O-CB 3.39Å; A441-H445 PolarHBondContact O-N 3.21Å
442	T	52.2	Low	52.6	Low	76 Å²	76	65.5 Å²	65.5	47%	0.466	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-42.8	177.8	-50.7	0	0	0	0	111.3	D438 S439 H445 N446	D438-T442 WeakPolarHBondContact O-CB 3.49Å; D438-T442 PolarHBondContact O-N 2.89Å; D438-T442 PolarHBondContact O-OG1 3.47Å; S439-T442 PolarHBondContact O-N 3.38Å; T442-H445 PolarHBondContact O-N 3.34Å; T442-N446 VanDerWaalsContact O-CG 3.26Å; T442-N446 PolarHBondContact O-N 3.17Å; T442-N446 PolarHBondContact O-ND2 2.9Å
443	L	56	Low	52.5	Low	31 Å²	31	70.5 Å²	70.5	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-61.8	-46.5	174.3	-83.1	164.9	0	0	0	111.3	Y391 S439 D440 H445 N446 Y447	Y391-L443 HydrophobicContact CD2-CD1 3.65Å; Y391-L443 HydrophobicContact CE2-CD1 3.66Å; S439-L443 WeakPolarHBondContact O-CB 3.45Å; S439-L443 PolarHBondContact O-N 2.9Å; D440-L443 PolarHBondContact O-N 3.22Å; L443-H445 VanDerWaalsContact C-N 3.35Å; L443-H445 PolarHBondContact O-N 3.26Å; L443-N446 PolarHBondContact O-N 2.88Å; L443-Y447 HydrophobicContact CD2-CE2 4.43Å; L443-Y447 VanDerWaalsContact O-CD2 3.3Å; L443-Y447 WeakPolarHBondContact O-CD2 3.28Å; L443-Y447 PolarHBondContact O-N 3.23Å
444	M	54.8	Low	52.6	Low	33 Å²	33	73 Å²	73	16%	0.163	40%	0.4	C	S	.	.	H	α-helix	trans	-57.3	-49	175.7	-79.2	-160	159.6	0	0	111.9	D440 A441 N446 Y447 F448 L460 M461	D440-M444 WeakPolarHBondContact O-CB 3.47Å; D440-M444 VanDerWaalsContact O-CG 3.27Å; D440-M444 WeakPolarHBondContact O-CG 3.43Å; D440-M444 PolarHBondContact O-N 3.43Å; A441-M444 PolarHBondContact O-N 2.69Å; M444-N446 VanDerWaalsContact C-N 3.32Å; M444-N446 PolarHBondContact O-N 2.87Å; M444-Y447 PolarHBondContact O-N 3.47Å; M444-Y447 VanDerWaalsContact O-N 3.1Å; M444-F448 HydrophobicContact CB-CD2 4.12Å; M444-F448 HydrophobicContact CB-CE2 3.92Å; M444-F448 HydrophobicContact CG-CE2 4.3Å; M444-F448 WeakPolarHBondContact O-CD2 3.28Å; M444-F448 PolarHBondContact O-N 3.43Å; M444-F448 HydrophobicContact SD-CE2 4.3Å; M444-L460 VanDerWaalsContact CE-C 3.45Å; M444-L460 WeakPolarHBondContact CE-O 3.17Å; M444-M461 VanDerWaalsContact CE-CA 3.42Å
445	H	52.4	Low	53.1	Low	100 Å²	100	73.4 Å²	73.4	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-57.4	-46.1	179.7	-169.5	19.8	0	0	0	111.8	A441 T442 L443 Y447 F448 D449	A441-H445 WeakPolarHBondContact O-CB 3.39Å; A441-H445 PolarHBondContact O-N 3.21Å; T442-H445 PolarHBondContact O-N 3.34Å; L443-H445 VanDerWaalsContact C-N 3.35Å; L443-H445 PolarHBondContact O-N 3.26Å; H445-Y447 VanDerWaalsContact C-N 3.27Å; H445-Y447 PolarHBondContact O-N 3.46Å; H445-F448 PolarHBondContact O-N 3.27Å; H445-D449 IonicContact CE1-OD1 3.79Å; H445-D449 IonicContact CE1-OD2 3.28Å; H445-D449 PolarHBondContact CE1-OD2 3.5Å; H445-D449 VanDerWaalsContact CE1-OD2 3.28Å; H445-D449 IonicContact ND1-OD1 3.91Å; H445-D449 IonicContact ND1-OD2 3.66Å; H445-D449 PolarHBondContact O-N 3.45Å
446	N	54.2	Low	53.5	Low	76 Å²	76	71.9 Å²	71.9	41%	0.406	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-29.6	178.3	-70.4	-21.3	0	0	0	113.3	T442 L443 M444	T442-N446 VanDerWaalsContact O-CG 3.26Å; T442-N446 PolarHBondContact O-N 3.17Å; T442-N446 PolarHBondContact O-ND2 2.9Å; L443-N446 PolarHBondContact O-N 2.88Å; M444-N446 VanDerWaalsContact C-N 3.32Å; M444-N446 PolarHBondContact O-N 2.87Å
447	Y	51.9	Low	53.7	Low	89 Å²	89	72.3 Å²	72.3	35%	0.349	41%	0.406	S	S	.	.	H	α-helix	trans	-85.2	-21.5	177.2	-89	-77.9	0	0	0	113.7	I388 L443 M444 H445 L460	I388-Y447 HydrophobicContact CD1-CE1 4.48Å; I388-Y447 WeakPolarHBondContact CD1-OH 3.45Å; I388-Y447 WeakPolarHBondContact CG1-OH 3.27Å; L443-Y447 HydrophobicContact CD2-CE2 4.43Å; L443-Y447 VanDerWaalsContact O-CD2 3.3Å; L443-Y447 WeakPolarHBondContact O-CD2 3.28Å; L443-Y447 PolarHBondContact O-N 3.23Å; M444-Y447 PolarHBondContact O-N 3.47Å; M444-Y447 VanDerWaalsContact O-N 3.1Å; H445-Y447 VanDerWaalsContact C-N 3.27Å; H445-Y447 PolarHBondContact O-N 3.46Å; Y447-L460 HydrophobicContact CD1-CD1 4.09Å; Y447-L460 HydrophobicContact CD2-CD1 4.16Å; Y447-L460 HydrophobicContact CE1-CD1 4.17Å; Y447-L460 HydrophobicContact CE2-CD1 4.25Å; Y447-L460 HydrophobicContact CG-CD1 4.08Å
448	F	49.5	Very low	54.1	Low	101 Å²	101	77 Å²	77	44%	0.443	43%	0.429	S	S	.	.	H	α-helix	trans	-84.1	-24.7	177.5	-76.9	-62.3	0	0	0	113.4	M444 H445 F450 M461	M444-F448 HydrophobicContact CB-CD2 4.12Å; M444-F448 HydrophobicContact CB-CE2 3.92Å; M444-F448 HydrophobicContact CG-CE2 4.3Å; M444-F448 WeakPolarHBondContact O-CD2 3.28Å; M444-F448 PolarHBondContact O-N 3.43Å; M444-F448 HydrophobicContact SD-CE2 4.3Å; H445-F448 PolarHBondContact O-N 3.27Å; F448-F450 VanDerWaalsContact C-N 3.25Å; F448-F450 PolarHBondContact O-N 3.04Å; F448-M461 HydrophobicContact CE1-CG 4.46Å; F448-M461 HydrophobicContact CE1-SD 3.91Å; F448-M461 HydrophobicContact CZ-CB 3.85Å; F448-M461 HydrophobicContact CZ-CE 4.38Å; F448-M461 HydrophobicContact CZ-CG 3.75Å; F448-M461 HydrophobicContact CZ-SD 3.76Å
449	D	47	Very low	54.9	Low	101 Å²	101	76.6 Å²	76.6	54%	0.54	42%	0.419	S	S	.	.	S	Bend	trans	-76.7	-8.6	-179.5	-78.8	-9.8	0	0	0	113.9	H445	H445-D449 IonicContact CE1-OD1 3.79Å; H445-D449 IonicContact CE1-OD2 3.28Å; H445-D449 PolarHBondContact CE1-OD2 3.5Å; H445-D449 VanDerWaalsContact CE1-OD2 3.28Å; H445-D449 IonicContact ND1-OD1 3.91Å; H445-D449 IonicContact ND1-OD2 3.66Å; H445-D449 PolarHBondContact O-N 3.45Å
