A0A5K4EQ20_SCHMA Loading...

Glutathione synthetase

AlphaFold DB , UniProt , Accession A0A5K4EQ20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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	42.4	Very low	69.6	Low	234 Å²	234	79.2 Å²	79.2	100%	1.153	42%	0.42	S	S	*	.				0	123.4	0	-70.8	-169.8	-172.8	0	0	107.6	T3	M1-T3 PolarHBondContact O-N 3.28Å
2	T	51	Low	69.9	Low	137 Å²	137	72.6 Å²	72.6	84%	0.84	39%	0.385	S	S	*	.			trans	-70.7	95	176.7	50.4	0	0	0	0	109.1	T4	T2-T4 PolarHBondContact O-N 2.97Å
3	T	58.9	Low	70.5	Confident	48 Å²	48	70.7 Å²	70.7	29%	0.294	37%	0.372	S	S	.	.			trans	-66.3	116.4	174.3	40.1	0	0	0	0	108.9	M1 K309	M1-T3 PolarHBondContact O-N 3.28Å; T3-K309 VanDerWaalsContact O-CE 3.27Å; T3-K309 WeakPolarHBondContact O-CE 3.23Å
4	T	74.9	Confident	71.3	Confident	53 Å²	53	78 Å²	78	33%	0.325	40%	0.4	S	S	.	.			trans	-68.1	140.2	171.9	-45	0	0	0	0	108.8	T2 S6 K7 L8 E85	T2-T4 PolarHBondContact O-N 2.97Å; T4-S6 PolarHBondContact O-N 2.89Å; T4-S6 VanDerWaalsContact O-N 3.14Å; T4-K7 WeakPolarHBondContact O-CB 3.49Å; T4-K7 PolarHBondContact O-N 3.02Å; T4-L8 PolarHBondContact O-N 3.49Å; T4-E85 WeakPolarHBondContact CG2-OE2 3.39Å
5	W	71.8	Confident	71.7	Confident	9 Å²	9	76.3 Å²	76.3	3%	0.034	39%	0.391	C	S	.	.	H	α-helix	trans	-56.3	-34	179.7	-82.8	115.5	0	0	0	112.5	K7 L8 I9 E85 P87 M306 K309 L310 D313	W5-K7 PolarHBondContact O-N 3.27Å; W5-L8 HydrophobicContact CE3-CB 4.32Å; W5-L8 HydrophobicContact CE3-CD1 3.84Å; W5-L8 HydrophobicContact CZ3-CD1 4.08Å; W5-L8 PolarHBondContact O-N 2.76Å; W5-L8 VanDerWaalsContact O-N 3.08Å; W5-I9 HydrophobicContact CB-CD1 4.35Å; W5-I9 WeakPolarHBondContact O-CB 3.4Å; W5-I9 VanDerWaalsContact O-CG1 3.29Å; W5-I9 WeakPolarHBondContact O-CG1 3.2Å; W5-I9 PolarHBondContact O-N 3.22Å; W5-E85 HydrophobicContact CB-CB 3.7Å; W5-E85 WeakPolarHBondContact CB-O 3.38Å; W5-E85 HydrophobicContact CG-CB 4.23Å; W5-P87 VanDerWaalsContact CD2-CD 3.47Å; W5-P87 HydrophobicContact CD2-CG 4.45Å; W5-P87 HydrophobicContact CE3-CB 4.46Å; W5-P87 HydrophobicContact CE3-CG 3.79Å; W5-P87 VanDerWaalsContact CH2-CD 3.47Å; W5-P87 HydrophobicContact CH2-CG 3.64Å; W5-P87 HydrophobicContact CZ2-CG 4.35Å; W5-P87 HydrophobicContact CZ3-CB 4.31Å; W5-P87 HydrophobicContact CZ3-CG 3.34Å; W5-M306 WeakPolarHBondContact CH2-O 3.26Å; W5-M306 HydrophobicContact CZ3-CB 4.21Å; W5-M306 HydrophobicContact CZ3-CE 4.02Å; W5-M306 HydrophobicContact CZ3-CG 4.17Å; W5-K309 HydrophobicContact CD2-CG 4Å; W5-K309 HydrophobicContact CE3-CG 4.32Å; W5-K309 HydrophobicContact CH2-CB 4.24Å; W5-K309 HydrophobicContact CH2-CG 4.18Å; W5-K309 HydrophobicContact CZ2-CB 4.28Å; W5-K309 HydrophobicContact CZ2-CG 3.81Å; W5-K309 HydrophobicContact CZ3-CG 4.39Å; W5-L310 HydrophobicContact CH2-CB 4.17Å; W5-L310 HydrophobicContact CH2-CD1 4.44Å; W5-L310 HydrophobicContact CZ2-CB 4.29Å; W5-D313 PolarHBondContact NE1-OD2 2.68Å
6	S	75.5	Confident	71.6	Confident	60 Å²	60	72.8 Å²	72.8	42%	0.42	37%	0.373	S	S	.	.	H	α-helix	trans	-55.4	-35.1	175.4	-42.9	0	0	0	0	113	T4 S10	T4-S6 PolarHBondContact O-N 2.89Å; T4-S6 VanDerWaalsContact O-N 3.14Å; S6-S10 VanDerWaalsContact O-CB 3.3Å; S6-S10 WeakPolarHBondContact O-CB 3.46Å; S6-S10 PolarHBondContact O-N 3.48Å; S6-S10 PolarHBondContact O-OG 3.16Å
7	K	81.9	Confident	71.7	Confident	132 Å²	132	72.8 Å²	72.8	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-72.8	-42.5	177.3	-67.4	-179.3	179.5	175.6	0	111.4	T4 W5 S10 R11	T4-K7 WeakPolarHBondContact O-CB 3.49Å; T4-K7 PolarHBondContact O-N 3.02Å; W5-K7 PolarHBondContact O-N 3.27Å; K7-S10 PolarHBondContact O-N 2.81Å; K7-R11 WeakPolarHBondContact O-CG 3.26Å; K7-R11 PolarHBondContact O-N 2.93Å
8	L	75.5	Confident	71.7	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-47.5	177.7	-69	170.8	0	0	0	111.1	T4 W5 S10 R11 A12 L302 E305 M306 K309	T4-L8 PolarHBondContact O-N 3.49Å; W5-L8 HydrophobicContact CE3-CB 4.32Å; W5-L8 HydrophobicContact CE3-CD1 3.84Å; W5-L8 HydrophobicContact CZ3-CD1 4.08Å; W5-L8 PolarHBondContact O-N 2.76Å; W5-L8 VanDerWaalsContact O-N 3.08Å; L8-S10 PolarHBondContact O-N 3.07Å; L8-R11 PolarHBondContact O-N 3.36Å; L8-A12 PolarHBondContact O-N 3.43Å; L8-L302 HydrophobicContact CD2-CD1 3.97Å; L8-E305 HydrophobicContact CD2-CB 3.79Å; L8-E305 WeakPolarHBondContact CD2-OE2 3.49Å; L8-M306 HydrophobicContact CB-CG 4.1Å; L8-M306 HydrophobicContact CD1-CG 4.27Å; L8-M306 HydrophobicContact CD2-CG 4.37Å; L8-M306 HydrophobicContact CG-CG 4.49Å; L8-K309 HydrophobicContact CD1-CB 3.84Å; L8-K309 HydrophobicContact CD1-CG 3.96Å
9	I	74	Confident	71.7	Confident	36 Å²	36	68.8 Å²	68.8	19%	0.185	38%	0.381	C	S	.	.	H	α-helix	trans	-58.6	-47.7	175.6	-66.4	165	0	0	0	110.1	W5 R11 A12 E13 P87 L91	W5-I9 HydrophobicContact CB-CD1 4.35Å; W5-I9 WeakPolarHBondContact O-CB 3.4Å; W5-I9 VanDerWaalsContact O-CG1 3.29Å; W5-I9 WeakPolarHBondContact O-CG1 3.2Å; W5-I9 PolarHBondContact O-N 3.22Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 2.93Å; I9-A12 WeakPolarHBondContact O-CB 3.4Å; I9-A12 PolarHBondContact O-N 3.5Å; I9-E13 HydrophobicContact CG2-CG 4.22Å; I9-E13 WeakPolarHBondContact O-CG 3.33Å; I9-E13 PolarHBondContact O-N 3.12Å; I9-P87 HydrophobicContact CD1-CB 4.36Å; I9-P87 HydrophobicContact CG1-CB 4.09Å; I9-L91 HydrophobicContact CG2-CD1 4.1Å
10	S	80.1	Confident	71.5	Confident	56 Å²	56	66.6 Å²	66.6	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-36	178.7	-62.4	0	0	0	0	112.8	S6 K7 L8 K14	S6-S10 VanDerWaalsContact O-CB 3.3Å; S6-S10 WeakPolarHBondContact O-CB 3.46Å; S6-S10 PolarHBondContact O-N 3.48Å; S6-S10 PolarHBondContact O-OG 3.16Å; K7-S10 PolarHBondContact O-N 2.81Å; L8-S10 PolarHBondContact O-N 3.07Å; S10-K14 WeakPolarHBondContact O-CB 3.2Å; S10-K14 WeakPolarHBondContact O-CG 3.47Å; S10-K14 PolarHBondContact O-N 2.89Å; S10-K14 VanDerWaalsContact O-N 3.17Å
11	R	79.8	Confident	71.2	Confident	105 Å²	105	63.6 Å²	63.6	40%	0.396	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-39.7	175	-75.4	172.4	66.6	-172.4	-4.6	111.2	K7 L8 I9 K14 L15 L302 E305	K7-R11 WeakPolarHBondContact O-CG 3.26Å; K7-R11 PolarHBondContact O-N 2.93Å; L8-R11 PolarHBondContact O-N 3.36Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 2.93Å; R11-K14 PolarHBondContact O-N 3.18Å; R11-L15 WeakPolarHBondContact O-CB 3.38Å; R11-L15 PolarHBondContact O-N 3.06Å; R11-L302 HydrophobicContact CB-CD1 3.81Å; R11-L302 HydrophobicContact CB-CD2 3.98Å; R11-E305 IonicContact CZ-OE1 2.88Å; R11-E305 VanDerWaalsContact CZ-OE1 3.31Å; R11-E305 IonicContact CZ-OE2 3.24Å; R11-E305 IonicContact NH1-OE1 2.94Å; R11-E305 PolarHBondContact NH1-OE1 3.22Å; R11-E305 IonicContact NH1-OE2 4Å; R11-E305 PolarHBondContact NH1-OE2 3.25Å; R11-E305 IonicContact NH2-OE1 3.19Å; R11-E305 PolarHBondContact NH2-OE1 3.08Å; R11-E305 IonicContact NH2-OE2 2.73Å
12	A	72.5	Confident	72.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-46.4	179.1	0	0	0	0	0	111.5	L8 I9 K14 L15 L16 L91 L95 L302	L8-A12 PolarHBondContact O-N 3.43Å; I9-A12 WeakPolarHBondContact O-CB 3.4Å; I9-A12 PolarHBondContact O-N 3.5Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 3.39Å; A12-L15 PolarHBondContact O-N 2.81Å; A12-L15 VanDerWaalsContact O-N 3.14Å; A12-L16 VanDerWaalsContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.21Å; A12-L16 WeakPolarHBondContact O-CD1 3.4Å; A12-L16 WeakPolarHBondContact O-CG 3.26Å; A12-L16 PolarHBondContact O-N 2.92Å; A12-L91 HydrophobicContact CB-CD1 3.91Å; A12-L91 HydrophobicContact CB-CD2 3.55Å; A12-L91 HydrophobicContact CB-CG 3.94Å; A12-L95 HydrophobicContact CB-CD1 3.89Å; A12-L95 HydrophobicContact CB-CD2 3.99Å; A12-L95 HydrophobicContact CB-CG 4.24Å; A12-L302 HydrophobicContact CB-CD2 3.74Å
13	E	78.1	Confident	73.1	Confident	48 Å²	48	50.5 Å²	50.5	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176	-69.1	-173.5	146.8	0	0	111.9	I9 L16 G17 G18 P19 S20 L91	I9-E13 HydrophobicContact CG2-CG 4.22Å; I9-E13 WeakPolarHBondContact O-CG 3.33Å; I9-E13 PolarHBondContact O-N 3.12Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-G17 PolarHBondContact O-N 2.85Å; E13-G18 VanDerWaalsContact CA-O 3.28Å; E13-G18 WeakPolarHBondContact CA-O 3.28Å; E13-G18 WeakPolarHBondContact CB-O 3.33Å; E13-G18 PolarHBondContact O-N 3.48Å; E13-G18 VanDerWaalsContact O-N 3.1Å; E13-P19 WeakPolarHBondContact OE1-CA 3.32Å; E13-S20 PolarHBondContact OE1-N 3.14Å; E13-L91 HydrophobicContact CG-CD1 4.18Å
14	K	81.8	Confident	73.3	Confident	173 Å²	173	50.8 Å²	50.8	75%	0.752	28%	0.278	S	S	*	.	H	α-helix	trans	-62.9	-43.9	174.3	-77.6	175	-177.7	-175	0	112	S10 R11 A12 G17	S10-K14 WeakPolarHBondContact O-CB 3.2Å; S10-K14 WeakPolarHBondContact O-CG 3.47Å; S10-K14 PolarHBondContact O-N 2.89Å; S10-K14 VanDerWaalsContact O-N 3.17Å; R11-K14 PolarHBondContact O-N 3.18Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 3.39Å; K14-G17 PolarHBondContact O-N 3.34Å
15	L	76.9	Confident	72.6	Confident	53 Å²	53	50 Å²	50	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-67.7	-38.8	-179.5	-170.9	72.8	0	0	0	111.8	R11 A12 G17 L95 Q98 P298 L302	R11-L15 WeakPolarHBondContact O-CB 3.38Å; R11-L15 PolarHBondContact O-N 3.06Å; A12-L15 PolarHBondContact O-N 2.81Å; A12-L15 VanDerWaalsContact O-N 3.14Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.44Å; L15-L95 HydrophobicContact CD2-CD2 4.03Å; L15-Q98 VanDerWaalsContact CD2-OE1 3.3Å; L15-Q98 VanDerWaalsContact CG-OE1 3.26Å; L15-Q98 PolarHBondContact O-NE2 3.19Å; L15-P298 HydrophobicContact CD1-CB 3.84Å; L15-L302 HydrophobicContact CD2-CD2 4.4Å
16	L	71	Confident	72.1	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-80.8	-8.4	-179.1	-67.4	167.3	0	0	0	113.4	A12 E13 G18 L91 L94 L95 Q98	A12-L16 VanDerWaalsContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.21Å; A12-L16 WeakPolarHBondContact O-CD1 3.4Å; A12-L16 WeakPolarHBondContact O-CG 3.26Å; A12-L16 PolarHBondContact O-N 2.92Å; E13-L16 PolarHBondContact O-N 3.37Å; L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.81Å; L16-L91 HydrophobicContact CD1-CG 4.44Å; L16-L94 HydrophobicContact CD1-CB 3.51Å; L16-L94 HydrophobicContact CD1-CD1 3.83Å; L16-L94 HydrophobicContact CD1-CG 4.36Å; L16-L94 HydrophobicContact CD2-CB 3.75Å; L16-L94 WeakPolarHBondContact CD2-O 3.42Å; L16-L94 HydrophobicContact CG-CB 4.25Å; L16-L95 HydrophobicContact CD1-CD2 4.04Å; L16-L95 HydrophobicContact CD1-CG 4.14Å; L16-L95 HydrophobicContact CD2-CD2 4.34Å; L16-L95 HydrophobicContact CG-CD2 4.07Å; L16-Q98 HydrophobicContact CD2-CB 4.03Å; L16-Q98 VanDerWaalsContact CD2-OE1 3.27Å
17	G	73	Confident	71	Confident	74 Å²	74	54 Å²	54	76%	0.763	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	20.7	179.3	0	0	0	0	0	114.2	E13 K14 L15	E13-G17 PolarHBondContact O-N 2.85Å; K14-G17 PolarHBondContact O-N 3.34Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.44Å
18	G	71.3	Confident	69.7	Low	17 Å²	17	48.9 Å²	48.9	18%	0.175	28%	0.281	C	S	.	.	S	Bend	trans	-173.6	166.8	-177.2	0	0	0	0	0	113.3	E13 L16	E13-G18 VanDerWaalsContact CA-O 3.28Å; E13-G18 WeakPolarHBondContact CA-O 3.28Å; E13-G18 WeakPolarHBondContact CB-O 3.33Å; E13-G18 PolarHBondContact O-N 3.48Å; E13-G18 VanDerWaalsContact O-N 3.1Å; L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.81Å
19	P	71.9	Confident	68.7	Low	52 Å²	52	53.3 Å²	53.3	34%	0.338	30%	0.304	S	S	.	.			trans	-64.8	164.3	179.7	30	-35.5	0	0	0	110.9	E13 R114	E13-P19 WeakPolarHBondContact OE1-CA 3.32Å; P19-R114 PolarHBondContact O-NH2 3.38Å
20	S	67	Low	68	Low	25 Å²	25	54.4 Å²	54.4	18%	0.175	32%	0.315	C	S	.	.			trans	-44.8	140.6	166.5	172.3	0	0	0	0	111.1	E13 Y22 S88	E13-S20 PolarHBondContact OE1-N 3.14Å; S20-Y22 PolarHBondContact O-N 3.03Å; S20-S88 WeakPolarHBondContact OG-CB 3.47Å; S20-S88 PolarHBondContact OG-OG 3.3Å
21	P	65.3	Low	67	Low	4 Å²	4	56.4 Å²	56.4	3%	0.026	33%	0.329	C	S	.	.			trans	-43.6	132.3	163.6	-29	38	0	0	0	109.9	L94 S117 E118	P21-L94 HydrophobicContact CG-CD1 3.42Å; P21-L94 VanDerWaalsContact CG-CD1 3.42Å; P21-L94 HydrophobicContact CG-CG 3.82Å; P21-S117 WeakPolarHBondContact CB-OG 3.13Å; P21-S117 WeakPolarHBondContact CG-OG 3.28Å; P21-E118 HydrophobicContact CB-CG 4.33Å
22	Y	68.9	Low	65.9	Low	80 Å²	80	54.9 Å²	54.9	31%	0.314	33%	0.326	S	S	.	.			trans	-130.7	157.6	-178.5	61.4	-90.3	0	0	0	108.8	S20 N24 Y63	S20-Y22 PolarHBondContact O-N 3.03Å; Y22-N24 PolarHBondContact O-N 3.34Å; Y22-Y63 HydrophobicContact CE2-CE2 4.44Å
23	I	65.1	Low	65.3	Low	15 Å²	15	55.8 Å²	55.8	8%	0.077	33%	0.333	C	S	.	.			trans	-64.6	113.9	172.9	-59	170.9	0	0	0	108.1	L25 I28 L59 T122 T125 L167	I23-L25 HydrophobicContact CG2-CD2 3.86Å; I23-L25 HydrophobicContact CG2-CG 4.11Å; I23-L25 PolarHBondContact O-N 3.42Å; I23-I28 HydrophobicContact CG2-CD1 4.28Å; I23-L59 HydrophobicContact CD1-CD2 3.69Å; I23-T122 HydrophobicContact CG2-CG2 4.29Å; I23-T125 HydrophobicContact CD1-CG2 3.36Å; I23-T125 WeakPolarHBondContact CD1-OG1 3.26Å; I23-L167 HydrophobicContact CD1-CD2 4.5Å; I23-L167 HydrophobicContact CG2-CD2 3.9Å
24	N	62.4	Low	64.7	Low	54 Å²	54	55.3 Å²	55.3	29%	0.289	34%	0.342	S	S	.	.			trans	-73.9	83.2	172.8	-168.2	-22.4	0	0	0	109.7	Y22 G26 N27	Y22-N24 PolarHBondContact O-N 3.34Å; N24-G26 PolarHBondContact O-N 3.12Å; N24-G26 WeakPolarHBondContact OD1-CA 3.37Å; N24-G26 PolarHBondContact OD1-N 3.28Å; N24-N27 PolarHBondContact O-N 2.93Å
25	L	61.4	Low	63.9	Low	36 Å²	36	50.2 Å²	50.2	19%	0.188	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-62.8	-17.5	174.4	-67.5	173.5	0	0	0	111.9	I23 N27 I28 L29 L59 L67	I23-L25 HydrophobicContact CG2-CD2 3.86Å; I23-L25 HydrophobicContact CG2-CG 4.11Å; I23-L25 PolarHBondContact O-N 3.42Å; L25-N27 PolarHBondContact O-N 2.97Å; L25-N27 VanDerWaalsContact O-N 3.14Å; L25-I28 HydrophobicContact CD2-CD1 4.03Å; L25-I28 CarbonylContact O-C 3.56Å; L25-I28 WeakPolarHBondContact O-CA 3.4Å; L25-I28 PolarHBondContact O-N 3.01Å; L25-L29 HydrophobicContact CB-CD1 3.7Å; L25-L29 HydrophobicContact CB-CG 4.01Å; L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.49Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.38Å; L25-L59 HydrophobicContact CD1-CD2 4.48Å; L25-L67 HydrophobicContact CD1-CD1 3.56Å
26	G	60	Low	63.3	Low	54 Å²	54	49.2 Å²	49.2	56%	0.557	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.2	-27.5	177.7	0	0	0	0	0	113.5	N24	N24-G26 PolarHBondContact O-N 3.12Å; N24-G26 WeakPolarHBondContact OD1-CA 3.37Å; N24-G26 PolarHBondContact OD1-N 3.28Å
27	N	53.3	Low	63.2	Low	101 Å²	101	49.1 Å²	49.1	54%	0.54	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-82.1	-14.2	174.1	-67.6	-16.6	0	0	0	113.6	N24 L25	N24-N27 PolarHBondContact O-N 2.93Å; L25-N27 PolarHBondContact O-N 2.97Å; L25-N27 VanDerWaalsContact O-N 3.14Å
28	I	54.7	Low	63	Low	24 Å²	24	48.6 Å²	48.6	12%	0.123	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-25.6	-177.3	-62.8	158.6	0	0	0	111	I23 L25 S30 A33 V166 L167	I23-I28 HydrophobicContact CG2-CD1 4.28Å; L25-I28 HydrophobicContact CD2-CD1 4.03Å; L25-I28 CarbonylContact O-C 3.56Å; L25-I28 WeakPolarHBondContact O-CA 3.4Å; L25-I28 PolarHBondContact O-N 3.01Å; I28-S30 PolarHBondContact O-N 2.95Å; I28-A33 HydrophobicContact CG2-CB 4.41Å; I28-A33 VanDerWaalsContact O-CB 3.22Å; I28-A33 WeakPolarHBondContact O-CB 3.43Å; I28-V166 HydrophobicContact CG2-CG1 3.63Å; I28-L167 HydrophobicContact CD1-CD2 3.62Å
29	L	53.6	Low	63	Low	93 Å²	93	53.8 Å²	53.8	49%	0.487	32%	0.324	S	S	.	.			trans	-76.4	61.9	-175	-73.9	163.8	0	0	0	111.7	L25 A33	L25-L29 HydrophobicContact CB-CD1 3.7Å; L25-L29 HydrophobicContact CB-CG 4.01Å; L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.49Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.38Å; L29-A33 HydrophobicContact CD2-CB 4.33Å
30	S	60.1	Low	63.1	Low	60 Å²	60	51.5 Å²	51.5	42%	0.42	31%	0.309	S	S	.	.	S	Bend	trans	-75.3	167.9	157.2	70.7	0	0	0	0	109.8	I28 E32 A33 G34	I28-S30 PolarHBondContact O-N 2.95Å; S30-E32 WeakPolarHBondContact CB-OE2 3.27Å; S30-E32 PolarHBondContact O-N 3.25Å; S30-E32 PolarHBondContact OG-OE2 2.64Å; S30-A33 PolarHBondContact O-N 2.75Å; S30-G34 PolarHBondContact O-N 3.16Å
31	S	60	Low	63.6	Low	97 Å²	97	55.6 Å²	55.6	68%	0.678	32%	0.321	S	S	*	.	H	α-helix	trans	-48	-32.1	175.6	28.3	0	0	0	0	112.9	G34 S35	S31-G34 PolarHBondContact O-N 2.84Å; S31-S35 PolarHBondContact O-N 3.41Å
32	E	55.9	Low	64.3	Low	73 Å²	73	64.1 Å²	64.1	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-70.9	-40.7	-178	-59.5	67.7	-137.6	0	0	111.6	S30 G34 S35 L36 F225	S30-E32 WeakPolarHBondContact CB-OE2 3.27Å; S30-E32 PolarHBondContact O-N 3.25Å; S30-E32 PolarHBondContact OG-OE2 2.64Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.49Å; E32-S35 WeakPolarHBondContact O-CB 3.34Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 VanDerWaalsContact O-N 3.12Å; E32-S35 PolarHBondContact O-OG 2.82Å; E32-L36 PolarHBondContact O-N 3.1Å; E32-F225 HydrophobicContact CB-CD1 4.16Å; E32-F225 HydrophobicContact CB-CE1 4.05Å; E32-F225 HydrophobicContact CG-CD1 3.97Å; E32-F225 HydrophobicContact CG-CE1 4.36Å; E32-F225 HydrophobicContact CG-CG 4.44Å
33	A	59.6	Low	64.8	Low	19 Å²	19	61 Å²	61	16%	0.157	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-31.7	175.3	0	0	0	0	0	112	I28 L29 S30 L36 A37	I28-A33 HydrophobicContact CG2-CB 4.41Å; I28-A33 VanDerWaalsContact O-CB 3.22Å; I28-A33 WeakPolarHBondContact O-CB 3.43Å; L29-A33 HydrophobicContact CD2-CB 4.33Å; S30-A33 PolarHBondContact O-N 2.75Å; A33-L36 PolarHBondContact O-N 2.99Å; A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.28Å
34	G	65.2	Low	65.6	Low	39 Å²	39	61.1 Å²	61.1	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-42.5	170.1	0	0	0	0	0	112.2	S30 S31 E32 A37 S38	S30-G34 PolarHBondContact O-N 3.16Å; S31-G34 PolarHBondContact O-N 2.84Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.49Å; G34-A37 PolarHBondContact O-N 3.31Å; G34-S38 WeakPolarHBondContact O-CB 3.11Å; G34-S38 PolarHBondContact O-N 2.87Å
35	S	65.3	Low	66.2	Low	65 Å²	65	61.2 Å²	61.2	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-39.2	175.6	84	0	0	0	0	112.3	S31 E32 S38 R39	S31-S35 PolarHBondContact O-N 3.41Å; E32-S35 WeakPolarHBondContact O-CB 3.34Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 VanDerWaalsContact O-N 3.12Å; E32-S35 PolarHBondContact O-OG 2.82Å; S35-S38 PolarHBondContact O-N 2.87Å; S35-R39 PolarHBondContact O-N 3.42Å
36	L	65.3	Low	66.8	Low	33 Å²	33	65.2 Å²	65.2	17%	0.173	38%	0.379	C	S	.	.	H	α-helix	trans	-65.9	-45.6	176.5	-170	65.3	0	0	0	111.1	E32 A33 S38 R39 A40 L159 L162	E32-L36 PolarHBondContact O-N 3.1Å; A33-L36 PolarHBondContact O-N 2.99Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.37Å; L36-R39 PolarHBondContact O-N 2.76Å; L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.48Å; L36-L159 HydrophobicContact CD1-CD1 3.24Å; L36-L159 HydrophobicContact CD2-CD1 4.31Å; L36-L159 HydrophobicContact CG-CD1 3.67Å; L36-L162 HydrophobicContact CD1-CD2 3.86Å; L36-L162 HydrophobicContact CD2-CD2 4.38Å
37	A	68.1	Low	67.7	Low	17 Å²	17	62.8 Å²	62.8	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-39.4	175.8	0	0	0	0	0	111.8	A33 G34 A40 R41 L67	A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.28Å; G34-A37 PolarHBondContact O-N 3.31Å; A37-A40 PolarHBondContact O-N 2.88Å; A37-R41 WeakPolarHBondContact O-CB 3.33Å; A37-R41 PolarHBondContact O-N 3.39Å; A37-L67 HydrophobicContact CB-CD2 4.09Å
38	S	69.4	Low	69	Low	63 Å²	63	63.4 Å²	63.4	44%	0.441	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.1	-178.3	0	0	0	0	111.8	G34 S35 L36 R41 R42	G34-S38 WeakPolarHBondContact O-CB 3.11Å; G34-S38 PolarHBondContact O-N 2.87Å; S35-S38 PolarHBondContact O-N 2.87Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.37Å; S38-R41 WeakPolarHBondContact O-CB 3.3Å; S38-R41 PolarHBondContact O-N 2.7Å; S38-R42 WeakPolarHBondContact O-CG 3.09Å; S38-R42 PolarHBondContact O-N 3.07Å
39	R	70.6	Confident	70.4	Confident	126 Å²	126	62.5 Å²	62.5	48%	0.475	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-44.7	175.7	-168.3	-179.7	-59.7	170.6	2.5	111.8	S35 L36 R41 R42 L43	S35-R39 PolarHBondContact O-N 3.42Å; L36-R39 PolarHBondContact O-N 2.76Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 3.11Å; R39-L43 HydrophobicContact CG-CD1 4.3Å; R39-L43 WeakPolarHBondContact O-CG 3.16Å; R39-L43 PolarHBondContact O-N 2.96Å; R39-L43 VanDerWaalsContact O-N 3.1Å
40	A	75	Confident	71.7	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.033	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-45.9	174.1	0	0	0	0	0	111.2	L36 A37 R42 L43 A44 F51 F52 F68 L159	L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.48Å; A37-A40 PolarHBondContact O-N 2.88Å; A40-R42 PolarHBondContact O-N 2.89Å; A40-L43 PolarHBondContact O-N 3.1Å; A40-A44 WeakPolarHBondContact O-CB 2.99Å; A40-A44 PolarHBondContact O-N 3.29Å; A40-F51 HydrophobicContact CB-CE1 4.49Å; A40-F52 HydrophobicContact CB-CE1 4.18Å; A40-F52 WeakPolarHBondContact O-CE1 3.39Å; A40-F52 WeakPolarHBondContact O-CZ 3.36Å; A40-F68 HydrophobicContact CB-CE1 4.07Å; A40-F68 HydrophobicContact CB-CZ 4.4Å; A40-L159 HydrophobicContact CB-CD1 4.41Å; A40-L159 HydrophobicContact CB-CD2 3.6Å
41	R	77.2	Confident	72.7	Confident	111 Å²	111	57.8 Å²	57.8	42%	0.419	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-41.5	178.5	-171.9	-177	-59.4	176.6	0.9	112.6	A37 S38 R39 A44 L67	A37-R41 WeakPolarHBondContact O-CB 3.33Å; A37-R41 PolarHBondContact O-N 3.39Å; S38-R41 WeakPolarHBondContact O-CB 3.3Å; S38-R41 PolarHBondContact O-N 2.7Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R41-A44 PolarHBondContact O-N 3.01Å; R41-L67 PolarHBondContact NE-O 3.42Å; R41-L67 PolarHBondContact NH2-O 3.49Å
42	R	79.7	Confident	73.9	Confident	183 Å²	183	54.5 Å²	54.5	69%	0.691	30%	0.299	S	S	*	.	H	α-helix	trans	-63.3	-41	176.3	-72.1	177.3	63.7	-128.3	-2.5	112	S38 R39 A40	S38-R42 WeakPolarHBondContact O-CG 3.09Å; S38-R42 PolarHBondContact O-N 3.07Å; R39-R42 PolarHBondContact O-N 3.11Å; A40-R42 PolarHBondContact O-N 2.89Å