450	F	43.9	Very low	55.3	Low	155 Å²	155	74.4 Å²	74.4	68%	0.68	40%	0.403	S	S	*	.	S	Bend	trans	-130.7	114.9	-179.2	-62	-81.7	0	0	0	111.9	F448	F448-F450 VanDerWaalsContact C-N 3.25Å; F448-F450 PolarHBondContact O-N 3.04Å
451	T	44	Very low	55.7	Low	126 Å²	126	76.9 Å²	76.9	77%	0.773	42%	0.415	S	S	*	.	S	Bend	trans	78.7	148.6	161.6	62.9	0	0	0	0	118.3
452	P	50.2	Low	56.4	Low	111 Å²	111	79.2 Å²	79.2	72%	0.721	42%	0.423	S	S	*	.	S	Bend	trans	-53.6	155.8	-179.1	21.8	-34.9	0	0	0	112.2	S454	P452-S454 PolarHBondContact O-N 3.05Å
453	P	56.1	Low	57	Low	115 Å²	115	75.6 Å²	75.6	75%	0.747	40%	0.401	S	S	*	.			trans	-59.9	102.6	-169.2	24.3	-33.5	0	0	0	111	S457	P453-S457 WeakPolarHBondContact CA-OG 3.48Å
454	S	62.2	Low	57.3	Low	57 Å²	57	74.8 Å²	74.8	40%	0.399	40%	0.4	S	S	.	.			trans	-69.7	154.7	166.8	70.2	0	0	0	0	108.9	P452 T456 S457 M458	P452-S454 PolarHBondContact O-N 3.05Å; S454-T456 PolarHBondContact O-N 2.79Å; S454-S457 PolarHBondContact N-OG 3.48Å; S454-S457 PolarHBondContact O-N 3.22Å; S454-S457 PolarHBondContact O-OG 3.48Å; S454-S457 PolarHBondContact OG-N 3.36Å; S454-S457 VanDerWaalsContact OG-N 3.11Å; S454-S457 PolarHBondContact OG-OG 2.83Å; S454-M458 PolarHBondContact O-N 3.22Å
455	S	64.9	Low	57.6	Low	81 Å²	81	80 Å²	80	57%	0.566	42%	0.419	S	S	*	.	H	α-helix	trans	-55.6	-25.3	173.4	58.5	0	0	0	0	112.5	R459	S455-R459 WeakPolarHBondContact O-CD 3.39Å; S455-R459 WeakPolarHBondContact O-CG 3.44Å; S455-R459 PolarHBondContact O-N 3.33Å
456	T	60.6	Low	58.1	Low	30 Å²	30	75.9 Å²	75.9	18%	0.184	40%	0.402	C	S	.	.	H	α-helix	trans	-75.7	-41.8	176	-51	0	0	0	0	111.8	N383 I388 S454 M458 R459 L460	N383-T456 WeakPolarHBondContact ND2-CG2 3.5Å; I388-T456 HydrophobicContact CD1-CG2 3.95Å; S454-T456 PolarHBondContact O-N 2.79Å; T456-M458 VanDerWaalsContact C-N 3.35Å; T456-R459 PolarHBondContact O-N 3.23Å; T456-L460 HydrophobicContact CG2-CD1 4.18Å; T456-L460 PolarHBondContact O-N 2.91Å
457	S	61.3	Low	58.4	Low	15 Å²	15	72.4 Å²	72.4	11%	0.105	38%	0.384	C	S	.	.	H	α-helix	trans	-68	-35.1	176.6	63	0	0	0	0	112	P453 S454 R459 L460 M461	P453-S457 WeakPolarHBondContact CA-OG 3.48Å; S454-S457 PolarHBondContact N-OG 3.48Å; S454-S457 PolarHBondContact O-N 3.22Å; S454-S457 PolarHBondContact O-OG 3.48Å; S454-S457 PolarHBondContact OG-N 3.36Å; S454-S457 VanDerWaalsContact OG-N 3.11Å; S454-S457 PolarHBondContact OG-OG 2.83Å; S457-R459 VanDerWaalsContact C-N 3.35Å; S457-R459 PolarHBondContact O-N 2.99Å; S457-L460 PolarHBondContact O-N 2.94Å; S457-M461 WeakPolarHBondContact O-CB 3.21Å; S457-M461 PolarHBondContact O-N 3.31Å
458	M	64.9	Low	58.7	Low	119 Å²	119	71.8 Å²	71.8	59%	0.586	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-38.9	171.9	-166.9	-177	-173.3	0	0	112.2	S454 T456 M461 N462	S454-M458 PolarHBondContact O-N 3.22Å; T456-M458 VanDerWaalsContact C-N 3.35Å; M458-M461 PolarHBondContact O-N 3.29Å; M458-N462 VanDerWaalsContact O-CG 3.28Å; M458-N462 PolarHBondContact O-N 3.24Å; M458-N462 PolarHBondContact O-ND2 2.83Å
459	R	66.4	Low	59.3	Low	98 Å²	98	68.7 Å²	68.7	37%	0.37	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-41.6	175.1	-73.8	169.9	-172.4	-174.1	2.5	112.2	S455 T456 S457 N462 L463	S455-R459 WeakPolarHBondContact O-CD 3.39Å; S455-R459 WeakPolarHBondContact O-CG 3.44Å; S455-R459 PolarHBondContact O-N 3.33Å; T456-R459 PolarHBondContact O-N 3.23Å; S457-R459 VanDerWaalsContact C-N 3.35Å; S457-R459 PolarHBondContact O-N 2.99Å; R459-N462 PolarHBondContact O-N 3.23Å; R459-L463 PolarHBondContact O-N 2.96Å
460	L	62.1	Low	60.1	Low	9 Å²	9	63.9 Å²	63.9	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-49.4	173.2	-83.2	151.7	0	0	0	110.4	Y391 M444 Y447 T456 S457 N462 L463 G464	Y391-L460 HydrophobicContact CD1-CD2 3.7Å; Y391-L460 HydrophobicContact CE1-CD2 3.44Å; Y391-L460 VanDerWaalsContact CE1-CD2 3.44Å; M444-L460 VanDerWaalsContact CE-C 3.45Å; M444-L460 WeakPolarHBondContact CE-O 3.17Å; Y447-L460 HydrophobicContact CD1-CD1 4.09Å; Y447-L460 HydrophobicContact CD2-CD1 4.16Å; Y447-L460 HydrophobicContact CE1-CD1 4.17Å; Y447-L460 HydrophobicContact CE2-CD1 4.25Å; Y447-L460 HydrophobicContact CG-CD1 4.08Å; T456-L460 HydrophobicContact CG2-CD1 4.18Å; T456-L460 PolarHBondContact O-N 2.91Å; S457-L460 PolarHBondContact O-N 2.94Å; L460-N462 PolarHBondContact O-N 2.78Å; L460-L463 WeakPolarHBondContact O-CA 3.34Å; L460-L463 WeakPolarHBondContact O-CB 3.02Å; L460-L463 PolarHBondContact O-N 3.01Å; L460-G464 PolarHBondContact O-N 3.31Å
461	M	64.1	Low	60.9	Low	63 Å²	63	56.9 Å²	56.9	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-54.2	-48.7	176.2	-174	170.8	-170.2	0	0	112.4	M444 F448 S457 M458 L463 G464 Y465	M444-M461 VanDerWaalsContact CE-CA 3.42Å; F448-M461 HydrophobicContact CE1-CG 4.46Å; F448-M461 HydrophobicContact CE1-SD 3.91Å; F448-M461 HydrophobicContact CZ-CB 3.85Å; F448-M461 HydrophobicContact CZ-CE 4.38Å; F448-M461 HydrophobicContact CZ-CG 3.75Å; F448-M461 HydrophobicContact CZ-SD 3.76Å; S457-M461 WeakPolarHBondContact O-CB 3.21Å; S457-M461 PolarHBondContact O-N 3.31Å; M458-M461 PolarHBondContact O-N 3.29Å; M461-L463 PolarHBondContact O-N 3.42Å; M461-G464 PolarHBondContact O-N 2.93Å; M461-Y465 HydrophobicContact CE-CE2 3.54Å; M461-Y465 WeakPolarHBondContact CE-OH 3.29Å; M461-Y465 HydrophobicContact CG-CD2 3.96Å; M461-Y465 HydrophobicContact CG-CE2 3.46Å; M461-Y465 VanDerWaalsContact CG-CE2 3.46Å; M461-Y465 WeakPolarHBondContact O-CD2 3.33Å; M461-Y465 PolarHBondContact O-N 3.21Å; M461-Y465 VanDerWaalsContact O-N 3.11Å; M461-Y465 HydrophobicContact SD-CE2 4.22Å