43	L	79.9	Confident	75.1	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-72.2	-36.6	179.1	-70.7	165	0	0	0	112.4	R39 A40 G45 N46 V47 F52 N152 I155 L159	R39-L43 HydrophobicContact CG-CD1 4.3Å; R39-L43 WeakPolarHBondContact O-CG 3.16Å; R39-L43 PolarHBondContact O-N 2.96Å; R39-L43 VanDerWaalsContact O-N 3.1Å; A40-L43 PolarHBondContact O-N 3.1Å; L43-G45 PolarHBondContact O-N 3Å; L43-G45 VanDerWaalsContact O-N 3.17Å; L43-N46 PolarHBondContact O-N 3.23Å; L43-V47 PolarHBondContact O-N 2.9Å; L43-F52 HydrophobicContact CB-CE2 4.33Å; L43-F52 HydrophobicContact CB-CZ 3.72Å; L43-N152 HydrophobicContact CD2-CB 4.4Å; L43-I155 HydrophobicContact CD1-CG2 3.57Å; L43-I155 HydrophobicContact CD2-CG2 4.25Å; L43-L159 HydrophobicContact CD1-CD2 4.11Å
44	A	80.5	Confident	75.9	Confident	18 Å²	18	54.7 Å²	54.7	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-23.5	178.6	0	0	0	0	0	113.7	A40 R41 F52 I70	A40-A44 WeakPolarHBondContact O-CB 2.99Å; A40-A44 PolarHBondContact O-N 3.29Å; R41-A44 PolarHBondContact O-N 3.01Å; A44-F52 HydrophobicContact CB-CD1 3.65Å; A44-F52 HydrophobicContact CB-CD2 4.09Å; A44-F52 HydrophobicContact CB-CE1 3.66Å; A44-F52 HydrophobicContact CB-CE2 4.09Å; A44-F52 HydrophobicContact CB-CG 3.88Å; A44-F52 HydrophobicContact CB-CZ 3.89Å; A44-I70 HydrophobicContact CB-CD1 3.99Å
45	G	75.7	Confident	76.4	Confident	56 Å²	56	53.3 Å²	53.3	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.8	174.8	0	0	0	0	0	114.1	L43	L43-G45 PolarHBondContact O-N 3Å; L43-G45 VanDerWaalsContact O-N 3.17Å
46	N	73.8	Confident	76.9	Confident	119 Å²	119	55.5 Å²	55.5	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-22.8	-169.7	-63.3	-13.2	0	0	0	113	L43	L43-N46 PolarHBondContact O-N 3.23Å
47	V	77.9	Confident	77.1	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	31%	0.31	C	S	.	.			trans	-135.3	131.8	-172.4	-177.6	0	0	0	0	112.1	L43 H49 N152 M153	L43-V47 PolarHBondContact O-N 2.9Å; V47-H49 VanDerWaalsContact C-N 3.32Å; V47-H49 HydrophobicContact CG1-CB 4.14Å; V47-H49 PolarHBondContact O-N 3.44Å; V47-H49 VanDerWaalsContact O-N 3.13Å; V47-N152 HydrophobicContact CG2-CB 3.36Å; V47-M153 HydrophobicContact CG1-CE 3.51Å; V47-M153 HydrophobicContact CG1-CG 4.03Å; V47-M153 HydrophobicContact CG1-SD 3.37Å; V47-M153 WeakPolarHBondContact CG1-SD 3.45Å
48	N	81.6	Confident	77.1	Confident	114 Å²	114	58.9 Å²	58.9	61%	0.61	31%	0.314	S	S	*	.			trans	-85.3	70.3	172.9	-63.2	-32.1	0	0	0	110.8	F78	N48-F78 HydrophobicContact CB-CZ 4.47Å; N48-F78 VanDerWaalsContact OD1-CZ 3.24Å; N48-F78 WeakPolarHBondContact OD1-CZ 3.29Å
49	H	83.2	Confident	76.9	Confident	5 Å²	5	57.3 Å²	57.3	2%	0.023	30%	0.3	C	S	.	.			trans	-91.9	136	178.3	-166.9	-80.2	0	0	0	111.4	V47 F51 F52 S132 M153 C156 N157	V47-H49 VanDerWaalsContact C-N 3.32Å; V47-H49 HydrophobicContact CG1-CB 4.14Å; V47-H49 PolarHBondContact O-N 3.44Å; V47-H49 VanDerWaalsContact O-N 3.13Å; H49-F51 WeakPolarHBondContact ND1-CB 3.41Å; H49-F51 PolarHBondContact ND1-N 3.33Å; H49-F51 PolarHBondContact O-N 3.47Å; H49-F51 VanDerWaalsContact O-N 3.08Å; H49-F52 HydrophobicContact CB-CD2 4.01Å; H49-F52 HydrophobicContact CB-CE2 4.03Å; H49-F52 PolarHBondContact O-N 2.96Å; H49-S132 PolarHBondContact CE1-O 3.14Å; H49-M153 HydrophobicContact CB-SD 4.2Å; H49-M153 PolarHBondContact CD2-SD 2.85Å; H49-C156 HydrophobicContact CB-CB 3.8Å; H49-C156 WeakPolarHBondContact CD2-CB 3.07Å; H49-C156 VanDerWaalsContact CG-CB 3.43Å; H49-N157 PolarHBondContact NE2-OD1 3.32Å
50	P	82.1	Confident	76.2	Confident	51 Å²	51	61.3 Å²	61.3	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-54.1	-31	179.3	-27.1	35	0	0	0	114.1	F52 S53 T54 V134	P50-F52 VanDerWaalsContact C-N 3.3Å; P50-F52 PolarHBondContact O-N 3.14Å; P50-S53 PolarHBondContact O-N 2.93Å; P50-S53 VanDerWaalsContact O-N 3.1Å; P50-S53 PolarHBondContact O-OG 3.1Å; P50-T54 WeakPolarHBondContact O-CB 3.29Å; P50-T54 PolarHBondContact O-N 3.15Å; P50-T54 PolarHBondContact O-OG1 3.18Å; P50-V134 VanDerWaalsContact CD-CG2 3.43Å; P50-V134 HydrophobicContact CG-CG2 3.62Å
51	F	81.3	Confident	74.9	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-40.5	-52.3	168.6	173.8	-109.6	0	0	0	113.9	A40 H49 S53 T54 V55 I129 S132 L159 A160	A40-F51 HydrophobicContact CB-CE1 4.49Å; H49-F51 WeakPolarHBondContact ND1-CB 3.41Å; H49-F51 PolarHBondContact ND1-N 3.33Å; H49-F51 PolarHBondContact O-N 3.47Å; H49-F51 VanDerWaalsContact O-N 3.08Å; F51-S53 PolarHBondContact O-N 3.45Å; F51-T54 PolarHBondContact O-N 3.07Å; F51-V55 HydrophobicContact CD2-CG2 3.77Å; F51-V55 HydrophobicContact CE1-CG2 4.18Å; F51-V55 HydrophobicContact CE2-CG2 3.38Å; F51-V55 HydrophobicContact CG-CG2 4.34Å; F51-V55 HydrophobicContact CZ-CG2 3.62Å; F51-V55 WeakPolarHBondContact O-CB 3.35Å; F51-V55 VanDerWaalsContact O-CG2 3.3Å; F51-V55 WeakPolarHBondContact O-CG2 3.31Å; F51-V55 PolarHBondContact O-N 2.7Å; F51-I129 HydrophobicContact CD2-CG2 3.92Å; F51-I129 HydrophobicContact CE2-CG2 3.8Å; F51-S132 WeakPolarHBondContact CA-OG 3.46Å; F51-S132 PolarHBondContact N-OG 3.27Å; F51-L159 HydrophobicContact CD1-CD2 4.07Å; F51-L159 HydrophobicContact CD1-CG 4.39Å; F51-L159 HydrophobicContact CE1-CD2 3.45Å; F51-L159 VanDerWaalsContact CE1-CD2 3.45Å; F51-L159 HydrophobicContact CE1-CG 3.68Å; F51-L159 HydrophobicContact CZ-CD2 4.08Å; F51-L159 HydrophobicContact CZ-CG 3.79Å; F51-A160 HydrophobicContact CB-CB 4.08Å; F51-A160 VanDerWaalsContact CD2-CA 3.5Å; F51-A160 HydrophobicContact CD2-CB 3.42Å; F51-A160 VanDerWaalsContact CD2-CB 3.42Å; F51-A160 HydrophobicContact CE2-CB 4.08Å; F51-A160 HydrophobicContact CG-CB 3.94Å
52	F	85.7	Confident	73.4	Confident	28 Å²	28	67.4 Å²	67.4	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-68.3	-38.5	-176.1	-61	-62.5	0	0	0	112	A40 L43 A44 H49 P50 T54 R56 L159	A40-F52 HydrophobicContact CB-CE1 4.18Å; A40-F52 WeakPolarHBondContact O-CE1 3.39Å; A40-F52 WeakPolarHBondContact O-CZ 3.36Å; L43-F52 HydrophobicContact CB-CE2 4.33Å; L43-F52 HydrophobicContact CB-CZ 3.72Å; A44-F52 HydrophobicContact CB-CD1 3.65Å; A44-F52 HydrophobicContact CB-CD2 4.09Å; A44-F52 HydrophobicContact CB-CE1 3.66Å; A44-F52 HydrophobicContact CB-CE2 4.09Å; A44-F52 HydrophobicContact CB-CG 3.88Å; A44-F52 HydrophobicContact CB-CZ 3.89Å; H49-F52 HydrophobicContact CB-CD2 4.01Å; H49-F52 HydrophobicContact CB-CE2 4.03Å; H49-F52 PolarHBondContact O-N 2.96Å; P50-F52 VanDerWaalsContact C-N 3.3Å; P50-F52 PolarHBondContact O-N 3.14Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 3.38Å; F52-R56 WeakPolarHBondContact O-CB 3.27Å; F52-R56 PolarHBondContact O-N 2.84Å; F52-L159 HydrophobicContact CE1-CD2 4.34Å; F52-L159 HydrophobicContact CZ-CD2 4.38Å
53	S	80.1	Confident	71.8	Confident	70 Å²	70	65.5 Å²	65.5	49%	0.49	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-36.7	175.1	72.7	0	0	0	0	111.8	P50 F51 S57	P50-S53 PolarHBondContact O-N 2.93Å; P50-S53 VanDerWaalsContact O-N 3.1Å; P50-S53 PolarHBondContact O-OG 3.1Å; F51-S53 PolarHBondContact O-N 3.45Å; S53-S57 WeakPolarHBondContact O-CB 3.45Å; S53-S57 PolarHBondContact O-N 3.41Å; S53-S57 PolarHBondContact O-OG 3.45Å
54	T	75.9	Confident	70	Confident	26 Å²	26	65.7 Å²	65.7	16%	0.16	35%	0.346	C	S	.	.	H	α-helix	trans	-71	-52.2	179.4	-56.7	0	0	0	0	111	P50 F51 F52 R56 S57 C58 A128 I129 S132	P50-T54 WeakPolarHBondContact O-CB 3.29Å; P50-T54 PolarHBondContact O-N 3.15Å; P50-T54 PolarHBondContact O-OG1 3.18Å; F51-T54 PolarHBondContact O-N 3.07Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 3.38Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.08Å; T54-S57 PolarHBondContact O-N 3.29Å; T54-C58 PolarHBondContact O-N 3.45Å; T54-C58 PolarHBondContact O-SG 2.85Å; T54-A128 VanDerWaalsContact CG2-C 3.48Å; T54-A128 HydrophobicContact CG2-CB 3.75Å; T54-A128 WeakPolarHBondContact CG2-O 3.33Å; T54-I129 HydrophobicContact CG2-CG1 4.37Å; T54-S132 VanDerWaalsContact OG1-CB 3.32Å; T54-S132 WeakPolarHBondContact OG1-CB 3.08Å
55	V	76.8	Confident	68	Low	10 Å²	10	70 Å²	70	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-56.2	-43.8	175.5	171.6	0	0	0	0	110.7	F51 S57 L59 F68 I129	F51-V55 HydrophobicContact CD2-CG2 3.77Å; F51-V55 HydrophobicContact CE1-CG2 4.18Å; F51-V55 HydrophobicContact CE2-CG2 3.38Å; F51-V55 HydrophobicContact CG-CG2 4.34Å; F51-V55 HydrophobicContact CZ-CG2 3.62Å; F51-V55 WeakPolarHBondContact O-CB 3.35Å; F51-V55 VanDerWaalsContact O-CG2 3.3Å; F51-V55 WeakPolarHBondContact O-CG2 3.31Å; F51-V55 PolarHBondContact O-N 2.7Å; V55-S57 VanDerWaalsContact C-N 3.31Å; V55-S57 PolarHBondContact O-N 3.17Å; V55-L59 HydrophobicContact CG1-CD1 3.55Å; V55-L59 HydrophobicContact CG1-CG 4.24Å; V55-L59 VanDerWaalsContact O-CB 3.24Å; V55-L59 WeakPolarHBondContact O-CB 3.37Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 3.04Å; V55-F68 HydrophobicContact CG1-CD2 4.45Å; V55-F68 HydrophobicContact CG1-CE2 3.54Å; V55-F68 HydrophobicContact CG1-CZ 3.92Å; V55-I129 HydrophobicContact CG2-CD1 3.88Å; V55-I129 HydrophobicContact CG2-CG1 3.87Å
56	R	75	Confident	66.5	Low	110 Å²	110	74 Å²	74	42%	0.415	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-37.8	176.9	-167.3	179.9	-163.3	107.9	1.5	112	F52 T54 R60	F52-R56 WeakPolarHBondContact O-CB 3.27Å; F52-R56 PolarHBondContact O-N 2.84Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.08Å; R56-R60 WeakPolarHBondContact O-CB 2.98Å; R56-R60 PolarHBondContact O-N 3.07Å
57	S	69.4	Low	64.9	Low	89 Å²	89	70 Å²	70	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-71.3	-46.6	179.1	-59.6	0	0	0	0	111.7	S53 T54 V55 R60	S53-S57 WeakPolarHBondContact O-CB 3.45Å; S53-S57 PolarHBondContact O-N 3.41Å; S53-S57 PolarHBondContact O-OG 3.45Å; T54-S57 PolarHBondContact O-N 3.29Å; V55-S57 VanDerWaalsContact C-N 3.31Å; V55-S57 PolarHBondContact O-N 3.17Å; S57-R60 PolarHBondContact O-N 3.03Å
58	C	69.2	Low	63.4	Low	33 Å²	33	71 Å²	71	22%	0.223	36%	0.357	C	S	.	.	H	α-helix	trans	-67.3	-36.8	179.4	-62.5	0	0	0	0	112.8	T54 T125	T54-C58 PolarHBondContact O-N 3.45Å; T54-C58 PolarHBondContact O-SG 2.85Å; C58-T125 HydrophobicContact CB-CG2 3.48Å; C58-T125 VanDerWaalsContact CB-CG2 3.48Å
59	L	65	Low	61.3	Low	30 Å²	30	69.9 Å²	69.9	16%	0.157	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.8	-177.6	-59.8	179.9	0	0	0	113.4	I23 L25 V55 G61 V64	I23-L59 HydrophobicContact CD1-CD2 3.69Å; L25-L59 HydrophobicContact CD1-CD2 4.48Å; V55-L59 HydrophobicContact CG1-CD1 3.55Å; V55-L59 HydrophobicContact CG1-CG 4.24Å; V55-L59 VanDerWaalsContact O-CB 3.24Å; V55-L59 WeakPolarHBondContact O-CB 3.37Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 3.04Å; L59-G61 PolarHBondContact O-N 2.93Å; L59-V64 VanDerWaalsContact C-CG1 3.46Å; L59-V64 HydrophobicContact CB-CG1 3.25Å; L59-V64 HydrophobicContact CD1-CG1 4.48Å; L59-V64 HydrophobicContact CG-CG1 4.5Å; L59-V64 WeakPolarHBondContact O-CG1 3.44Å
60	R	55	Low	59.2	Low	209 Å²	209	71.9 Å²	71.9	79%	0.789	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	76	177.7	-162.5	170.6	176.4	174.3	-3.2	110.9	R56 S57	R56-R60 WeakPolarHBondContact O-CB 2.98Å; R56-R60 PolarHBondContact O-N 3.07Å; S57-R60 PolarHBondContact O-N 3.03Å
61	G	48.9	Very low	56.9	Low	42 Å²	42	73.1 Å²	73.1	43%	0.433	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.6	85.3	171.3	0	0	0	0	0	107.7	L59 Y63	L59-G61 PolarHBondContact O-N 2.93Å; G61-Y63 WeakPolarHBondContact O-CD2 3.3Å; G61-Y63 PolarHBondContact O-N 3.14Å
62	R	44.4	Very low	55	Low	201 Å²	201	78.1 Å²	78.1	76%	0.758	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-17.6	176.9	-63.9	-177.3	-171.4	155.5	7.6	119.3
63	Y	45.6	Very low	52.6	Low	143 Å²	143	80.5 Å²	80.5	56%	0.561	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-7.5	-172.4	-73.9	-82.7	0	0	0	116.3	Y22 G61 N65	Y22-Y63 HydrophobicContact CE2-CE2 4.44Å; G61-Y63 WeakPolarHBondContact O-CD2 3.3Å; G61-Y63 PolarHBondContact O-N 3.14Å; Y63-N65 VanDerWaalsContact C-N 3.27Å; Y63-N65 PolarHBondContact O-N 2.85Å
64	V	43.5	Very low	50.7	Low	18 Å²	18	81.5 Å²	81.5	11%	0.109	44%	0.438	C	S	.	.	H	α-helix	trans	-71.1	-15.8	178.4	-82.7	0	0	0	0	115.3	L59 N66 F68	L59-V64 VanDerWaalsContact C-CG1 3.46Å; L59-V64 HydrophobicContact CB-CG1 3.25Å; L59-V64 HydrophobicContact CD1-CG1 4.48Å; L59-V64 HydrophobicContact CG-CG1 4.5Å; L59-V64 WeakPolarHBondContact O-CG1 3.44Å; V64-N66 PolarHBondContact O-N 2.94Å; V64-F68 PolarHBondContact O-N 3.37Å
65	N	38.1	Very low	49.1	Very low	109 Å²	109	83 Å²	83	58%	0.583	45%	0.449	S	S	*	.	H	α-helix	trans	-67.7	-24.7	-177.1	-59.1	-2.7	0	0	0	111.6	Y63 S69	Y63-N65 VanDerWaalsContact C-N 3.27Å; Y63-N65 PolarHBondContact O-N 2.85Å; N65-S69 PolarHBondContact O-OG 2.85Å
66	N	43.1	Very low	47.2	Very low	139 Å²	139	89 Å²	89	74%	0.743	48%	0.481	S	S	*	.	H	α-helix	trans	-97.1	-24.3	-177.2	-70.8	-2.6	0	0	0	113.8	V64	V64-N66 PolarHBondContact O-N 2.94Å
67	L	40.3	Very low	45.3	Very low	35 Å²	35	94.5 Å²	94.5	18%	0.183	50%	0.502	C	S	.	.	H	α-helix	trans	-89.7	-35.7	-177.5	-77.5	161.6	0	0	0	113.1	L25 A37 R41	L25-L67 HydrophobicContact CD1-CD1 3.56Å; A37-L67 HydrophobicContact CB-CD2 4.09Å; R41-L67 PolarHBondContact NE-O 3.42Å; R41-L67 PolarHBondContact NH2-O 3.49Å
68	F	46.8	Very low	43.8	Very low	26 Å²	26	96.5 Å²	96.5	11%	0.114	50%	0.499	C	S	.	.			trans	-133.3	53.8	-176.6	-61.2	-80.8	0	0	0	111.3	A40 V55 V64 I70	A40-F68 HydrophobicContact CB-CE1 4.07Å; A40-F68 HydrophobicContact CB-CZ 4.4Å; V55-F68 HydrophobicContact CG1-CD2 4.45Å; V55-F68 HydrophobicContact CG1-CE2 3.54Å; V55-F68 HydrophobicContact CG1-CZ 3.92Å; V64-F68 PolarHBondContact O-N 3.37Å; F68-I70 PolarHBondContact O-N 3.49Å
69	S	39.1	Very low	42	Very low	90 Å²	90	98.6 Å²	98.6	63%	0.629	51%	0.514	S	S	*	.			trans	-62.7	69.5	162.1	-88.8	0	0	0	0	109.8	N65	N65-S69 PolarHBondContact O-OG 2.85Å
70	I	38	Very low	40.3	Very low	47 Å²	47	107 Å²	107	24%	0.241	55%	0.55	C	S	.	.			trans	-78.7	115.9	160.1	-62.3	169.8	0	0	0	103.3	A44 F68 S72 I74	A44-I70 HydrophobicContact CB-CD1 3.99Å; F68-I70 PolarHBondContact O-N 3.49Å; I70-S72 PolarHBondContact O-N 3.17Å; I70-I74 HydrophobicContact CG2-CB 3.96Å; I70-I74 HydrophobicContact CG2-CD1 3.91Å; I70-I74 HydrophobicContact CG2-CG1 4.41Å; I70-I74 HydrophobicContact CG2-CG2 4.39Å
71	S	34.2	Very low	39.1	Very low	76 Å²	76	102 Å²	102	53%	0.531	55%	0.547	S	S	.	.			trans	-31.2	135.6	176.1	168.4	0	0	0	0	112.3	A73 I74	S71-A73 PolarHBondContact O-N 3.1Å; S71-A73 PolarHBondContact OG-N 3.04Å; S71-I74 PolarHBondContact O-N 3.44Å; S71-I74 VanDerWaalsContact O-N 3.1Å
72	S	40.3	Very low	38.2	Very low	109 Å²	109	106 Å²	106	76%	0.762	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-1.8	176	49.5	0	0	0	0	114.9	I70 S75	I70-S72 PolarHBondContact O-N 3.17Å; S72-S75 PolarHBondContact O-OG 2.99Å
73	A	35.6	Very low	37.6	Very low	79 Å²	79	102.5 Å²	102.5	65%	0.653	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-18	174.3	0	0	0	0	0	114.7	S71	S71-A73 PolarHBondContact O-N 3.1Å; S71-A73 PolarHBondContact OG-N 3.04Å
74	I	40	Very low	37.5	Very low	90 Å²	90	99.7 Å²	99.7	46%	0.462	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.4	-16.1	179.8	-58.6	172.7	0	0	0	111.7	I70 S71 D76	I70-I74 HydrophobicContact CG2-CB 3.96Å; I70-I74 HydrophobicContact CG2-CD1 3.91Å; I70-I74 HydrophobicContact CG2-CG1 4.41Å; I70-I74 HydrophobicContact CG2-CG2 4.39Å; S71-I74 PolarHBondContact O-N 3.44Å; S71-I74 VanDerWaalsContact O-N 3.1Å; I74-D76 PolarHBondContact O-N 2.81Å; I74-D76 VanDerWaalsContact O-N 3.09Å
75	S	43.1	Very low	38	Very low	58 Å²	58	103.3 Å²	103.3	41%	0.406	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	-15.2	-176.4	43.8	0	0	0	0	115.2	S72	S72-S75 PolarHBondContact O-OG 2.99Å
76	D	37.3	Very low	38.6	Very low	136 Å²	136	103.6 Å²	103.6	73%	0.727	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-5.7	-172.2	-137.7	19.3	0	0	0	114.7	I74 S79	I74-D76 PolarHBondContact O-N 2.81Å; I74-D76 VanDerWaalsContact O-N 3.09Å; D76-S79 PolarHBondContact O-OG 3.13Å
77	R	35.5	Very low	39.2	Very low	225 Å²	225	97.5 Å²	97.5	85%	0.849	54%	0.542	S	S	*	.	S	Bend	trans	-100.2	-10	179.9	-64.3	-162.4	-163.4	-157.3	5.9	115.1
78	F	37.9	Very low	40.2	Very low	131 Å²	131	97 Å²	97	58%	0.575	54%	0.541	S	S	*	.	S	Bend	trans	-119.4	11	-179.2	-69.2	-79.3	0	0	0	113.2	N48 K80	N48-F78 HydrophobicContact CB-CZ 4.47Å; N48-F78 VanDerWaalsContact OD1-CZ 3.24Å; N48-F78 WeakPolarHBondContact OD1-CZ 3.29Å; F78-K80 VanDerWaalsContact C-N 3.29Å; F78-K80 PolarHBondContact O-N 2.83Å
79	S	30.9	Very low	40.8	Very low	77 Å²	77	96.8 Å²	96.8	54%	0.538	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	12.9	-170.9	38.8	0	0	0	0	115.3	D76	D76-S79 PolarHBondContact O-OG 3.13Å
80	K	29	Very low	41.7	Very low	207 Å²	207	92.5 Å²	92.5	90%	0.9	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	22.5	-176.3	-140.3	176.3	-174.2	177.4	0	115.7	F78	F78-K80 VanDerWaalsContact C-N 3.29Å; F78-K80 PolarHBondContact O-N 2.83Å
81	S	28.5	Very low	42.8	Very low	104 Å²	104	90.3 Å²	90.3	73%	0.727	51%	0.505	S	S	*	.	S	Bend	trans	-102.1	97.9	171.3	176.8	0	0	0	0	110.1
82	V	30.2	Very low	44.2	Very low	126 Å²	126	89.3 Å²	89.3	76%	0.764	49%	0.494	S	S	*	.			trans	37.3	89.7	160	-173.8	0	0	0	0	114.9	S84	V82-S84 PolarHBondContact O-N 3.4Å
83	T	32.2	Very low	45	Very low	128 Å²	128	85.7 Å²	85.7	79%	0.785	47%	0.465	S	S	*	.			trans	-63.7	83.5	160.9	50.3	0	0	0	0	109.3	E85	T83-E85 PolarHBondContact O-N 3.47Å
84	S	42.9	Very low	46.2	Very low	84 Å²	84	82.1 Å²	82.1	59%	0.587	44%	0.435	S	S	*	.			trans	-80	100	163.2	-163.7	0	0	0	0	107	V82 R86	V82-S84 PolarHBondContact O-N 3.4Å; S84-R86 PolarHBondContact O-N 2.79Å; S84-R86 WeakPolarHBondContact OG-CB 3.46Å
85	E	54.1	Low	47.1	Very low	93 Å²	93	77.9 Å²	77.9	44%	0.435	41%	0.413	S	S	.	.			trans	-67.3	20.2	171	-57.5	-177.6	160	0	0	112.3	T4 W5 T83	T4-E85 WeakPolarHBondContact CG2-OE2 3.39Å; W5-E85 HydrophobicContact CB-CB 3.7Å; W5-E85 WeakPolarHBondContact CB-O 3.38Å; W5-E85 HydrophobicContact CG-CB 4.23Å; T83-E85 PolarHBondContact O-N 3.47Å
86	R	51.3	Low	47.7	Very low	115 Å²	115	76.2 Å²	76.2	43%	0.434	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-67.8	141	-169.9	-163.3	175.3	-179.7	95.5	-9.4	110.7	S84	S84-R86 PolarHBondContact O-N 2.79Å; S84-R86 WeakPolarHBondContact OG-CB 3.46Å
87	P	55.4	Low	48.6	Very low	12 Å²	12	69.9 Å²	69.9	8%	0.078	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.1	146.7	176.8	28.6	-38.4	0	0	0	109.2	W5 I9 G89 L91 M306	W5-P87 VanDerWaalsContact CD2-CD 3.47Å; W5-P87 HydrophobicContact CD2-CG 4.45Å; W5-P87 HydrophobicContact CE3-CB 4.46Å; W5-P87 HydrophobicContact CE3-CG 3.79Å; W5-P87 VanDerWaalsContact CH2-CD 3.47Å; W5-P87 HydrophobicContact CH2-CG 3.64Å; W5-P87 HydrophobicContact CZ2-CG 4.35Å; W5-P87 HydrophobicContact CZ3-CB 4.31Å; W5-P87 HydrophobicContact CZ3-CG 3.34Å; I9-P87 HydrophobicContact CD1-CB 4.36Å; I9-P87 HydrophobicContact CG1-CB 4.09Å; P87-G89 PolarHBondContact O-N 3.26Å; P87-L91 HydrophobicContact CB-CD2 4.31Å; P87-M306 HydrophobicContact CB-CE 3.62Å; P87-M306 HydrophobicContact CG-CE 3.63Å
88	S	62.9	Low	49.6	Very low	24 Å²	24	62.3 Å²	62.3	17%	0.168	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-54.3	137.4	164.6	56.5	0	0	0	0	109	S20 G90 L91 E121	S20-S88 WeakPolarHBondContact OG-CB 3.47Å; S20-S88 PolarHBondContact OG-OG 3.3Å; S88-G90 PolarHBondContact O-N 2.95Å; S88-G90 VanDerWaalsContact O-N 3.17Å; S88-L91 PolarHBondContact O-N 3.18Å; S88-L91 VanDerWaalsContact OG-CB 3.29Å; S88-L91 WeakPolarHBondContact OG-CB 3.28Å; S88-L91 PolarHBondContact OG-N 3.03Å; S88-E121 WeakPolarHBondContact CB-OE2 3.46Å
89	G	57.9	Low	50.2	Low	22 Å²	22	57.8 Å²	57.8	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-25.3	175.4	0	0	0	0	0	111.2	P87 L91 I92 I93	P87-G89 PolarHBondContact O-N 3.26Å; G89-L91 PolarHBondContact O-N 2.93Å; G89-I92 WeakPolarHBondContact O-CB 3.38Å; G89-I92 PolarHBondContact O-N 3.28Å; G89-I93 PolarHBondContact O-N 3.35Å
90	G	57.5	Low	51.1	Low	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-39.6	171.1	0	0	0	0	0	115.1	S88 I92 I93 L94 S117	S88-G90 PolarHBondContact O-N 2.95Å; S88-G90 VanDerWaalsContact O-N 3.17Å; G90-I92 PolarHBondContact O-N 2.74Å; G90-I93 WeakPolarHBondContact O-CB 3.2Å; G90-I93 PolarHBondContact O-N 3.35Å; G90-I93 VanDerWaalsContact O-N 3.1Å; G90-L94 PolarHBondContact O-N 3.23Å; G90-S117 WeakPolarHBondContact CA-OG 3.2Å; G90-S117 PolarHBondContact O-OG 2.82Å
91	L	62.5	Low	52	Low	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-30.6	179.9	-177.7	142.3	0	0	0	112	I9 A12 E13 L16 P87 S88 G89 L94 L95 M306	I9-L91 HydrophobicContact CG2-CD1 4.1Å; A12-L91 HydrophobicContact CB-CD1 3.91Å; A12-L91 HydrophobicContact CB-CD2 3.55Å; A12-L91 HydrophobicContact CB-CG 3.94Å; E13-L91 HydrophobicContact CG-CD1 4.18Å; L16-L91 HydrophobicContact CD1-CG 4.44Å; P87-L91 HydrophobicContact CB-CD2 4.31Å; S88-L91 PolarHBondContact O-N 3.18Å; S88-L91 VanDerWaalsContact OG-CB 3.29Å; S88-L91 WeakPolarHBondContact OG-CB 3.28Å; S88-L91 PolarHBondContact OG-N 3.03Å; G89-L91 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.4Å; L91-L95 HydrophobicContact CD2-CD1 3.85Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.41Å; L91-L95 VanDerWaalsContact O-N 3.11Å; L91-M306 HydrophobicContact CD2-CE 3.37Å; L91-M306 HydrophobicContact CD2-SD 3.83Å
92	I	62.1	Low	52.6	Low	56 Å²	56	48.5 Å²	48.5	29%	0.287	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-45.2	172.9	-58.8	173.8	0	0	0	110.5	G89 G90 L94 L95 V96 L303 M306	G89-I92 WeakPolarHBondContact O-CB 3.38Å; G89-I92 PolarHBondContact O-N 3.28Å; G90-I92 PolarHBondContact O-N 2.74Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 2.99Å; I92-L95 PolarHBondContact O-N 3.21Å; I92-V96 HydrophobicContact CG2-CG2 4.44Å; I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.29Å; I92-L303 HydrophobicContact CG2-CD1 4.19Å; I92-M306 HydrophobicContact CG1-CE 4.17Å
93	I	58.2	Low	53.5	Low	33 Å²	33	48.4 Å²	48.4	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-42.8	177.6	-64.5	170.9	0	0	0	110.8	G89 G90 G97 I116 F120	G89-I93 PolarHBondContact O-N 3.35Å; G90-I93 WeakPolarHBondContact O-CB 3.2Å; G90-I93 PolarHBondContact O-N 3.35Å; G90-I93 VanDerWaalsContact O-N 3.1Å; I93-G97 PolarHBondContact O-N 3.45Å; I93-I116 HydrophobicContact CG2-CG2 4.25Å; I93-F120 HydrophobicContact CD1-CB 3.59Å; I93-F120 HydrophobicContact CD1-CD1 4.16Å; I93-F120 HydrophobicContact CD1-CD2 3.55Å; I93-F120 HydrophobicContact CD1-CE2 4.19Å; I93-F120 HydrophobicContact CD1-CG 3.49Å; I93-F120 VanDerWaalsContact CD1-CG 3.49Å