462	N	66.1	Low	61.7	Low	77 Å²	77	53.9 Å²	53.9	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-34.5	175.7	-72.1	-19.1	0	0	0	112.4	M458 R459 L460 A466	M458-N462 VanDerWaalsContact O-CG 3.28Å; M458-N462 PolarHBondContact O-N 3.24Å; M458-N462 PolarHBondContact O-ND2 2.83Å; R459-N462 PolarHBondContact O-N 3.23Å; L460-N462 PolarHBondContact O-N 2.78Å; N462-A466 WeakPolarHBondContact O-CB 3.17Å; N462-A466 PolarHBondContact O-N 3.46Å
463	L	63.8	Low	62.4	Low	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-69.5	-40.8	177.5	-161.6	77.8	0	0	0	112.5	L376 I380 Y391 S395 R459 L460 M461 A466 N467	L376-L463 HydrophobicContact CB-CD1 3.74Å; L376-L463 HydrophobicContact CD1-CD1 3.97Å; I380-L463 HydrophobicContact CD1-CD2 4.23Å; Y391-L463 HydrophobicContact CD1-CD2 3.99Å; Y391-L463 HydrophobicContact CE1-CD2 3.18Å; Y391-L463 HydrophobicContact CE1-CG 4.43Å; S395-L463 VanDerWaalsContact OG-CD1 3.24Å; S395-L463 WeakPolarHBondContact OG-CD1 3.47Å; R459-L463 PolarHBondContact O-N 2.96Å; L460-L463 WeakPolarHBondContact O-CA 3.34Å; L460-L463 WeakPolarHBondContact O-CB 3.02Å; L460-L463 PolarHBondContact O-N 3.01Å; M461-L463 PolarHBondContact O-N 3.42Å; L463-A466 WeakPolarHBondContact O-CB 3.36Å; L463-A466 PolarHBondContact O-N 3.07Å; L463-N467 VanDerWaalsContact O-CG 3.23Å; L463-N467 PolarHBondContact O-N 3.46Å; L463-N467 PolarHBondContact O-OD1 2.7Å
464	G	62	Low	62.7	Low	13 Å²	13	44.2 Å²	44.2	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-37.3	176.5	0	0	0	0	0	112.7	L460 M461 A466 N467 F468	L460-G464 PolarHBondContact O-N 3.31Å; M461-G464 PolarHBondContact O-N 2.93Å; G464-A466 VanDerWaalsContact C-N 3.31Å; G464-A466 PolarHBondContact O-N 2.82Å; G464-N467 PolarHBondContact O-N 3.48Å; G464-F468 WeakPolarHBondContact O-CB 3.24Å; G464-F468 PolarHBondContact O-N 2.78Å
465	Y	61.6	Low	62.3	Low	143 Å²	143	43.7 Å²	43.7	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-61.6	-40.8	170.3	-71.8	-53.4	0	0	0	112	M461 F468 A469	M461-Y465 HydrophobicContact CE-CE2 3.54Å; M461-Y465 WeakPolarHBondContact CE-OH 3.29Å; M461-Y465 HydrophobicContact CG-CD2 3.96Å; M461-Y465 HydrophobicContact CG-CE2 3.46Å; M461-Y465 VanDerWaalsContact CG-CE2 3.46Å; M461-Y465 WeakPolarHBondContact O-CD2 3.33Å; M461-Y465 PolarHBondContact O-N 3.21Å; M461-Y465 VanDerWaalsContact O-N 3.11Å; M461-Y465 HydrophobicContact SD-CE2 4.22Å; Y465-F468 PolarHBondContact O-N 3.5Å; Y465-A469 WeakPolarHBondContact O-CB 3.45Å; Y465-A469 PolarHBondContact O-N 2.74Å
466	A	62.4	Low	62.2	Low	13 Å²	13	44.6 Å²	44.6	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-44.8	173.9	0	0	0	0	0	111.3	N462 L463 G464 F468 A469 V470	N462-A466 WeakPolarHBondContact O-CB 3.17Å; N462-A466 PolarHBondContact O-N 3.46Å; L463-A466 WeakPolarHBondContact O-CB 3.36Å; L463-A466 PolarHBondContact O-N 3.07Å; G464-A466 VanDerWaalsContact C-N 3.31Å; G464-A466 PolarHBondContact O-N 2.82Å; A466-F468 PolarHBondContact O-N 3.49Å; A466-A469 PolarHBondContact O-N 3.49Å; A466-V470 WeakPolarHBondContact O-CB 3.26Å; A466-V470 WeakPolarHBondContact O-CG2 3.27Å; A466-V470 PolarHBondContact O-N 2.8Å
467	N	62.2	Low	62.4	Low	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-42.2	179	-68.2	-8.5	0	0	0	111.8	Q373 D440 L463 G464 V470 C471	Q373-N467 PolarHBondContact NE2-OD1 3.16Å; D440-N467 PolarHBondContact OD2-ND2 3.46Å; L463-N467 VanDerWaalsContact O-CG 3.23Å; L463-N467 PolarHBondContact O-N 3.46Å; L463-N467 PolarHBondContact O-OD1 2.7Å; G464-N467 PolarHBondContact O-N 3.48Å; N467-V470 PolarHBondContact O-N 2.73Å; N467-C471 PolarHBondContact O-N 2.79Å; N467-C471 PolarHBondContact O-SG 2.97Å
468	F	57.7	Low	62.2	Low	77 Å²	77	43 Å²	43	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-47	175	-178.5	-103.2	0	0	0	112.2	G464 Y465 A466 V470 C471 L472	G464-F468 WeakPolarHBondContact O-CB 3.24Å; G464-F468 PolarHBondContact O-N 2.78Å; Y465-F468 PolarHBondContact O-N 3.5Å; A466-F468 PolarHBondContact O-N 3.49Å; F468-V470 VanDerWaalsContact C-N 3.28Å; F468-V470 PolarHBondContact O-N 3.22Å; F468-C471 WeakPolarHBondContact O-CB 3.45Å; F468-C471 PolarHBondContact O-N 3.45Å; F468-C471 VanDerWaalsContact O-N 3.17Å; F468-L472 HydrophobicContact CD1-CD1 3.98Å; F468-L472 HydrophobicContact CE1-CD1 3.45Å; F468-L472 VanDerWaalsContact CE1-CD1 3.45Å; F468-L472 HydrophobicContact CE1-CG 4.17Å; F468-L472 HydrophobicContact CZ-CD1 3.91Å; F468-L472 HydrophobicContact CZ-CG 4.25Å; F468-L472 PolarHBondContact O-N 3.38Å
469	A	62.3	Low	61.8	Low	35 Å²	35	40 Å²	40	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-39.4	176.9	0	0	0	0	0	111.9	Y465 A466 L472 M473	Y465-A469 WeakPolarHBondContact O-CB 3.45Å; Y465-A469 PolarHBondContact O-N 2.74Å; A466-A469 PolarHBondContact O-N 3.49Å; A469-L472 PolarHBondContact O-N 2.99Å; A469-M473 WeakPolarHBondContact O-CB 3.2Å; A469-M473 WeakPolarHBondContact O-CG 3.48Å; A469-M473 PolarHBondContact O-N 2.88Å