94	L	60.4	Low	54.2	Low	4 Å²	4	47.7 Å²	47.7	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-44.8	177.3	-81.5	-170.8	0	0	0	112.9	L16 P21 G90 L91 I92 G97 Q98 H113 R114	L16-L94 HydrophobicContact CD1-CB 3.51Å; L16-L94 HydrophobicContact CD1-CD1 3.83Å; L16-L94 HydrophobicContact CD1-CG 4.36Å; L16-L94 HydrophobicContact CD2-CB 3.75Å; L16-L94 WeakPolarHBondContact CD2-O 3.42Å; L16-L94 HydrophobicContact CG-CB 4.25Å; P21-L94 HydrophobicContact CG-CD1 3.42Å; P21-L94 VanDerWaalsContact CG-CD1 3.42Å; P21-L94 HydrophobicContact CG-CG 3.82Å; G90-L94 PolarHBondContact O-N 3.23Å; L91-L94 PolarHBondContact O-N 3.4Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 2.99Å; L94-G97 PolarHBondContact O-N 2.9Å; L94-Q98 PolarHBondContact O-N 2.92Å; L94-H113 HydrophobicContact CD2-CB 4.07Å; L94-R114 HydrophobicContact CD2-CB 3.98Å; L94-R114 HydrophobicContact CD2-CG 4.47Å
95	L	59.2	Low	54.5	Low	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-41.9	179.7	-73.3	173.1	0	0	0	112.4	A12 L15 L16 L91 I92 G97 Q98 S99 L302 L303 M306	A12-L95 HydrophobicContact CB-CD1 3.89Å; A12-L95 HydrophobicContact CB-CD2 3.99Å; A12-L95 HydrophobicContact CB-CG 4.24Å; L15-L95 HydrophobicContact CD2-CD2 4.03Å; L16-L95 HydrophobicContact CD1-CD2 4.04Å; L16-L95 HydrophobicContact CD1-CG 4.14Å; L16-L95 HydrophobicContact CD2-CD2 4.34Å; L16-L95 HydrophobicContact CG-CD2 4.07Å; L91-L95 HydrophobicContact CD2-CD1 3.85Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.41Å; L91-L95 VanDerWaalsContact O-N 3.11Å; I92-L95 PolarHBondContact O-N 3.21Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-Q98 PolarHBondContact O-N 3.27Å; L95-S99 PolarHBondContact O-N 3Å; L95-S99 VanDerWaalsContact O-N 3.1Å; L95-S99 PolarHBondContact O-OG 3.34Å; L95-L302 HydrophobicContact CD1-CD2 4.46Å; L95-L302 HydrophobicContact CD2-CD2 4.03Å; L95-L303 HydrophobicContact CB-CD1 4.46Å; L95-M306 HydrophobicContact CD1-CE 4.32Å; L95-M306 HydrophobicContact CD1-SD 3.31Å; L95-M306 WeakPolarHBondContact CD1-SD 3.14Å
96	V	56.6	Low	54.5	Low	24 Å²	24	47.5 Å²	47.5	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-51.2	171.2	170.3	0	0	0	0	108.9	I92 Q98 S99 Y100 L264 L303	I92-V96 HydrophobicContact CG2-CG2 4.44Å; I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.29Å; V96-Q98 VanDerWaalsContact C-N 3.3Å; V96-Q98 PolarHBondContact O-N 3.27Å; V96-S99 WeakPolarHBondContact O-CB 3.4Å; V96-S99 PolarHBondContact O-N 3.11Å; V96-Y100 HydrophobicContact CG1-CD2 4.17Å; V96-Y100 HydrophobicContact CG1-CE2 4.02Å; V96-Y100 WeakPolarHBondContact O-CD2 2.99Å; V96-Y100 PolarHBondContact O-N 3.49Å; V96-L264 HydrophobicContact CG1-CD2 3.79Å; V96-L264 HydrophobicContact CG2-CD2 4.22Å; V96-L303 HydrophobicContact CG2-CD1 4.44Å; V96-L303 HydrophobicContact CG2-CD2 3.85Å
97	G	55.5	Low	54.6	Low	2 Å²	2	47.6 Å²	47.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-36.6	-178.3	0	0	0	0	0	114.8	I93 L94 L95 Y100 A101 H113	I93-G97 PolarHBondContact O-N 3.45Å; L94-G97 PolarHBondContact O-N 2.9Å; L95-G97 VanDerWaalsContact C-N 3.31Å; G97-Y100 PolarHBondContact O-N 3.06Å; G97-A101 PolarHBondContact O-N 3.23Å; G97-H113 WeakPolarHBondContact CA-CE1 3.36Å; G97-H113 WeakPolarHBondContact CA-ND1 3.36Å; G97-H113 PolarHBondContact O-CE1 3.01Å; G97-H113 PolarHBondContact O-ND1 3.49Å
98	Q	56.1	Low	54.3	Low	67 Å²	67	52 Å²	52	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-69.7	-34	174.7	-173.1	175.1	25.9	0	0	112.2	L15 L16 L94 L95 V96 Y100 A101	L15-Q98 VanDerWaalsContact CD2-OE1 3.3Å; L15-Q98 VanDerWaalsContact CG-OE1 3.26Å; L15-Q98 PolarHBondContact O-NE2 3.19Å; L16-Q98 HydrophobicContact CD2-CB 4.03Å; L16-Q98 VanDerWaalsContact CD2-OE1 3.27Å; L94-Q98 PolarHBondContact O-N 2.92Å; L95-Q98 PolarHBondContact O-N 3.27Å; V96-Q98 VanDerWaalsContact C-N 3.3Å; V96-Q98 PolarHBondContact O-N 3.27Å; Q98-Y100 PolarHBondContact O-N 3.48Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.06Å; Q98-A101 VanDerWaalsContact O-N 3.15Å
99	S	51.5	Low	53.7	Low	36 Å²	36	53 Å²	53	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-25.9	178.2	-56.2	0	0	0	0	112.3	L95 V96	L95-S99 PolarHBondContact O-N 3Å; L95-S99 VanDerWaalsContact O-N 3.1Å; L95-S99 PolarHBondContact O-OG 3.34Å; V96-S99 WeakPolarHBondContact O-CB 3.4Å; V96-S99 PolarHBondContact O-N 3.11Å
100	Y	48.1	Very low	53.7	Low	101 Å²	101	54.4 Å²	54.4	40%	0.396	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.3	174.2	-78.9	-87.4	0	0	0	114.6	V96 G97 Q98 S102 Y267	V96-Y100 HydrophobicContact CG1-CD2 4.17Å; V96-Y100 HydrophobicContact CG1-CE2 4.02Å; V96-Y100 WeakPolarHBondContact O-CD2 2.99Å; V96-Y100 PolarHBondContact O-N 3.49Å; G97-Y100 PolarHBondContact O-N 3.06Å; Q98-Y100 PolarHBondContact O-N 3.48Å; Y100-S102 PolarHBondContact O-N 3.08Å; Y100-Y267 HydrophobicContact CE1-CD2 4.22Å; Y100-Y267 AromaticContact CE1-CE1 3.98Å; Y100-Y267 HydrophobicContact CE1-CE1 3.98Å; Y100-Y267 AromaticContact CE1-CE2 3.46Å; Y100-Y267 HydrophobicContact CE1-CE2 3.46Å; Y100-Y267 VanDerWaalsContact CE1-CE2 3.46Å; Y100-Y267 AromaticContact CE1-CZ 3.32Å; Y100-Y267 VanDerWaalsContact CE1-OH 3.3Å; Y100-Y267 WeakPolarHBondContact CE1-OH 3.41Å; Y100-Y267 HydrophobicContact CE2-CD1 4.41Å; Y100-Y267 HydrophobicContact CE2-CE1 4.02Å; Y100-Y267 AromaticContact CZ-CD1 3.84Å; Y100-Y267 AromaticContact CZ-CD2 3.93Å; Y100-Y267 AromaticContact CZ-CE1 3.45Å; Y100-Y267 VanDerWaalsContact CZ-CE1 3.45Å; Y100-Y267 AromaticContact CZ-CE2 3.55Å; Y100-Y267 AromaticContact CZ-CZ 3.29Å; Y100-Y267 WeakPolarHBondContact OH-CD1 3.22Å; Y100-Y267 WeakPolarHBondContact OH-CD2 3.32Å; Y100-Y267 WeakPolarHBondContact OH-CE1 3.49Å; Y100-Y267 WeakPolarHBondContact OH-CE2 3.27Å
101	A	47.9	Very low	54.1	Low	27 Å²	27	57.4 Å²	57.4	22%	0.223	33%	0.333	C	S	.	.			trans	-72	98	-177.1	0	0	0	0	0	110.8	G97 Q98 L109	G97-A101 PolarHBondContact O-N 3.23Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.06Å; Q98-A101 VanDerWaalsContact O-N 3.15Å; A101-L109 HydrophobicContact CB-CD2 3.9Å
102	S	41.6	Very low	54.1	Low	65 Å²	65	60 Å²	60	46%	0.455	35%	0.345	S	S	.	.			trans	-53.7	137.7	166.6	-179	0	0	0	0	109.7	Y100 T104 N105	Y100-S102 PolarHBondContact O-N 3.08Å; S102-T104 PolarHBondContact O-N 2.9Å; S102-N105 PolarHBondContact O-N 3.28Å
103	P	50.2	Low	54.2	Low	124 Å²	124	59.2 Å²	59.2	81%	0.805	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-17.3	-172.5	15.6	-29.1	0	0	0	114.6
104	T	46.1	Very low	54.8	Low	113 Å²	113	60.1 Å²	60.1	69%	0.693	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-16.3	-177.4	57.4	0	0	0	0	115.3	S102	S102-T104 PolarHBondContact O-N 2.9Å
105	N	49.2	Very low	55.1	Low	118 Å²	118	62 Å²	62	63%	0.631	35%	0.354	S	S	*	.	S	Bend	trans	-130.7	19.4	-174	-78.5	-34.4	0	0	0	114.3	S102 T107	S102-N105 PolarHBondContact O-N 3.28Å; N105-T107 PolarHBondContact O-N 3.42Å
106	S	54.5	Low	55.2	Low	54 Å²	54	65.9 Å²	65.9	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-33	-165.5	59.6	0	0	0	0	115.6	C110	S106-C110 WeakPolarHBondContact O-CB 3.48Å; S106-C110 PolarHBondContact O-N 3.31Å; S106-C110 VanDerWaalsContact O-N 3.08Å
107	T	53.4	Low	55.6	Low	117 Å²	117	64.7 Å²	64.7	72%	0.718	37%	0.367	S	S	*	.	H	α-helix	trans	-74.1	-43.7	-172.2	56.4	0	0	0	0	113.2	N105 C110 S111	N105-T107 PolarHBondContact O-N 3.42Å; T107-C110 PolarHBondContact O-N 2.81Å; T107-S111 PolarHBondContact O-N 3.45Å
108	K	48.2	Very low	56.3	Low	105 Å²	105	66.5 Å²	66.5	46%	0.457	38%	0.375	S	S	.	.	H	α-helix	trans	-71.6	-38.3	179.6	-172.1	177.1	-179.4	-179.6	0	111.9	C110 S111 Q112 N185	K108-C110 VanDerWaalsContact C-N 3.33Å; K108-S111 PolarHBondContact O-N 2.77Å; K108-S111 PolarHBondContact O-OG 2.91Å; K108-Q112 PolarHBondContact O-N 3.45Å; K108-N185 VanDerWaalsContact NZ-CG 3.34Å; K108-N185 PolarHBondContact NZ-ND2 2.98Å; K108-N185 PolarHBondContact NZ-OD1 3.43Å
109	L	50.2	Low	56.8	Low	45 Å²	45	64.2 Å²	64.2	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-38.5	176.6	-170.7	65.6	0	0	0	110.8	A101 S111 Q112 H113	A101-L109 HydrophobicContact CB-CD2 3.9Å; L109-S111 PolarHBondContact O-N 2.85Å; L109-Q112 PolarHBondContact O-N 2.74Å; L109-H113 WeakPolarHBondContact CD1-CE1 3.39Å; L109-H113 WeakPolarHBondContact CG-CE1 2.86Å; L109-H113 WeakPolarHBondContact O-CB 3.47Å; L109-H113 VanDerWaalsContact O-CG 3.23Å; L109-H113 PolarHBondContact O-N 3.38Å; L109-H113 PolarHBondContact O-ND1 2.87Å
110	C	59.3	Low	57.5	Low	51 Å²	51	65.1 Å²	65.1	35%	0.345	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-41	174.3	-173.3	0	0	0	0	112.7	S106 T107 K108 R114	S106-C110 WeakPolarHBondContact O-CB 3.48Å; S106-C110 PolarHBondContact O-N 3.31Å; S106-C110 VanDerWaalsContact O-N 3.08Å; T107-C110 PolarHBondContact O-N 2.81Å; K108-C110 VanDerWaalsContact C-N 3.33Å; C110-R114 VanDerWaalsContact O-CB 3.27Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 PolarHBondContact O-N 2.93Å
111	S	65.9	Low	58.6	Low	64 Å²	64	61.1 Å²	61.1	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-36.7	179.9	68	0	0	0	0	113.4	T107 K108 L109 R114 S115	T107-S111 PolarHBondContact O-N 3.45Å; K108-S111 PolarHBondContact O-N 2.77Å; K108-S111 PolarHBondContact O-OG 2.91Å; L109-S111 PolarHBondContact O-N 2.85Å; S111-R114 PolarHBondContact O-N 3.18Å; S111-S115 PolarHBondContact O-N 3.25Å; S111-S115 PolarHBondContact O-OG 2.86Å
112	Q	61.8	Low	59.6	Low	54 Å²	54	60.3 Å²	60.3	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-47	173.8	-73.8	175.7	-40	0	0	111.7	K108 L109 R114 S115 I116 N182	K108-Q112 PolarHBondContact O-N 3.45Å; L109-Q112 PolarHBondContact O-N 2.74Å; Q112-R114 VanDerWaalsContact C-N 3.26Å; Q112-R114 PolarHBondContact O-N 3.45Å; Q112-S115 PolarHBondContact O-N 3.04Å; Q112-I116 WeakPolarHBondContact O-CG1 3.47Å; Q112-I116 PolarHBondContact O-N 3.32Å; Q112-N182 PolarHBondContact NE2-OD1 3.17Å
113	H	63.3	Low	60.8	Low	39 Å²	39	58 Å²	58	18%	0.181	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-38.3	175.5	-68	145.3	0	0	0	112	L94 G97 L109 I116 S117	L94-H113 HydrophobicContact CD2-CB 4.07Å; G97-H113 WeakPolarHBondContact CA-CE1 3.36Å; G97-H113 WeakPolarHBondContact CA-ND1 3.36Å; G97-H113 PolarHBondContact O-CE1 3.01Å; G97-H113 PolarHBondContact O-ND1 3.49Å; L109-H113 WeakPolarHBondContact CD1-CE1 3.39Å; L109-H113 WeakPolarHBondContact CG-CE1 2.86Å; L109-H113 WeakPolarHBondContact O-CB 3.47Å; L109-H113 VanDerWaalsContact O-CG 3.23Å; L109-H113 PolarHBondContact O-N 3.38Å; L109-H113 PolarHBondContact O-ND1 2.87Å; H113-I116 PolarHBondContact O-N 2.81Å; H113-S117 WeakPolarHBondContact O-CB 3.35Å; H113-S117 PolarHBondContact O-N 3.1Å
114	R	71.5	Confident	61.7	Low	53 Å²	53	56.5 Å²	56.5	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-44.5	174.8	-166.2	170.6	-165.9	91.3	10.7	112	P19 L94 C110 S111 Q112 S117 E118	P19-R114 PolarHBondContact O-NH2 3.38Å; L94-R114 HydrophobicContact CD2-CB 3.98Å; L94-R114 HydrophobicContact CD2-CG 4.47Å; C110-R114 VanDerWaalsContact O-CB 3.27Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 PolarHBondContact O-N 2.93Å; S111-R114 PolarHBondContact O-N 3.18Å; Q112-R114 VanDerWaalsContact C-N 3.26Å; Q112-R114 PolarHBondContact O-N 3.45Å; R114-S117 WeakPolarHBondContact O-CB 3.23Å; R114-S117 PolarHBondContact O-N 3.46Å; R114-E118 IonicContact NE-OE1 2.64Å; R114-E118 WeakPolarHBondContact O-CG 3.2Å; R114-E118 PolarHBondContact O-N 3.48Å