470	V	62.4	Low	61.6	Low	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-41.7	175.1	175.1	0	0	0	0	111.6	M369 L402 L433 A466 N467 F468 L472 M473 I474	M369-V470 HydrophobicContact CB-CG2 3.61Å; M369-V470 HydrophobicContact CG-CG2 4.04Å; L402-V470 HydrophobicContact CD1-CG1 3.74Å; L402-V470 HydrophobicContact CD1-CG2 4.13Å; L402-V470 HydrophobicContact CD2-CG1 3.33Å; L402-V470 HydrophobicContact CG-CG1 4.17Å; L433-V470 HydrophobicContact CD1-CB 4.31Å; L433-V470 HydrophobicContact CD1-CG1 3.38Å; A466-V470 WeakPolarHBondContact O-CB 3.26Å; A466-V470 WeakPolarHBondContact O-CG2 3.27Å; A466-V470 PolarHBondContact O-N 2.8Å; N467-V470 PolarHBondContact O-N 2.73Å; F468-V470 VanDerWaalsContact C-N 3.28Å; F468-V470 PolarHBondContact O-N 3.22Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 3.48Å; V470-M473 WeakPolarHBondContact O-CB 3.48Å; V470-M473 PolarHBondContact O-N 3.5Å; V470-I474 HydrophobicContact CG1-CD1 4Å; V470-I474 HydrophobicContact CG1-CG1 4.21Å; V470-I474 WeakPolarHBondContact O-CG1 3.35Å; V470-I474 PolarHBondContact O-N 2.89Å
471	C	60.8	Low	61.6	Low	7 Å²	7	36.3 Å²	36.3	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-48	175.2	-69.9	0	0	0	0	111.5	L433 N467 F468 M473 I474 T475	L433-C471 WeakPolarHBondContact CB-SG 3.49Å; N467-C471 PolarHBondContact O-N 2.79Å; N467-C471 PolarHBondContact O-SG 2.97Å; F468-C471 WeakPolarHBondContact O-CB 3.45Å; F468-C471 PolarHBondContact O-N 3.45Å; F468-C471 VanDerWaalsContact O-N 3.17Å; C471-M473 VanDerWaalsContact C-N 3.32Å; C471-M473 PolarHBondContact O-N 3.36Å; C471-I474 PolarHBondContact O-N 3.25Å; C471-T475 WeakPolarHBondContact O-CB 3.33Å; C471-T475 PolarHBondContact O-N 2.9Å; C471-T475 PolarHBondContact O-OG1 3.46Å
472	L	61.1	Low	61.2	Low	64 Å²	64	34.7 Å²	34.7	34%	0.335	19%	0.192	S	C	.	.	H	α-helix	trans	-58.3	-45.5	176.5	-74	175.7	0	0	0	111.4	L225 F468 A469 V470 T475 L476	L225-L472 HydrophobicContact CD1-CD2 4.12Å; L225-L472 HydrophobicContact CD2-CD2 3.63Å; F468-L472 HydrophobicContact CD1-CD1 3.98Å; F468-L472 HydrophobicContact CE1-CD1 3.45Å; F468-L472 VanDerWaalsContact CE1-CD1 3.45Å; F468-L472 HydrophobicContact CE1-CG 4.17Å; F468-L472 HydrophobicContact CZ-CD1 3.91Å; F468-L472 HydrophobicContact CZ-CG 4.25Å; F468-L472 PolarHBondContact O-N 3.38Å; A469-L472 PolarHBondContact O-N 2.99Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 3.48Å; L472-T475 WeakPolarHBondContact O-CB 3.09Å; L472-T475 PolarHBondContact O-N 3.24Å; L472-L476 WeakPolarHBondContact O-CB 3.19Å; L472-L476 PolarHBondContact O-N 3.09Å
473	M	65.7	Low	60.6	Low	22 Å²	22	36.8 Å²	36.8	11%	0.108	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-49.6	178.3	-76.3	-115.4	-65.9	0	0	113.3	L362 L365 Q366 M369 A469 V470 C471 T475 L476 I477	L362-M473 HydrophobicContact CD2-SD 4.45Å; L365-M473 VanDerWaalsContact C-CE 3.49Å; L365-M473 HydrophobicContact CB-CE 3.72Å; L365-M473 HydrophobicContact CB-SD 4.07Å; L365-M473 HydrophobicContact CD2-CE 3.91Å; L365-M473 HydrophobicContact CD2-SD 3.2Å; L365-M473 WeakPolarHBondContact CD2-SD 3.39Å; L365-M473 HydrophobicContact CG-CE 3.42Å; L365-M473 VanDerWaalsContact CG-CE 3.42Å; L365-M473 HydrophobicContact CG-SD 3.48Å; L365-M473 WeakPolarHBondContact CG-SD 3.27Å; Q366-M473 HydrophobicContact CB-CE 4.37Å; M369-M473 HydrophobicContact CG-CE 3.95Å; A469-M473 WeakPolarHBondContact O-CB 3.2Å; A469-M473 WeakPolarHBondContact O-CG 3.48Å; A469-M473 PolarHBondContact O-N 2.88Å; V470-M473 WeakPolarHBondContact O-CB 3.48Å; V470-M473 PolarHBondContact O-N 3.5Å; C471-M473 VanDerWaalsContact C-N 3.32Å; C471-M473 PolarHBondContact O-N 3.36Å; M473-T475 VanDerWaalsContact C-N 3.29Å; M473-T475 PolarHBondContact O-N 2.83Å; M473-L476 WeakPolarHBondContact O-CA 3.33Å; M473-L476 VanDerWaalsContact O-CB 3.29Å; M473-L476 WeakPolarHBondContact O-CB 3.22Å; M473-L476 PolarHBondContact O-N 3.23Å; M473-L476 VanDerWaalsContact O-N 3.14Å; M473-I477 WeakPolarHBondContact O-CG1 3.47Å; M473-I477 PolarHBondContact O-N 2.99Å
474	I	61.3	Low	60.3	Low	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-35.2	-179.5	-60.5	-175.9	0	0	0	110.5	L402 Q426 L429 L430 L433 V470 C471 L476 I477 C478	L402-I474 HydrophobicContact CD2-CD1 3.64Å; L402-I474 HydrophobicContact CD2-CG1 4.37Å; Q426-I474 WeakPolarHBondContact O-CG2 3.46Å; L429-I474 HydrophobicContact CB-CD1 4.26Å; L429-I474 HydrophobicContact CD2-CD1 3.69Å; L429-I474 HydrophobicContact CG-CD1 3.61Å; L430-I474 HydrophobicContact CB-CG2 3.66Å; L430-I474 HydrophobicContact CD1-CB 4.11Å; L430-I474 HydrophobicContact CD1-CG2 4.12Å; L430-I474 HydrophobicContact CG-CG2 4.34Å; L433-I474 HydrophobicContact CD1-CD1 3.45Å; L433-I474 VanDerWaalsContact CD1-CD1 3.45Å; L433-I474 HydrophobicContact CD1-CG1 4.45Å; V470-I474 HydrophobicContact CG1-CD1 4Å; V470-I474 HydrophobicContact CG1-CG1 4.21Å; V470-I474 WeakPolarHBondContact O-CG1 3.35Å; V470-I474 PolarHBondContact O-N 2.89Å; C471-I474 PolarHBondContact O-N 3.25Å; I474-L476 VanDerWaalsContact C-N 3.29Å; I474-L476 PolarHBondContact O-N 3.06Å; I474-I477 PolarHBondContact O-N 2.96Å; I474-C478 WeakPolarHBondContact O-CB 3.14Å; I474-C478 PolarHBondContact O-N 3.49Å; I474-C478 PolarHBondContact O-SG 3.31Å