115	S	66.5	Low	63	Low	42 Å²	42	51.1 Å²	51.1	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-46	177.4	-57	0	0	0	0	112.4	S111 Q112 S117 E118 I119	S111-S115 PolarHBondContact O-N 3.25Å; S111-S115 PolarHBondContact O-OG 2.86Å; Q112-S115 PolarHBondContact O-N 3.04Å; S115-S117 PolarHBondContact O-N 3.47Å; S115-E118 PolarHBondContact O-N 3.37Å; S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.6Å
116	I	62.7	Low	64	Low	82 Å²	82	45.5 Å²	45.5	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-40.8	175.1	-68.9	167.5	0	0	0	110.1	I93 Q112 H113 I119 F120 L178	I93-I116 HydrophobicContact CG2-CG2 4.25Å; Q112-I116 WeakPolarHBondContact O-CG1 3.47Å; Q112-I116 PolarHBondContact O-N 3.32Å; H113-I116 PolarHBondContact O-N 2.81Å; I116-I119 WeakPolarHBondContact O-CB 3.1Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-F120 WeakPolarHBondContact O-CB 3.41Å; I116-F120 PolarHBondContact O-N 2.92Å; I116-L178 HydrophobicContact CG1-CD1 4.04Å
117	S	63.7	Low	64.6	Low	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-35.2	179.7	-175.9	0	0	0	0	113.8	P21 G90 H113 R114 S115 F120 E121	P21-S117 WeakPolarHBondContact CB-OG 3.13Å; P21-S117 WeakPolarHBondContact CG-OG 3.28Å; G90-S117 WeakPolarHBondContact CA-OG 3.2Å; G90-S117 PolarHBondContact O-OG 2.82Å; H113-S117 WeakPolarHBondContact O-CB 3.35Å; H113-S117 PolarHBondContact O-N 3.1Å; R114-S117 WeakPolarHBondContact O-CB 3.23Å; R114-S117 PolarHBondContact O-N 3.46Å; S115-S117 PolarHBondContact O-N 3.47Å; S117-F120 PolarHBondContact O-N 2.85Å; S117-E121 PolarHBondContact O-N 3Å; S117-E121 VanDerWaalsContact O-N 3.1Å
118	E	71.3	Confident	65.3	Low	39 Å²	39	39.7 Å²	39.7	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-39.3	173.7	-73	172.8	-171.6	0	0	110.8	P21 R114 S115 E121 T122	P21-E118 HydrophobicContact CB-CG 4.33Å; R114-E118 IonicContact NE-OE1 2.64Å; R114-E118 WeakPolarHBondContact O-CG 3.2Å; R114-E118 PolarHBondContact O-N 3.48Å; S115-E118 PolarHBondContact O-N 3.37Å; E118-E121 PolarHBondContact O-N 3.23Å; E118-T122 WeakPolarHBondContact O-CB 3.19Å; E118-T122 PolarHBondContact O-N 2.81Å; E118-T122 PolarHBondContact O-OG1 2.74Å
119	I	66.8	Low	66.5	Low	19 Å²	19	35 Å²	35	10%	0.097	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-47.4	172.8	-71.2	167.9	0	0	0	110.4	S115 I116 E121 T122 V123 V171 L175 L178	S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.6Å; I116-I119 WeakPolarHBondContact O-CB 3.1Å; I116-I119 PolarHBondContact O-N 3.49Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 2.94Å; I119-T122 PolarHBondContact O-N 3.33Å; I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.19Å; I119-V123 PolarHBondContact O-N 3.46Å; I119-V171 HydrophobicContact CG2-CG1 3.79Å; I119-V171 HydrophobicContact CG2-CG2 4.44Å; I119-L175 HydrophobicContact CD1-CD2 3.85Å; I119-L175 HydrophobicContact CD1-CG 4.08Å; I119-L175 HydrophobicContact CG2-CD2 4.26Å; I119-L175 HydrophobicContact CG2-CG 4.35Å; I119-L178 HydrophobicContact CD1-CD1 3.36Å; I119-L178 HydrophobicContact CD1-CG 4.36Å
120	F	65.8	Low	67.6	Low	55 Å²	55	33.7 Å²	33.7	24%	0.241	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-48	178.2	-176.9	-81.9	0	0	0	111.6	I93 I116 S117 T122 V123 H124 Y253	I93-F120 HydrophobicContact CD1-CB 3.59Å; I93-F120 HydrophobicContact CD1-CD1 4.16Å; I93-F120 HydrophobicContact CD1-CD2 3.55Å; I93-F120 HydrophobicContact CD1-CE2 4.19Å; I93-F120 HydrophobicContact CD1-CG 3.49Å; I93-F120 VanDerWaalsContact CD1-CG 3.49Å; I116-F120 WeakPolarHBondContact O-CB 3.41Å; I116-F120 PolarHBondContact O-N 2.92Å; S117-F120 PolarHBondContact O-N 2.85Å; F120-T122 VanDerWaalsContact C-N 3.29Å; F120-T122 PolarHBondContact O-N 3.03Å; F120-V123 PolarHBondContact O-N 3.23Å; F120-H124 WeakPolarHBondContact O-CB 3.26Å; F120-H124 PolarHBondContact O-N 3.4Å; F120-Y253 AromaticContact CD2-CE2 3.98Å; F120-Y253 HydrophobicContact CD2-CE2 3.98Å; F120-Y253 AromaticContact CE2-CE2 3.86Å; F120-Y253 HydrophobicContact CE2-CE2 3.86Å; F120-Y253 AromaticContact CE2-CZ 3.64Å; F120-Y253 WeakPolarHBondContact CE2-OH 3.12Å; F120-Y253 WeakPolarHBondContact CZ-OH 3.42Å
121	E	70.3	Confident	68.2	Low	18 Å²	18	38.9 Å²	38.9	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-68	-31.7	-179.5	-159.7	57.6	-137.1	0	0	112.3	S88 S117 E118 I119 H124 T125	S88-E121 WeakPolarHBondContact CB-OE2 3.46Å; S117-E121 PolarHBondContact O-N 3Å; S117-E121 VanDerWaalsContact O-N 3.1Å; E118-E121 PolarHBondContact O-N 3.23Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 2.94Å; E121-H124 IonicContact OE1-ND1 3.31Å; E121-H124 PolarHBondContact OE1-ND1 3.26Å; E121-T125 WeakPolarHBondContact O-CB 3.41Å; E121-T125 PolarHBondContact O-N 3.41Å; E121-T125 PolarHBondContact O-OG1 3.35Å
122	T	69.9	Low	68.5	Low	9 Å²	9	36 Å²	36	6%	0.055	18%	0.178	C	C	.	.	H	α-helix	trans	-68.1	-44.2	175	-54.1	0	0	0	0	111.5	I23 E118 I119 F120 T125 A126 L167 V171	I23-T122 HydrophobicContact CG2-CG2 4.29Å; E118-T122 WeakPolarHBondContact O-CB 3.19Å; E118-T122 PolarHBondContact O-N 2.81Å; E118-T122 PolarHBondContact O-OG1 2.74Å; I119-T122 PolarHBondContact O-N 3.33Å; F120-T122 VanDerWaalsContact C-N 3.29Å; F120-T122 PolarHBondContact O-N 3.03Å; T122-T125 PolarHBondContact O-N 3.39Å; T122-A126 WeakPolarHBondContact O-CB 3.14Å; T122-A126 PolarHBondContact O-N 2.76Å; T122-L167 HydrophobicContact CG2-CB 4.07Å; T122-L167 HydrophobicContact CG2-CD2 3.89Å; T122-V171 HydrophobicContact CG2-CG2 3.53Å
123	V	66.9	Low	69.1	Low	18 Å²	18	36 Å²	36	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-48.5	173.4	173.3	0	0	0	0	110.6	I119 F120 T125 A126 V127 V171 Y253	I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.19Å; I119-V123 PolarHBondContact O-N 3.46Å; F120-V123 PolarHBondContact O-N 3.23Å; V123-T125 VanDerWaalsContact C-N 3.26Å; V123-T125 PolarHBondContact O-N 3.1Å; V123-A126 PolarHBondContact O-N 3.46Å; V123-A126 VanDerWaalsContact O-N 3.13Å; V123-V127 HydrophobicContact CG1-CG2 4.33Å; V123-V127 WeakPolarHBondContact O-CG2 3.11Å; V123-V127 PolarHBondContact O-N 2.73Å; V123-V171 HydrophobicContact CG2-CB 4.32Å; V123-V171 HydrophobicContact CG2-CG1 3.79Å; V123-V171 HydrophobicContact CG2-CG2 3.74Å; V123-Y253 HydrophobicContact CG1-CD2 4.39Å; V123-Y253 HydrophobicContact CG1-CE2 4.33Å
124	H	68.6	Low	69.7	Low	91 Å²	91	35.7 Å²	35.7	42%	0.421	18%	0.18	S	C	.	.	H	α-helix	trans	-55.1	-44.2	178.6	176	-109.3	0	0	0	111.5	F120 E121 A128	F120-H124 WeakPolarHBondContact O-CB 3.26Å; F120-H124 PolarHBondContact O-N 3.4Å; E121-H124 IonicContact OE1-ND1 3.31Å; E121-H124 PolarHBondContact OE1-ND1 3.26Å; H124-A128 WeakPolarHBondContact O-CB 3.38Å; H124-A128 PolarHBondContact O-N 3.07Å
125	T	73.9	Confident	70	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-40.8	176.9	-59.4	0	0	0	0	112.9	I23 C58 E121 T122 V123 V127 A128 I129 L167	I23-T125 HydrophobicContact CD1-CG2 3.36Å; I23-T125 WeakPolarHBondContact CD1-OG1 3.26Å; C58-T125 HydrophobicContact CB-CG2 3.48Å; C58-T125 VanDerWaalsContact CB-CG2 3.48Å; E121-T125 WeakPolarHBondContact O-CB 3.41Å; E121-T125 PolarHBondContact O-N 3.41Å; E121-T125 PolarHBondContact O-OG1 3.35Å; T122-T125 PolarHBondContact O-N 3.39Å; V123-T125 VanDerWaalsContact C-N 3.26Å; V123-T125 PolarHBondContact O-N 3.1Å; T125-V127 VanDerWaalsContact C-N 3.34Å; T125-V127 PolarHBondContact O-N 3.48Å; T125-A128 PolarHBondContact O-N 3.04Å; T125-I129 HydrophobicContact CG2-CD1 3.75Å; T125-I129 HydrophobicContact CG2-CG1 4.32Å; T125-I129 WeakPolarHBondContact O-CB 3.41Å; T125-I129 VanDerWaalsContact O-CG1 3.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.29Å; T125-L167 HydrophobicContact CG2-CD1 4.03Å
126	A	69.2	Low	70.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-47.2	177	0	0	0	0	0	111.1	T122 V123 A128 I129 H130 L167 L168	T122-A126 WeakPolarHBondContact O-CB 3.14Å; T122-A126 PolarHBondContact O-N 2.76Å; V123-A126 PolarHBondContact O-N 3.46Å; V123-A126 VanDerWaalsContact O-N 3.13Å; A126-A128 PolarHBondContact O-N 3.21Å; A126-I129 PolarHBondContact O-N 3.4Å; A126-H130 PolarHBondContact O-N 3.3Å; A126-L167 HydrophobicContact CB-CB 3.77Å; A126-L167 HydrophobicContact CB-CD1 4.22Å; A126-L168 HydrophobicContact CB-CD2 3.8Å; A126-L168 HydrophobicContact CB-CG 3.82Å
127	V	67.7	Low	70.8	Confident	26 Å²	26	38 Å²	38	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.1	172.9	0	0	0	0	111.1	V123 T125 I129 H130 K131 L250	V123-V127 HydrophobicContact CG1-CG2 4.33Å; V123-V127 WeakPolarHBondContact O-CG2 3.11Å; V123-V127 PolarHBondContact O-N 2.73Å; T125-V127 VanDerWaalsContact C-N 3.34Å; T125-V127 PolarHBondContact O-N 3.48Å; V127-I129 VanDerWaalsContact C-N 3.33Å; V127-I129 PolarHBondContact O-N 2.91Å; V127-H130 PolarHBondContact O-N 3.35Å; V127-K131 HydrophobicContact CG1-CD 4.13Å; V127-K131 HydrophobicContact CG1-CG 4.47Å; V127-K131 WeakPolarHBondContact O-CB 2.88Å; V127-K131 WeakPolarHBondContact O-CG 3.4Å; V127-K131 PolarHBondContact O-N 3.28Å; V127-L250 HydrophobicContact CG1-CD2 4.31Å; V127-L250 HydrophobicContact CG2-CD2 4.15Å
128	A	68.3	Low	71.2	Confident	23 Å²	23	43 Å²	43	19%	0.19	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-45.9	176.2	0	0	0	0	0	111.1	T54 H124 T125 A126 H130 K131 S132	T54-A128 VanDerWaalsContact CG2-C 3.48Å; T54-A128 HydrophobicContact CG2-CB 3.75Å; T54-A128 WeakPolarHBondContact CG2-O 3.33Å; H124-A128 WeakPolarHBondContact O-CB 3.38Å; H124-A128 PolarHBondContact O-N 3.07Å; T125-A128 PolarHBondContact O-N 3.04Å; A126-A128 PolarHBondContact O-N 3.21Å; A128-H130 PolarHBondContact O-N 3.39Å; A128-K131 WeakPolarHBondContact O-CB 3.14Å; A128-K131 PolarHBondContact O-N 3.24Å; A128-S132 PolarHBondContact O-N 3.36Å; A128-S132 VanDerWaalsContact O-N 3.15Å
129	I	73.4	Confident	71.1	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-44.4	176.4	-74.7	168.7	0	0	0	111.2	F51 T54 V55 T125 A126 V127 K131 S132 A160 L167	F51-I129 HydrophobicContact CD2-CG2 3.92Å; F51-I129 HydrophobicContact CE2-CG2 3.8Å; T54-I129 HydrophobicContact CG2-CG1 4.37Å; V55-I129 HydrophobicContact CG2-CD1 3.88Å; V55-I129 HydrophobicContact CG2-CG1 3.87Å; T125-I129 HydrophobicContact CG2-CD1 3.75Å; T125-I129 HydrophobicContact CG2-CG1 4.32Å; T125-I129 WeakPolarHBondContact O-CB 3.41Å; T125-I129 VanDerWaalsContact O-CG1 3.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.29Å; A126-I129 PolarHBondContact O-N 3.4Å; V127-I129 VanDerWaalsContact C-N 3.33Å; V127-I129 PolarHBondContact O-N 2.91Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.45Å; I129-S132 VanDerWaalsContact O-CB 3.29Å; I129-S132 WeakPolarHBondContact O-CB 3.43Å; I129-S132 PolarHBondContact O-N 2.86Å; I129-S132 VanDerWaalsContact O-N 3.08Å; I129-S132 PolarHBondContact O-OG 2.76Å; I129-A160 HydrophobicContact CG2-CB 4.23Å; I129-A160 WeakPolarHBondContact CG2-O 3.43Å; I129-L167 HydrophobicContact CD1-CD1 3.57Å