475	T	54.7	Low	60	Low	47 Å²	47	37.8 Å²	37.8	29%	0.288	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-45	171.6	-55	0	0	0	0	110.5	L430 C471 L472 M473 C478 A479	L430-T475 WeakPolarHBondContact CD1-OG1 3.44Å; C471-T475 WeakPolarHBondContact O-CB 3.33Å; C471-T475 PolarHBondContact O-N 2.9Å; C471-T475 PolarHBondContact O-OG1 3.46Å; L472-T475 WeakPolarHBondContact O-CB 3.09Å; L472-T475 PolarHBondContact O-N 3.24Å; M473-T475 VanDerWaalsContact C-N 3.29Å; M473-T475 PolarHBondContact O-N 2.83Å; T475-C478 PolarHBondContact O-N 3.11Å; T475-A479 VanDerWaalsContact O-CB 3.31Å; T475-A479 WeakPolarHBondContact O-CB 3.19Å; T475-A479 PolarHBondContact O-N 3.42Å
476	L	63.1	Low	59.3	Low	99 Å²	99	32.2 Å²	32.2	52%	0.518	18%	0.178	S	C	.	.	H	α-helix	trans	-62.1	-45	175.8	-121.3	153.2	0	0	0	112.1	L472 M473 I474 A479 I480	L472-L476 WeakPolarHBondContact O-CB 3.19Å; L472-L476 PolarHBondContact O-N 3.09Å; M473-L476 WeakPolarHBondContact O-CA 3.33Å; M473-L476 VanDerWaalsContact O-CB 3.29Å; M473-L476 WeakPolarHBondContact O-CB 3.22Å; M473-L476 PolarHBondContact O-N 3.23Å; M473-L476 VanDerWaalsContact O-N 3.14Å; I474-L476 VanDerWaalsContact C-N 3.29Å; I474-L476 PolarHBondContact O-N 3.06Å; L476-A479 PolarHBondContact O-N 3.43Å; L476-I480 HydrophobicContact CD2-CD1 3.82Å; L476-I480 HydrophobicContact CD2-CG1 4.45Å; L476-I480 WeakPolarHBondContact O-CD1 3.4Å; L476-I480 VanDerWaalsContact O-CG1 3.26Å; L476-I480 WeakPolarHBondContact O-CG1 3.44Å; L476-I480 PolarHBondContact O-N 3.4Å
477	I	63.8	Low	58.8	Low	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-48.9	175.6	-69.1	168.7	0	0	0	110.4	L362 Q366 L409 Q426 M473 I474 A479 I480 I481	L362-I477 HydrophobicContact CB-CD1 4.08Å; L362-I477 HydrophobicContact CB-CG1 3.79Å; L362-I477 HydrophobicContact CD1-CG1 3.91Å; L362-I477 HydrophobicContact CG-CG1 4.32Å; Q366-I477 HydrophobicContact CB-CD1 4.45Å; L409-I477 HydrophobicContact CD2-CD1 4.34Å; L409-I477 HydrophobicContact CD2-CG2 3.92Å; Q426-I477 HydrophobicContact CB-CG2 4.5Å; Q426-I477 HydrophobicContact CG-CG2 4.05Å; M473-I477 WeakPolarHBondContact O-CG1 3.47Å; M473-I477 PolarHBondContact O-N 2.99Å; I474-I477 PolarHBondContact O-N 2.96Å; I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 2.99Å; I477-I480 PolarHBondContact O-N 2.69Å; I477-I481 HydrophobicContact CG2-CD1 3.58Å; I477-I481 HydrophobicContact CG2-CG1 4.26Å; I477-I481 VanDerWaalsContact O-CG1 3.3Å; I477-I481 WeakPolarHBondContact O-CG1 3.46Å; I477-I481 PolarHBondContact O-N 3.05Å
478	C	58.8	Low	58.2	Low	13 Å²	13	36.1 Å²	36.1	9%	0.088	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-42.2	178.4	-70.3	0	0	0	0	111	L430 I474 T475 T482	L430-C478 HydrophobicContact CD2-CB 4.37Å; I474-C478 WeakPolarHBondContact O-CB 3.14Å; I474-C478 PolarHBondContact O-N 3.49Å; I474-C478 PolarHBondContact O-SG 3.31Å; T475-C478 PolarHBondContact O-N 3.11Å; C478-T482 WeakPolarHBondContact O-CB 3.45Å; C478-T482 PolarHBondContact O-N 3.42Å; C478-T482 PolarHBondContact O-OG1 2.94Å
479	A	55.5	Low	57.6	Low	55 Å²	55	33.2 Å²	33.2	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-43.5	176.3	0	0	0	0	0	111.9	T475 L476 I477 T482 Y483	T475-A479 VanDerWaalsContact O-CB 3.31Å; T475-A479 WeakPolarHBondContact O-CB 3.19Å; T475-A479 PolarHBondContact O-N 3.42Å; L476-A479 PolarHBondContact O-N 3.43Å; I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 2.99Å; A479-T482 PolarHBondContact O-N 2.7Å; A479-Y483 WeakPolarHBondContact O-CB 2.9Å; A479-Y483 PolarHBondContact O-N 2.75Å
480	I	62.4	Low	56.6	Low	30 Å²	30	35.9 Å²	35.9	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-47.3	177.9	-68	162.2	0	0	0	111.2	I355 V358 L359 L362 L476 I477 T482 Y483 E484	I355-I480 HydrophobicContact CG2-CG2 3.61Å; V358-I480 HydrophobicContact CG1-CD1 3.91Å; L359-I480 HydrophobicContact CD1-CG2 4.48Å; L359-I480 HydrophobicContact CD2-CB 4.22Å; L359-I480 HydrophobicContact CD2-CG2 3.68Å; L359-I480 HydrophobicContact CG-CG2 3.97Å; L362-I480 HydrophobicContact CD1-CD1 3.33Å; L476-I480 HydrophobicContact CD2-CD1 3.82Å; L476-I480 HydrophobicContact CD2-CG1 4.45Å; L476-I480 WeakPolarHBondContact O-CD1 3.4Å; L476-I480 VanDerWaalsContact O-CG1 3.26Å; L476-I480 WeakPolarHBondContact O-CG1 3.44Å; L476-I480 PolarHBondContact O-N 3.4Å; I477-I480 PolarHBondContact O-N 2.69Å; I480-T482 VanDerWaalsContact C-N 3.28Å; I480-T482 PolarHBondContact O-N 2.75Å; I480-Y483 WeakPolarHBondContact O-CB 3.17Å; I480-Y483 PolarHBondContact O-N 3.18Å; I480-E484 PolarHBondContact O-N 3.41Å
481	I	61.2	Low	55.7	Low	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-39.6	177.7	-62.5	169.3	0	0	0	110.1	L359 L409 L419 F423 Q426 I477 E484 L485	L359-I481 HydrophobicContact CD1-CG1 4.47Å; L359-I481 HydrophobicContact CD2-CG1 3.96Å; L409-I481 HydrophobicContact CD1-CD1 3.84Å; L419-I481 HydrophobicContact CD1-CG2 4.5Å; L419-I481 HydrophobicContact CG-CG2 4.45Å; F423-I481 HydrophobicContact CB-CG2 3.82Å; F423-I481 HydrophobicContact CD2-CB 3.96Å; F423-I481 HydrophobicContact CD2-CG2 3.51Å; F423-I481 HydrophobicContact CE2-CG2 4.48Å; F423-I481 HydrophobicContact CG-CG2 4.03Å; Q426-I481 HydrophobicContact CG-CD1 4.36Å; I477-I481 HydrophobicContact CG2-CD1 3.58Å; I477-I481 HydrophobicContact CG2-CG1 4.26Å; I477-I481 VanDerWaalsContact O-CG1 3.3Å; I477-I481 WeakPolarHBondContact O-CG1 3.46Å; I477-I481 PolarHBondContact O-N 3.05Å; I481-E484 PolarHBondContact O-N 2.97Å; I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 HydrophobicContact CG2-CG 4.32Å; I481-L485 WeakPolarHBondContact O-CB 3.17Å; I481-L485 VanDerWaalsContact O-CG 3.31Å; I481-L485 WeakPolarHBondContact O-CG 3.48Å; I481-L485 PolarHBondContact O-N 3.27Å
482	T	56.4	Low	54.8	Low	28 Å²	28	39.5 Å²	39.5	17%	0.172	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-50	173.3	-57.1	0	0	0	0	109.6	F423 C478 A479 I480 E484 L485 V486	F423-T482 WeakPolarHBondContact CE2-OG1 3.37Å; C478-T482 WeakPolarHBondContact O-CB 3.45Å; C478-T482 PolarHBondContact O-N 3.42Å; C478-T482 PolarHBondContact O-OG1 2.94Å; A479-T482 PolarHBondContact O-N 2.7Å; I480-T482 VanDerWaalsContact C-N 3.28Å; I480-T482 PolarHBondContact O-N 2.75Å; T482-E484 VanDerWaalsContact C-N 3.28Å; T482-E484 PolarHBondContact O-N 3.49Å; T482-L485 PolarHBondContact O-N 2.94Å; T482-L485 VanDerWaalsContact O-N 3.15Å; T482-V486 HydrophobicContact CG2-CG2 3.93Å; T482-V486 WeakPolarHBondContact O-CB 3.45Å; T482-V486 WeakPolarHBondContact O-CG2 3.34Å; T482-V486 PolarHBondContact O-N 3.35Å
483	Y	54.3	Low	53.9	Low	121 Å²	121	39.4 Å²	39.4	48%	0.475	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-35.9	176.6	176.5	-92.1	0	0	0	113.3	A479 I480 V486 S487	A479-Y483 WeakPolarHBondContact O-CB 2.9Å; A479-Y483 PolarHBondContact O-N 2.75Å; I480-Y483 WeakPolarHBondContact O-CB 3.17Å; I480-Y483 PolarHBondContact O-N 3.18Å; Y483-V486 WeakPolarHBondContact O-CB 3.07Å; Y483-S487 WeakPolarHBondContact O-CB 3.49Å; Y483-S487 PolarHBondContact O-N 3.03Å; Y483-S487 PolarHBondContact O-OG 3.38Å
484	E	57.3	Low	52.5	Low	11 Å²	11	40.9 Å²	40.9	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-46.1	173.2	-73.7	-58.6	107.7	0	0	112.5	I355 I480 I481 T482 V486 S487 L488	I355-E484 HydrophobicContact CB-CG 4.13Å; I355-E484 VanDerWaalsContact CD1-CD 3.4Å; I355-E484 WeakPolarHBondContact CD1-OE1 3.47Å; I355-E484 HydrophobicContact CG1-CG 4.22Å; I355-E484 WeakPolarHBondContact CG1-OE1 3.41Å; I355-E484 HydrophobicContact CG2-CG 3.57Å; I480-E484 PolarHBondContact O-N 3.41Å; I481-E484 PolarHBondContact O-N 2.97Å; T482-E484 VanDerWaalsContact C-N 3.28Å; T482-E484 PolarHBondContact O-N 3.49Å; E484-V486 PolarHBondContact O-N 2.99Å; E484-S487 PolarHBondContact O-N 3.33Å; E484-S487 PolarHBondContact O-OG 2.65Å; E484-S487 VanDerWaalsContact O-OG 3.04Å; E484-L488 WeakPolarHBondContact O-CB 3.26Å; E484-L488 WeakPolarHBondContact O-CD1 3.3Å; E484-L488 WeakPolarHBondContact O-CG 3.4Å; E484-L488 PolarHBondContact O-N 3.27Å
485	L	54.1	Low	51.4	Low	25 Å²	25	48.7 Å²	48.7	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-41.1	174.6	-71.3	168.5	0	0	0	110.7	W342 L420 F423 I481 T482 L489	W342-L485 HydrophobicContact CZ3-CD2 4.24Å; L420-L485 HydrophobicContact CD2-CD2 4.29Å; F423-L485 HydrophobicContact CB-CD1 4.38Å; F423-L485 HydrophobicContact CD1-CD1 4.24Å; F423-L485 HydrophobicContact CD2-CD1 4.12Å; F423-L485 HydrophobicContact CE2-CD1 4.5Å; F423-L485 HydrophobicContact CG-CD1 3.97Å; I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 HydrophobicContact CG2-CG 4.32Å; I481-L485 WeakPolarHBondContact O-CB 3.17Å; I481-L485 VanDerWaalsContact O-CG 3.31Å; I481-L485 WeakPolarHBondContact O-CG 3.48Å; I481-L485 PolarHBondContact O-N 3.27Å; T482-L485 PolarHBondContact O-N 2.94Å; T482-L485 VanDerWaalsContact O-N 3.15Å; L485-L489 WeakPolarHBondContact O-CB 2.96Å; L485-L489 WeakPolarHBondContact O-CD1 3.45Å; L485-L489 WeakPolarHBondContact O-CG 2.82Å; L485-L489 PolarHBondContact O-N 3.38Å
486	V	48.8	Very low	50.8	Low	26 Å²	26	53.6 Å²	53.6	16%	0.158	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-55.3	173.2	151.2	0	0	0	0	111	L262 T482 Y483 E484 L488 L489 D490	L262-V486 HydrophobicContact CD1-CB 3.21Å; L262-V486 HydrophobicContact CD1-CG1 3.29Å; L262-V486 HydrophobicContact CD1-CG2 3.12Å; L262-V486 HydrophobicContact CD2-CG1 4.35Å; L262-V486 HydrophobicContact CG-CB 4.47Å; L262-V486 HydrophobicContact CG-CG1 4.37Å; L262-V486 HydrophobicContact CG-CG2 4.04Å; T482-V486 HydrophobicContact CG2-CG2 3.93Å; T482-V486 WeakPolarHBondContact O-CB 3.45Å; T482-V486 WeakPolarHBondContact O-CG2 3.34Å; T482-V486 PolarHBondContact O-N 3.35Å; Y483-V486 WeakPolarHBondContact O-CB 3.07Å; E484-V486 PolarHBondContact O-N 2.99Å; V486-L488 VanDerWaalsContact C-N 3.27Å; V486-L488 PolarHBondContact O-N 3.32Å; V486-L489 PolarHBondContact O-N 2.91Å; V486-D490 PolarHBondContact O-N 3.42Å
487	S	50.5	Low	50	Low	54 Å²	54	51 Å²	51	38%	0.378	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-30.7	-175.8	74.4	0	0	0	0	112.4	Y483 E484	Y483-S487 WeakPolarHBondContact O-CB 3.49Å; Y483-S487 PolarHBondContact O-N 3.03Å; Y483-S487 PolarHBondContact O-OG 3.38Å; E484-S487 PolarHBondContact O-N 3.33Å; E484-S487 PolarHBondContact O-OG 2.65Å; E484-S487 VanDerWaalsContact O-OG 3.04Å
488	L	50.7	Low	49	Very low	44 Å²	44	57.8 Å²	57.8	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-33.5	172.1	-71.4	170	0	0	0	112.4	V345 E484 V486	V345-L488 HydrophobicContact CG1-CB 4.01Å; V345-L488 HydrophobicContact CG1-CD1 4.37Å; V345-L488 HydrophobicContact CG1-CD2 4.5Å; E484-L488 WeakPolarHBondContact O-CB 3.26Å; E484-L488 WeakPolarHBondContact O-CD1 3.3Å; E484-L488 WeakPolarHBondContact O-CG 3.4Å; E484-L488 PolarHBondContact O-N 3.27Å; V486-L488 VanDerWaalsContact C-N 3.27Å; V486-L488 PolarHBondContact O-N 3.32Å