130	H	73.1	Confident	70.8	Confident	16 Å²	16	46.6 Å²	46.6	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-35.6	175.3	-72.7	164.7	0	0	0	112.6	A126 V127 A128 S132 L133 T161 G164 D165	A126-H130 PolarHBondContact O-N 3.3Å; V127-H130 PolarHBondContact O-N 3.35Å; A128-H130 PolarHBondContact O-N 3.39Å; H130-S132 PolarHBondContact O-N 3.08Å; H130-L133 WeakPolarHBondContact O-CB 3.27Å; H130-L133 WeakPolarHBondContact O-CD1 3.11Å; H130-L133 WeakPolarHBondContact O-CG 2.8Å; H130-L133 PolarHBondContact O-N 3.18Å; H130-T161 PolarHBondContact NE2-O 3.31Å; H130-T161 VanDerWaalsContact NE2-O 3.11Å; H130-G164 WeakPolarHBondContact NE2-CA 3.44Å; H130-D165 IonicContact CE1-OD1 3.03Å; H130-D165 PolarHBondContact CE1-OD1 3.21Å; H130-D165 PolarHBondContact NE2-N 3.03Å; H130-D165 IonicContact NE2-OD1 3.99Å; H130-D165 PolarHBondContact NE2-OD1 3.12Å
131	K	70.7	Confident	70.4	Confident	160 Å²	160	51.3 Å²	51.3	70%	0.696	26%	0.263	S	S	*	.	H	α-helix	trans	-68.8	-12.7	173.2	-73.5	177.7	178	-178.2	0	114	V127 A128 I129 L133	V127-K131 HydrophobicContact CG1-CD 4.13Å; V127-K131 HydrophobicContact CG1-CG 4.47Å; V127-K131 WeakPolarHBondContact O-CB 2.88Å; V127-K131 WeakPolarHBondContact O-CG 3.4Å; V127-K131 PolarHBondContact O-N 3.28Å; A128-K131 WeakPolarHBondContact O-CB 3.14Å; A128-K131 PolarHBondContact O-N 3.24Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.45Å; K131-L133 PolarHBondContact O-N 3.06Å
132	S	74	Confident	69.6	Low	5 Å²	5	56 Å²	56	4%	0.035	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0	177.5	83.1	0	0	0	0	113.8	H49 F51 T54 A128 I129 H130	H49-S132 PolarHBondContact CE1-O 3.14Å; F51-S132 WeakPolarHBondContact CA-OG 3.46Å; F51-S132 PolarHBondContact N-OG 3.27Å; T54-S132 VanDerWaalsContact OG1-CB 3.32Å; T54-S132 WeakPolarHBondContact OG1-CB 3.08Å; A128-S132 PolarHBondContact O-N 3.36Å; A128-S132 VanDerWaalsContact O-N 3.15Å; I129-S132 VanDerWaalsContact O-CB 3.29Å; I129-S132 WeakPolarHBondContact O-CB 3.43Å; I129-S132 PolarHBondContact O-N 2.86Å; I129-S132 VanDerWaalsContact O-N 3.08Å; I129-S132 PolarHBondContact O-OG 2.76Å; H130-S132 PolarHBondContact O-N 3.08Å
133	L	74.4	Confident	68.9	Low	52 Å²	52	60 Å²	60	27%	0.272	31%	0.313	S	S	.	.			trans	-63.8	138.1	175.3	-68.5	172.7	0	0	0	110.8	H130 K131 N157 A160 T161	H130-L133 WeakPolarHBondContact O-CB 3.27Å; H130-L133 WeakPolarHBondContact O-CD1 3.11Å; H130-L133 WeakPolarHBondContact O-CG 2.8Å; H130-L133 PolarHBondContact O-N 3.18Å; K131-L133 PolarHBondContact O-N 3.06Å; L133-N157 WeakPolarHBondContact CA-OD1 3.39Å; L133-N157 HydrophobicContact CD2-CB 3.87Å; L133-N157 VanDerWaalsContact CD2-O 3.27Å; L133-N157 WeakPolarHBondContact CD2-O 3.37Å; L133-N157 WeakPolarHBondContact CD2-OD1 3.11Å; L133-A160 HydrophobicContact CD2-CB 3.79Å; L133-T161 WeakPolarHBondContact CD2-OG1 3.11Å
134	V	74.6	Confident	68.4	Low	34 Å²	34	67.2 Å²	67.2	21%	0.206	35%	0.351	C	S	.	.			trans	-107.2	133	179.5	-176.6	0	0	0	0	109.5	P50 I136 L139 N157	P50-V134 VanDerWaalsContact CD-CG2 3.43Å; P50-V134 HydrophobicContact CG-CG2 3.62Å; V134-I136 PolarHBondContact O-N 3.26Å; V134-L139 HydrophobicContact CG1-CD1 3.62Å; V134-L139 HydrophobicContact CG1-CD2 4.31Å; V134-L139 HydrophobicContact CG1-CG 3.99Å; V134-N157 PolarHBondContact N-OD1 2.75Å; V134-N157 PolarHBondContact O-ND2 2.95Å
135	N	77.4	Confident	67.8	Low	76 Å²	76	70 Å²	70	41%	0.406	37%	0.37	S	S	.	.			trans	-71.7	112.1	171.1	-178	7	0	0	0	109.8	N137 D138	N135-N137 PolarHBondContact O-N 2.77Å; N135-N137 WeakPolarHBondContact OD1-CB 3.4Å; N135-N137 PolarHBondContact OD1-N 2.7Å; N135-N137 VanDerWaalsContact OD1-N 3.15Å; N135-D138 HydrophobicContact CB-CB 4.43Å; N135-D138 VanDerWaalsContact CB-OD2 3.29Å; N135-D138 WeakPolarHBondContact CB-OD2 3.38Å; N135-D138 PolarHBondContact ND2-OD1 2.88Å; N135-D138 PolarHBondContact ND2-OD2 3.19Å; N135-D138 PolarHBondContact O-N 3.34Å
136	I	74.8	Confident	67.8	Low	37 Å²	37	72.3 Å²	72.3	19%	0.19	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-29.1	-177	-53.2	176.4	0	0	0	110.9	V134 D138 L139 N140 L150 E154	V134-I136 PolarHBondContact O-N 3.26Å; I136-D138 PolarHBondContact O-N 2.73Å; I136-L139 WeakPolarHBondContact O-CB 3.49Å; I136-L139 PolarHBondContact O-N 3.42Å; I136-N140 PolarHBondContact O-N 3.49Å; I136-L150 HydrophobicContact CG2-CD2 4.21Å; I136-E154 HydrophobicContact CD1-CB 3.69Å; I136-E154 HydrophobicContact CD1-CG 3.71Å
137	N	72.4	Confident	68.2	Low	113 Å²	113	78.2 Å²	78.2	60%	0.604	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-31.2	178.7	-63.5	-30.7	0	0	0	112.2	N135 L139	N135-N137 PolarHBondContact O-N 2.77Å; N135-N137 WeakPolarHBondContact OD1-CB 3.4Å; N135-N137 PolarHBondContact OD1-N 2.7Å; N135-N137 VanDerWaalsContact OD1-N 3.15Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.49Å
138	D	71.8	Confident	68.9	Low	105 Å²	105	81.8 Å²	81.8	56%	0.561	43%	0.431	S	S	*	.	H	α-helix	trans	-74.4	-22.8	177.6	-59.4	-17.9	0	0	0	111.2	N135 I136	N135-D138 HydrophobicContact CB-CB 4.43Å; N135-D138 VanDerWaalsContact CB-OD2 3.29Å; N135-D138 WeakPolarHBondContact CB-OD2 3.38Å; N135-D138 PolarHBondContact ND2-OD1 2.88Å; N135-D138 PolarHBondContact ND2-OD2 3.19Å; N135-D138 PolarHBondContact O-N 3.34Å; I136-D138 PolarHBondContact O-N 2.73Å
139	L	69.1	Low	69.6	Low	48 Å²	48	84.9 Å²	84.9	25%	0.251	44%	0.438	S	S	.	.	H	α-helix	trans	-86.1	-29.5	177.4	-60.8	177.7	0	0	0	113.1	V134 I136 N137 Q141 W149 L150 M153	V134-L139 HydrophobicContact CG1-CD1 3.62Å; V134-L139 HydrophobicContact CG1-CD2 4.31Å; V134-L139 HydrophobicContact CG1-CG 3.99Å; I136-L139 WeakPolarHBondContact O-CB 3.49Å; I136-L139 PolarHBondContact O-N 3.42Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.49Å; L139-Q141 PolarHBondContact O-N 3.37Å; L139-Q141 VanDerWaalsContact O-N 3.12Å; L139-W149 HydrophobicContact CB-CH2 4.4Å; L139-W149 HydrophobicContact CB-CZ3 4.11Å; L139-W149 HydrophobicContact CD1-CH2 3.76Å; L139-W149 HydrophobicContact CD1-CZ3 3.9Å; L139-W149 HydrophobicContact CD2-CH2 4.06Å; L139-W149 HydrophobicContact CG-CH2 4.3Å; L139-W149 HydrophobicContact CG-CZ3 4.44Å; L139-L150 HydrophobicContact CB-CD2 4.25Å; L139-M153 HydrophobicContact CD1-CB 4.5Å; L139-M153 HydrophobicContact CD1-CG 4.19Å
140	N	59.8	Low	70	Confident	84 Å²	84	86.3 Å²	86.3	45%	0.449	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.6	-175.7	-77	-15	0	0	0	114.6	I136 N142 L150	I136-N140 PolarHBondContact O-N 3.49Å; N140-N142 PolarHBondContact O-N 2.72Å; N140-L150 VanDerWaalsContact OD1-CD1 3.23Å; N140-L150 WeakPolarHBondContact OD1-CD1 2.85Å; N140-L150 WeakPolarHBondContact OD1-CD2 3.49Å
141	Q	57.7	Low	70.5	Confident	155 Å²	155	90.6 Å²	90.6	72%	0.724	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.2	-177.5	-63.9	-172.6	7.6	0	0	113.8	L139	L139-Q141 PolarHBondContact O-N 3.37Å; L139-Q141 VanDerWaalsContact O-N 3.12Å
142	N	53.9	Low	71	Confident	115 Å²	115	84.8 Å²	84.8	62%	0.615	44%	0.44	S	S	*	.	S	Bend	trans	-136.6	119	-177.8	-61.3	-69.9	0	0	0	112.2	N140 N146	N140-N142 PolarHBondContact O-N 2.72Å; N142-N146 PolarHBondContact O-ND2 3.48Å; N142-N146 VanDerWaalsContact O-ND2 3.1Å
143	T	54.7	Low	71.3	Confident	93 Å²	93	85 Å²	85	57%	0.571	44%	0.441	S	S	*	.			trans	86.2	113.7	160.6	-6.1	0	0	0	0	117.8	D145 N146	T143-D145 PolarHBondContact O-N 3.49Å; T143-N146 VanDerWaalsContact CB-ND2 3.26Å; T143-N146 WeakPolarHBondContact CB-ND2 3.33Å; T143-N146 WeakPolarHBondContact O-CB 3.3Å; T143-N146 PolarHBondContact O-N 2.83Å; T143-N146 PolarHBondContact OG1-ND2 3.35Å; T143-N146 VanDerWaalsContact OG1-ND2 3.08Å
144	D	56.3	Low	71.6	Confident	170 Å²	170	86.4 Å²	86.4	91%	0.909	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.2	172.5	-77.6	-39.5	0	0	0	113.8	N146	D144-N146 VanDerWaalsContact C-N 3.31Å; D144-N146 PolarHBondContact O-N 3.28Å
145	D	57.3	Low	71.8	Confident	151 Å²	151	88 Å²	88	81%	0.807	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	5.5	-178.7	-62.6	-33.7	0	0	0	114.1	T143	T143-D145 PolarHBondContact O-N 3.49Å
146	N	72.5	Confident	71.8	Confident	49 Å²	49	84.4 Å²	84.4	26%	0.262	43%	0.434	S	S	.	.			trans	-99.9	12.3	-168.3	-78.7	-25.3	0	0	0	115.9	N142 T143 D144 T148 W149 L150	N142-N146 PolarHBondContact O-ND2 3.48Å; N142-N146 VanDerWaalsContact O-ND2 3.1Å; T143-N146 VanDerWaalsContact CB-ND2 3.26Å; T143-N146 WeakPolarHBondContact CB-ND2 3.33Å; T143-N146 WeakPolarHBondContact O-CB 3.3Å; T143-N146 PolarHBondContact O-N 2.83Å; T143-N146 PolarHBondContact OG1-ND2 3.35Å; T143-N146 VanDerWaalsContact OG1-ND2 3.08Å; D144-N146 VanDerWaalsContact C-N 3.31Å; D144-N146 PolarHBondContact O-N 3.28Å; N146-T148 VanDerWaalsContact C-N 3.34Å; N146-T148 PolarHBondContact O-N 3.29Å; N146-W149 PolarHBondContact O-N 3.41Å; N146-L150 HydrophobicContact CB-CD1 4.41Å; N146-L150 HydrophobicContact CB-CG 4.35Å; N146-L150 WeakPolarHBondContact O-CG 2.9Å; N146-L150 PolarHBondContact O-N 2.96Å
147	E	79.3	Confident	72.1	Confident	123 Å²	123	83.6 Å²	83.6	58%	0.575	43%	0.43	S	S	*	.	H	α-helix	trans	-56.5	-44.2	-172.6	-165.1	-167.5	160.3	0	0	113.2	W149 L150 K151	E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.95Å; E147-L150 PolarHBondContact O-N 2.93Å; E147-K151 HydrophobicContact CG-CD 4.38Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 WeakPolarHBondContact O-CG 3.38Å; E147-K151 PolarHBondContact O-N 2.91Å; E147-K151 VanDerWaalsContact OE1-CE 3.27Å; E147-K151 WeakPolarHBondContact OE1-CE 3.33Å; E147-K151 IonicContact OE1-NZ 3.26Å; E147-K151 PolarHBondContact OE1-NZ 2.91Å
148	T	82	Confident	72.3	Confident	102 Å²	102	82.4 Å²	82.4	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-66.9	-36.7	178.5	-62.2	0	0	0	0	111.8	N146 N152	N146-T148 VanDerWaalsContact C-N 3.34Å; N146-T148 PolarHBondContact O-N 3.29Å; T148-N152 VanDerWaalsContact O-CG 3.24Å; T148-N152 PolarHBondContact O-N 3.41Å; T148-N152 PolarHBondContact O-ND2 3.18Å; T148-N152 VanDerWaalsContact O-ND2 3.15Å
149	W	83	Confident	72.6	Confident	88 Å²	88	77.7 Å²	77.7	33%	0.333	39%	0.394	S	S	.	.	H	α-helix	trans	-70.6	-43	178.8	-178.1	91.5	0	0	0	111.5	L139 N146 E147 N152 M153	L139-W149 HydrophobicContact CB-CH2 4.4Å; L139-W149 HydrophobicContact CB-CZ3 4.11Å; L139-W149 HydrophobicContact CD1-CH2 3.76Å; L139-W149 HydrophobicContact CD1-CZ3 3.9Å; L139-W149 HydrophobicContact CD2-CH2 4.06Å; L139-W149 HydrophobicContact CG-CH2 4.3Å; L139-W149 HydrophobicContact CG-CZ3 4.44Å; N146-W149 PolarHBondContact O-N 3.41Å; E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.95Å; W149-N152 PolarHBondContact O-N 2.9Å; W149-M153 HydrophobicContact CD2-CG 4.13Å; W149-M153 HydrophobicContact CE3-CG 4.08Å; W149-M153 HydrophobicContact CH2-CE 3.65Å; W149-M153 HydrophobicContact CH2-CG 3.93Å; W149-M153 HydrophobicContact CZ2-CE 3.12Å; W149-M153 HydrophobicContact CZ2-CG 3.99Å; W149-M153 HydrophobicContact CZ2-SD 4.38Å; W149-M153 HydrophobicContact CZ3-CG 3.98Å; W149-M153 PolarHBondContact O-N 2.87Å