489	L	43.5	Very low	48.2	Very low	16 Å²	16	64.5 Å²	64.5	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-83.7	-35.5	-178.8	-72.6	168.2	0	0	0	113.7	V345 L485 V486 G491 F492	V345-L489 HydrophobicContact CG2-CD2 4.02Å; L485-L489 WeakPolarHBondContact O-CB 2.96Å; L485-L489 WeakPolarHBondContact O-CD1 3.45Å; L485-L489 WeakPolarHBondContact O-CG 2.82Å; L485-L489 PolarHBondContact O-N 3.38Å; V486-L489 PolarHBondContact O-N 2.91Å; L489-G491 PolarHBondContact O-N 3.46Å; L489-F492 PolarHBondContact O-N 3.1Å
490	D	41.5	Very low	47.8	Very low	90 Å²	90	66.9 Å²	66.9	48%	0.481	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.8	179.7	-90.1	-12.6	0	0	0	113.9	V486 F492	V486-D490 PolarHBondContact O-N 3.42Å; D490-F492 PolarHBondContact O-N 2.94Å
491	G	44.8	Very low	46.8	Very low	38 Å²	38	72 Å²	72	39%	0.392	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.2	170.4	0	0	0	0	0	115.7	K348 L489	K348-G491 PolarHBondContact NZ-O 3.05Å; L489-G491 PolarHBondContact O-N 3.46Å
492	F	42.6	Very low	45.7	Very low	46 Å²	46	77.1 Å²	77.1	20%	0.202	39%	0.39	C	S	.	.			trans	-134.8	106.2	-174.2	-70.5	-84.7	0	0	0	112	L344 L489 D490	L344-F492 HydrophobicContact CB-CE1 3.91Å; L344-F492 HydrophobicContact CB-CE2 4.3Å; L344-F492 HydrophobicContact CB-CZ 3.72Å; L344-F492 HydrophobicContact CD1-CE1 4.47Å; L344-F492 HydrophobicContact CD2-CE1 4.1Å; L344-F492 HydrophobicContact CD2-CZ 4.49Å; L344-F492 HydrophobicContact CG-CE1 4.39Å; L489-F492 PolarHBondContact O-N 3.1Å; D490-F492 PolarHBondContact O-N 2.94Å
493	S	40.9	Very low	44.9	Very low	62 Å²	62	81.4 Å²	81.4	43%	0.434	41%	0.41	S	S	.	.			trans	-81.5	127.4	166.3	86	0	0	0	0	110.1	E495 K496	S493-E495 PolarHBondContact O-N 2.93Å; S493-E495 VanDerWaalsContact O-N 3.15Å; S493-K496 PolarHBondContact O-N 3.48Å
494	M	37.2	Very low	44.2	Very low	54 Å²	54	79.4 Å²	79.4	27%	0.266	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-32.5	174.5	-84	-84.6	-166.2	0	0	112.9	G259 T337 Y341 K496 I497	G259-M494 WeakPolarHBondContact O-CG 3.35Å; T337-M494 HydrophobicContact CG2-CE 3.35Å; Y341-M494 HydrophobicContact CE2-CE 3.64Å; Y341-M494 HydrophobicContact CE2-SD 4.17Å; Y341-M494 PolarHBondContact OH-SD 3.35Å; M494-K496 PolarHBondContact O-N 2.88Å; M494-K496 VanDerWaalsContact O-N 3.13Å; M494-I497 PolarHBondContact O-N 3Å
495	E	38.3	Very low	43.6	Very low	164 Å²	164	81.6 Å²	81.6	77%	0.766	43%	0.427	S	S	*	.	H	α-helix	trans	-62.6	-20.6	-176.6	-132.9	178.5	-177.7	0	0	114.4	S493	S493-E495 PolarHBondContact O-N 2.93Å; S493-E495 VanDerWaalsContact O-N 3.15Å
496	K	41.3	Very low	43	Very low	150 Å²	150	85.2 Å²	85.2	65%	0.652	45%	0.446	S	S	*	.	H	α-helix	trans	-87.8	-19.1	179.1	-73.3	-175.6	178.3	-179.3	0	114	S493 M494 N500	S493-K496 PolarHBondContact O-N 3.48Å; M494-K496 PolarHBondContact O-N 2.88Å; M494-K496 VanDerWaalsContact O-N 3.13Å; K496-N500 PolarHBondContact O-N 3.04Å
497	I	46.7	Very low	42.8	Very low	43 Å²	43	91 Å²	91	22%	0.221	47%	0.471	C	S	.	.	H	α-helix	trans	-87.8	-35.4	-173.5	-67.2	166.8	0	0	0	111.3	Y341 L344 M494 N500 Q501	Y341-I497 HydrophobicContact CD1-CD1 4.4Å; Y341-I497 HydrophobicContact CE1-CD1 3.32Å; Y341-I497 WeakPolarHBondContact OH-CD1 3.22Å; L344-I497 HydrophobicContact CD1-CD1 4.45Å; M494-I497 PolarHBondContact O-N 3Å; I497-N500 PolarHBondContact O-N 3.47Å; I497-Q501 HydrophobicContact CG2-CG 4.4Å; I497-Q501 WeakPolarHBondContact O-CB 3.21Å; I497-Q501 PolarHBondContact O-N 3.01Å
498	E	42.1	Very low	42.5	Very low	144 Å²	144	95.6 Å²	95.6	67%	0.673	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-39.1	173.5	-73.4	-177.3	164.3	0	0	111.8	N500 L502	E498-N500 PolarHBondContact O-N 3.41Å; E498-L502 WeakPolarHBondContact O-CB 3.46Å; E498-L502 WeakPolarHBondContact O-CD1 3.21Å; E498-L502 PolarHBondContact O-N 3.11Å; E498-L502 VanDerWaalsContact O-N 3.13Å
499	K	43	Very low	42.1	Very low	154 Å²	154	100.6 Å²	100.6	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-65.3	-38.8	175.6	-89.3	-178.6	174.7	174.9	0	113.5	M503	K499-M503 WeakPolarHBondContact O-CG 3.4Å; K499-M503 PolarHBondContact O-N 3.23Å
500	N	46.9	Very low	42	Very low	105 Å²	105	107.7 Å²	107.7	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-79.9	-32.2	-178.2	-75.1	-4.4	0	0	0	113	K496 I497 E498 M503 V504	K496-N500 PolarHBondContact O-N 3.04Å; I497-N500 PolarHBondContact O-N 3.47Å; E498-N500 PolarHBondContact O-N 3.41Å; N500-M503 PolarHBondContact O-N 3.01Å; N500-V504 WeakPolarHBondContact O-CG2 3.36Å; N500-V504 PolarHBondContact O-N 3.22Å
501	Q	41.5	Very low	41.8	Very low	136 Å²	136	108.8 Å²	108.8	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-72.8	-33.9	174.5	-73.1	-173.5	-17.5	0	0	112.6	I497 S505	I497-Q501 HydrophobicContact CG2-CG 4.4Å; I497-Q501 WeakPolarHBondContact O-CB 3.21Å; I497-Q501 PolarHBondContact O-N 3.01Å; Q501-S505 PolarHBondContact O-N 3.28Å; Q501-S505 PolarHBondContact O-OG 3.33Å
502	L	36.7	Very low	41.5	Very low	108 Å²	108	112.1 Å²	112.1	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-66.9	-37.4	170.3	-97.2	133.4	0	0	0	112.4	E498 S505 L506	E498-L502 WeakPolarHBondContact O-CB 3.46Å; E498-L502 WeakPolarHBondContact O-CD1 3.21Å; E498-L502 PolarHBondContact O-N 3.11Å; E498-L502 VanDerWaalsContact O-N 3.13Å; L502-S505 PolarHBondContact O-OG 2.72Å; L502-L506 PolarHBondContact O-N 3.3Å
503	M	39.7	Very low	41.1	Very low	118 Å²	118	115.8 Å²	115.8	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-68.4	-36.8	178.1	-79.5	-173.7	-177.4	0	0	113.9	K499 N500 L506 Q507	K499-M503 WeakPolarHBondContact O-CG 3.4Å; K499-M503 PolarHBondContact O-N 3.23Å; N500-M503 PolarHBondContact O-N 3.01Å; M503-L506 PolarHBondContact O-N 3.28Å; M503-Q507 PolarHBondContact O-N 3.21Å; M503-Q507 VanDerWaalsContact O-N 3.1Å
504	V	41.1	Very low	41	Very low	79 Å²	79	118 Å²	118	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-68.2	-41.1	178	175.4	0	0	0	0	111	N500 L506 Q507 E508	N500-V504 WeakPolarHBondContact O-CG2 3.36Å; N500-V504 PolarHBondContact O-N 3.22Å; V504-L506 VanDerWaalsContact C-N 3.32Å; V504-L506 PolarHBondContact O-N 3.25Å; V504-Q507 PolarHBondContact O-N 3.31Å; V504-E508 PolarHBondContact O-N 3.36Å; V504-E508 VanDerWaalsContact O-N 3.13Å
505	S	43.4	Very low	40.9	Very low	58 Å²	58	125.1 Å²	125.1	41%	0.406	65%	0.647	S	S	.	*	H	α-helix	trans	-66.6	-29.4	176.4	63.5	0	0	0	0	114.1	Q501 L502 L509	Q501-S505 PolarHBondContact O-N 3.28Å; Q501-S505 PolarHBondContact O-OG 3.33Å; L502-S505 PolarHBondContact O-OG 2.72Å; S505-L509 WeakPolarHBondContact O-CD1 3.13Å; S505-L509 PolarHBondContact O-N 2.96Å
506	L	42.8	Very low	40.7	Very low	100 Å²	100	120.4 Å²	120.4	52%	0.524	64%	0.642	S	S	.	*	H	α-helix	trans	-81.9	-24.1	176.7	-97.9	151.1	0	0	0	113.7	L502 M503 V504	L502-L506 PolarHBondContact O-N 3.3Å; M503-L506 PolarHBondContact O-N 3.28Å; V504-L506 VanDerWaalsContact C-N 3.32Å; V504-L506 PolarHBondContact O-N 3.25Å
507	Q	43.6	Very low	40.5	Very low	147 Å²	147	120.9 Å²	120.9	69%	0.687	66%	0.658	S	S	*	*	H	α-helix	trans	-81.1	-32.7	174.4	-80.1	-178.3	-28.8	0	0	112.3	M503 V504 L509 K510	M503-Q507 PolarHBondContact O-N 3.21Å; M503-Q507 VanDerWaalsContact O-N 3.1Å; V504-Q507 PolarHBondContact O-N 3.31Å; Q507-L509 VanDerWaalsContact C-N 3.27Å; Q507-L509 PolarHBondContact O-N 3.01Å; Q507-K510 PolarHBondContact O-N 3.45Å
508	E	43.8	Very low	39.9	Very low	151 Å²	151	122.2 Å²	122.2	71%	0.706	68%	0.682	S	S	*	*	H	α-helix	trans	-72.3	-19.6	173	-70.9	-179.3	173.4	0	0	113.1	V504	V504-E508 PolarHBondContact O-N 3.36Å; V504-E508 VanDerWaalsContact O-N 3.13Å
509	L	43.1	Very low	39.5	Very low	150 Å²	150	122 Å²	122	79%	0.785	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-2.2	172.8	-98.9	138.7	0	0	0	114.1	S505 Q507	S505-L509 WeakPolarHBondContact O-CD1 3.13Å; S505-L509 PolarHBondContact O-N 2.96Å; Q507-L509 VanDerWaalsContact C-N 3.27Å; Q507-L509 PolarHBondContact O-N 3.01Å
510	K	41.4	Very low	39.3	Very low	164 Å²	164	119.5 Å²	119.5	71%	0.713	69%	0.69	S	S	*	*	S	Bend	trans	-115	10.4	-177.5	-89.2	-171.7	176.9	-175.7	0	115.2	Q507 P512	Q507-K510 PolarHBondContact O-N 3.45Å; K510-P512 WeakPolarHBondContact O-CD 3.39Å
511	T	37.6	Very low	38.8	Very low	114 Å²	114	122.4 Å²	122.4	70%	0.699	71%	0.705	S	S	*	*			trans	-89.3	103.4	165.3	38.3	0	0	0	0	110.3
512	P	38.8	Very low	38.6	Very low	107 Å²	107	120 Å²	120	70%	0.695	71%	0.709	S	S	*	*			trans	-65.6	141.4	179.1	27.1	-33.3	0	0	0	110.9	K510 S514	K510-P512 WeakPolarHBondContact O-CD 3.39Å; P512-S514 PolarHBondContact O-N 2.82Å; P512-S514 VanDerWaalsContact O-N 3.13Å
513	S	34.4	Very low	38.6	Very low	123 Å²	123	121 Å²	121	86%	0.86	72%	0.718	S	S	*	*			trans	-48	110.4	162.2	50	0	0	0	0	111.3
514	S	38.6	Very low	38.4	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	73%	0.731	S	S	*	*			trans	-146.9	73	160.6	66.5	0	0	0	0	109.9	P512	P512-S514 PolarHBondContact O-N 2.82Å; P512-S514 VanDerWaalsContact O-N 3.13Å
515	Q	35.3	Very low	38.1	Very low	204 Å²	204	123.3 Å²	123.3	95%	0.953	74%	0.743	S	S	*	*			trans	-127	100	154	-76.6	-169.8	-9	0	0	106.7
516	G	32.3	Very low	37.6	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	77%	0.767	S	S	*	*			trans	160.3	125.1	176.7	0	0	0	0	0	110.9
517	V	37.9	Very low	36.9	Very low	161 Å²	161	139.2 Å²	139.2	98%	0.976	80%	0.799	S	S	*	*			trans	76.4	122	178	-158	0	0	0	0	112.1
518	G	34.4	Very low	36.6	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	81%	0.805	S	S	*	*			cis	146.1	123.7	22.1	0	0	0	0	0	104.8
519	T	33.1	Very low	36.2	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	81%	0.81	S	S	*	*			trans	-67.3	176.7	175.2	34.2	0	0	0	0	112.2
520	P	39.1	Very low	35.8	Very low	101 Å²	101	137.5 Å²	137.5	66%	0.656	81%	0.812	S	S	*	*			cis	-138	-168.8	-28.8	30.8	-7.4	0	0	0	113.8
521	L	35.8	Very low	35.5	Very low	165 Å²	165	135.9 Å²	135.9	86%	0.864	82%	0.817	S	S	*	*			trans	84.5	118.7	159.3	-71.6	141.6	0	0	0	120.6
522	A	37.2	Very low	35.4	Very low	87 Å²	87	137.3 Å²	137.3	72%	0.719	83%	0.825	S	S	*	*				168.9	119.3	108.6	0	0	0	0	0	114.8
523	V	38.1	Very low	35.2	Very low	127 Å²	127	139.3 Å²	139.3	77%	0.77	83%	0.833	S	S	*	*			trans	73.1	106.4	132.2	-173.8	0	0	0	0	120.9
524	N	35.1	Very low	35.2	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	83%	0.831	S	S	*	*				-175.3	108.3	112.4	-100.1	-23.7	0	0	0	112.7
525	A	34.5	Very low	35	Very low	89 Å²	89	143 Å²	143	74%	0.736	84%	0.837	S	S	*	*	S	Bend	trans	145.9	117.9	144.2	0	0	0	0	0	112.4
526	Y	33.4	Very low	34.9	Very low	230 Å²	230	137.9 Å²	137.9	90%	0.902	83%	0.828	S	S	*	*			trans	87.1	105.6	175.9	-68.1	-85.5	0	0	0	118.4
527	H	28.1	Very low	35.2	Very low	261 Å²	261	144.5 Å²	144.5	100%	1.208	84%	0.842	S	S	*	*			trans	72.1	0	173.4	-84.3	-66.1	0	0	0	119.6

Retrieved 527 of 527 residues in 154.7 ms (Link to these results)

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