150	L	81.9	Confident	72.8	Confident	36 Å²	36	75.4 Å²	75.4	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-45.1	175.1	-72.6	172	0	0	0	111.8	I136 L139 N140 N146 E147 N152 M153 E154	I136-L150 HydrophobicContact CG2-CD2 4.21Å; L139-L150 HydrophobicContact CB-CD2 4.25Å; N140-L150 VanDerWaalsContact OD1-CD1 3.23Å; N140-L150 WeakPolarHBondContact OD1-CD1 2.85Å; N140-L150 WeakPolarHBondContact OD1-CD2 3.49Å; N146-L150 HydrophobicContact CB-CD1 4.41Å; N146-L150 HydrophobicContact CB-CG 4.35Å; N146-L150 WeakPolarHBondContact O-CG 2.9Å; N146-L150 PolarHBondContact O-N 2.96Å; E147-L150 PolarHBondContact O-N 2.93Å; L150-N152 VanDerWaalsContact C-N 3.3Å; L150-N152 PolarHBondContact O-N 3.13Å; L150-M153 WeakPolarHBondContact O-CB 3.36Å; L150-M153 PolarHBondContact O-N 2.84Å; L150-E154 PolarHBondContact O-N 3.34Å
151	K	83.2	Confident	73.4	Confident	107 Å²	107	73.2 Å²	73.2	47%	0.465	37%	0.372	S	S	.	.	H	α-helix	trans	-57	-43.5	172.6	-77.9	172	171.2	169.9	0	111.7	E147 E154 I155	E147-K151 HydrophobicContact CG-CD 4.38Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 WeakPolarHBondContact O-CG 3.38Å; E147-K151 PolarHBondContact O-N 2.91Å; E147-K151 VanDerWaalsContact OE1-CE 3.27Å; E147-K151 WeakPolarHBondContact OE1-CE 3.33Å; E147-K151 IonicContact OE1-NZ 3.26Å; E147-K151 PolarHBondContact OE1-NZ 2.91Å; K151-E154 PolarHBondContact O-N 2.94Å; K151-I155 VanDerWaalsContact O-CG1 3.23Å; K151-I155 WeakPolarHBondContact O-CG1 3.2Å; K151-I155 PolarHBondContact O-N 3.32Å
152	N	81.3	Confident	74.3	Confident	37 Å²	37	67.5 Å²	67.5	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-68.9	-35.6	177.9	-68.8	-33.7	0	0	0	112.7	L43 V47 T148 W149 L150 I155 C156	L43-N152 HydrophobicContact CD2-CB 4.4Å; V47-N152 HydrophobicContact CG2-CB 3.36Å; T148-N152 VanDerWaalsContact O-CG 3.24Å; T148-N152 PolarHBondContact O-N 3.41Å; T148-N152 PolarHBondContact O-ND2 3.18Å; T148-N152 VanDerWaalsContact O-ND2 3.15Å; W149-N152 PolarHBondContact O-N 2.9Å; L150-N152 VanDerWaalsContact C-N 3.3Å; L150-N152 PolarHBondContact O-N 3.13Å; N152-I155 PolarHBondContact O-N 2.95Å; N152-C156 WeakPolarHBondContact O-CB 3.08Å; N152-C156 PolarHBondContact O-N 3.47Å; N152-C156 PolarHBondContact O-SG 3.45Å
153	M	80.8	Confident	75.2	Confident	9 Å²	9	62.9 Å²	62.9	4%	0.044	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-43.4	171.8	-78.8	-64.7	-168.5	0	0	111.5	V47 H49 L139 W149 L150 I155 C156 N157	V47-M153 HydrophobicContact CG1-CE 3.51Å; V47-M153 HydrophobicContact CG1-CG 4.03Å; V47-M153 HydrophobicContact CG1-SD 3.37Å; V47-M153 WeakPolarHBondContact CG1-SD 3.45Å; H49-M153 HydrophobicContact CB-SD 4.2Å; H49-M153 PolarHBondContact CD2-SD 2.85Å; L139-M153 HydrophobicContact CD1-CB 4.5Å; L139-M153 HydrophobicContact CD1-CG 4.19Å; W149-M153 HydrophobicContact CD2-CG 4.13Å; W149-M153 HydrophobicContact CE3-CG 4.08Å; W149-M153 HydrophobicContact CH2-CE 3.65Å; W149-M153 HydrophobicContact CH2-CG 3.93Å; W149-M153 HydrophobicContact CZ2-CE 3.12Å; W149-M153 HydrophobicContact CZ2-CG 3.99Å; W149-M153 HydrophobicContact CZ2-SD 4.38Å; W149-M153 HydrophobicContact CZ3-CG 3.98Å; W149-M153 PolarHBondContact O-N 2.87Å; L150-M153 WeakPolarHBondContact O-CB 3.36Å; L150-M153 PolarHBondContact O-N 2.84Å; M153-I155 PolarHBondContact O-N 3.32Å; M153-C156 WeakPolarHBondContact O-CB 3.47Å; M153-C156 PolarHBondContact O-N 3.25Å; M153-C156 VanDerWaalsContact O-N 3.12Å; M153-N157 PolarHBondContact O-N 3.03Å
154	E	79.9	Confident	75.9	Confident	82 Å²	82	58.5 Å²	58.5	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-43.5	175.2	-165.9	-166.3	149.6	0	0	112	I136 L150 K151 C156 N157 K158	I136-E154 HydrophobicContact CD1-CB 3.69Å; I136-E154 HydrophobicContact CD1-CG 3.71Å; L150-E154 PolarHBondContact O-N 3.34Å; K151-E154 PolarHBondContact O-N 2.94Å; E154-C156 VanDerWaalsContact C-N 3.29Å; E154-C156 PolarHBondContact O-N 3.47Å; E154-N157 WeakPolarHBondContact O-CB 3.23Å; E154-N157 PolarHBondContact O-N 3.36Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å; E154-K158 PolarHBondContact O-N 2.86Å; E154-K158 WeakPolarHBondContact OE1-CE 3.44Å; E154-K158 IonicContact OE1-NZ 2.61Å; E154-K158 PolarHBondContact OE1-NZ 3.28Å
155	I	78.8	Confident	76.4	Confident	68 Å²	68	52.8 Å²	52.8	35%	0.349	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-38	174.8	-64.5	163.9	0	0	0	110.6	L43 K151 N152 M153 K158 L159	L43-I155 HydrophobicContact CD1-CG2 3.57Å; L43-I155 HydrophobicContact CD2-CG2 4.25Å; K151-I155 VanDerWaalsContact O-CG1 3.23Å; K151-I155 WeakPolarHBondContact O-CG1 3.2Å; K151-I155 PolarHBondContact O-N 3.32Å; N152-I155 PolarHBondContact O-N 2.95Å; M153-I155 PolarHBondContact O-N 3.32Å; I155-K158 PolarHBondContact O-N 3.02Å; I155-L159 WeakPolarHBondContact O-CB 3.47Å; I155-L159 PolarHBondContact O-N 3.32Å
156	C	78	Confident	77	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-38.4	176.3	-69	0	0	0	0	112.4	H49 N152 M153 E154 L159 A160	H49-C156 HydrophobicContact CB-CB 3.8Å; H49-C156 WeakPolarHBondContact CD2-CB 3.07Å; H49-C156 VanDerWaalsContact CG-CB 3.43Å; N152-C156 WeakPolarHBondContact O-CB 3.08Å; N152-C156 PolarHBondContact O-N 3.47Å; N152-C156 PolarHBondContact O-SG 3.45Å; M153-C156 WeakPolarHBondContact O-CB 3.47Å; M153-C156 PolarHBondContact O-N 3.25Å; M153-C156 VanDerWaalsContact O-N 3.12Å; E154-C156 VanDerWaalsContact C-N 3.29Å; E154-C156 PolarHBondContact O-N 3.47Å; C156-L159 WeakPolarHBondContact O-CB 3.17Å; C156-L159 PolarHBondContact O-N 3.32Å; C156-A160 WeakPolarHBondContact O-CB 3.39Å; C156-A160 PolarHBondContact O-N 2.71Å
157	N	79.7	Confident	77	Confident	20 Å²	20	45.7 Å²	45.7	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-48.7	170.9	-86.1	-19.6	0	0	0	111.2	H49 L133 V134 M153 E154 L159 A160 T161	H49-N157 PolarHBondContact NE2-OD1 3.32Å; L133-N157 WeakPolarHBondContact CA-OD1 3.39Å; L133-N157 HydrophobicContact CD2-CB 3.87Å; L133-N157 VanDerWaalsContact CD2-O 3.27Å; L133-N157 WeakPolarHBondContact CD2-O 3.37Å; L133-N157 WeakPolarHBondContact CD2-OD1 3.11Å; V134-N157 PolarHBondContact N-OD1 2.75Å; V134-N157 PolarHBondContact O-ND2 2.95Å; M153-N157 PolarHBondContact O-N 3.03Å; E154-N157 WeakPolarHBondContact O-CB 3.23Å; E154-N157 PolarHBondContact O-N 3.36Å; N157-L159 VanDerWaalsContact C-N 3.26Å; N157-L159 PolarHBondContact O-N 2.99Å; N157-A160 WeakPolarHBondContact O-CB 3.35Å; N157-A160 PolarHBondContact O-N 3.49Å; N157-A160 VanDerWaalsContact O-N 3.11Å; N157-T161 PolarHBondContact O-N 3.02Å; N157-T161 PolarHBondContact O-OG1 3.02Å; N157-T161 VanDerWaalsContact O-OG1 3.13Å
158	K	77.3	Confident	76.5	Confident	88 Å²	88	42 Å²	42	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-42.1	176.2	-70.3	173.4	-176	170	0	111.7	E154 I155 L162 L233	E154-K158 WeakPolarHBondContact O-CG 3.2Å; E154-K158 PolarHBondContact O-N 2.86Å; E154-K158 WeakPolarHBondContact OE1-CE 3.44Å; E154-K158 IonicContact OE1-NZ 2.61Å; E154-K158 PolarHBondContact OE1-NZ 3.28Å; I155-K158 PolarHBondContact O-N 3.02Å; K158-L162 WeakPolarHBondContact O-CB 3.4Å; K158-L162 PolarHBondContact O-N 2.84Å; K158-L233 HydrophobicContact CD-CD2 4.17Å; K158-L233 HydrophobicContact CG-CD2 3.99Å
159	L	78.4	Confident	75.8	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-42.2	176.5	177.2	63.7	0	0	0	112.1	L36 A40 L43 F51 F52 I155 C156 N157 S163	L36-L159 HydrophobicContact CD1-CD1 3.24Å; L36-L159 HydrophobicContact CD2-CD1 4.31Å; L36-L159 HydrophobicContact CG-CD1 3.67Å; A40-L159 HydrophobicContact CB-CD1 4.41Å; A40-L159 HydrophobicContact CB-CD2 3.6Å; L43-L159 HydrophobicContact CD1-CD2 4.11Å; F51-L159 HydrophobicContact CD1-CD2 4.07Å; F51-L159 HydrophobicContact CD1-CG 4.39Å; F51-L159 HydrophobicContact CE1-CD2 3.45Å; F51-L159 VanDerWaalsContact CE1-CD2 3.45Å; F51-L159 HydrophobicContact CE1-CG 3.68Å; F51-L159 HydrophobicContact CZ-CD2 4.08Å; F51-L159 HydrophobicContact CZ-CG 3.79Å; F52-L159 HydrophobicContact CE1-CD2 4.34Å; F52-L159 HydrophobicContact CZ-CD2 4.38Å; I155-L159 WeakPolarHBondContact O-CB 3.47Å; I155-L159 PolarHBondContact O-N 3.32Å; C156-L159 WeakPolarHBondContact O-CB 3.17Å; C156-L159 PolarHBondContact O-N 3.32Å; N157-L159 VanDerWaalsContact C-N 3.26Å; N157-L159 PolarHBondContact O-N 2.99Å; L159-S163 VanDerWaalsContact O-CB 3.23Å; L159-S163 WeakPolarHBondContact O-CB 3.42Å; L159-S163 PolarHBondContact O-N 2.84Å; L159-S163 PolarHBondContact O-OG 3.03Å
160	A	73.2	Confident	75.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-50.8	177	0	0	0	0	0	111.4	F51 I129 L133 C156 N157 L162 S163 G164	F51-A160 HydrophobicContact CB-CB 4.08Å; F51-A160 VanDerWaalsContact CD2-CA 3.5Å; F51-A160 HydrophobicContact CD2-CB 3.42Å; F51-A160 VanDerWaalsContact CD2-CB 3.42Å; F51-A160 HydrophobicContact CE2-CB 4.08Å; F51-A160 HydrophobicContact CG-CB 3.94Å; I129-A160 HydrophobicContact CG2-CB 4.23Å; I129-A160 WeakPolarHBondContact CG2-O 3.43Å; L133-A160 HydrophobicContact CD2-CB 3.79Å; C156-A160 WeakPolarHBondContact O-CB 3.39Å; C156-A160 PolarHBondContact O-N 2.71Å; N157-A160 WeakPolarHBondContact O-CB 3.35Å; N157-A160 PolarHBondContact O-N 3.49Å; N157-A160 VanDerWaalsContact O-N 3.11Å; A160-L162 PolarHBondContact O-N 2.97Å; A160-S163 PolarHBondContact O-N 2.84Å; A160-G164 PolarHBondContact O-N 3.44Å
161	T	73.3	Confident	74.4	Confident	38 Å²	38	35.3 Å²	35.3	23%	0.233	19%	0.189	C	C	.	.	H	α-helix	trans	-52.9	-54.7	174.6	-56.8	0	0	0	0	110.8	H130 L133 N157 S163 G164 D165 L242	H130-T161 PolarHBondContact NE2-O 3.31Å; H130-T161 VanDerWaalsContact NE2-O 3.11Å; L133-T161 WeakPolarHBondContact CD2-OG1 3.11Å; N157-T161 PolarHBondContact O-N 3.02Å; N157-T161 PolarHBondContact O-OG1 3.02Å; N157-T161 VanDerWaalsContact O-OG1 3.13Å; T161-S163 VanDerWaalsContact C-N 3.34Å; T161-S163 PolarHBondContact O-N 2.96Å; T161-G164 PolarHBondContact O-N 2.94Å; T161-D165 PolarHBondContact O-N 2.71Å; T161-L242 HydrophobicContact CG2-CD2 4.06Å
162	L	74.8	Confident	73.4	Confident	35 Å²	35	33.7 Å²	33.7	18%	0.183	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-42.3	-178.9	177.4	60.2	0	0	0	112.7	L36 K158 A160 G164 D165 V166 L229	L36-L162 HydrophobicContact CD1-CD2 3.86Å; L36-L162 HydrophobicContact CD2-CD2 4.38Å; K158-L162 WeakPolarHBondContact O-CB 3.4Å; K158-L162 PolarHBondContact O-N 2.84Å; A160-L162 PolarHBondContact O-N 2.97Å; L162-G164 VanDerWaalsContact C-N 3.34Å; L162-D165 PolarHBondContact O-N 3.19Å; L162-V166 HydrophobicContact CD1-CG2 4.01Å; L162-V166 HydrophobicContact CG-CG2 4.39Å; L162-V166 WeakPolarHBondContact O-CB 3.5Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.35Å; L162-V166 PolarHBondContact O-N 3.1Å; L162-L229 HydrophobicContact CD1-CD1 3.31Å; L162-L229 HydrophobicContact CD1-CG 4.33Å; L162-L229 HydrophobicContact CD2-CD1 3.72Å; L162-L229 HydrophobicContact CD2-CD2 4.1Å; L162-L229 HydrophobicContact CD2-CG 4.31Å; L162-L229 HydrophobicContact CG-CD1 4.14Å
163	S	73.5	Confident	72.5	Confident	19 Å²	19	35.5 Å²	35.5	13%	0.133	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179.7	-59.8	0	0	0	0	111.2	L159 A160 T161 L167	L159-S163 VanDerWaalsContact O-CB 3.23Å; L159-S163 WeakPolarHBondContact O-CB 3.42Å; L159-S163 PolarHBondContact O-N 2.84Å; L159-S163 PolarHBondContact O-OG 3.03Å; A160-S163 PolarHBondContact O-N 2.84Å; T161-S163 VanDerWaalsContact C-N 3.34Å; T161-S163 PolarHBondContact O-N 2.96Å; S163-L167 VanDerWaalsContact O-CG 3.26Å; S163-L167 WeakPolarHBondContact O-CG 3.24Å; S163-L167 PolarHBondContact O-N 2.67Å; S163-L167 VanDerWaalsContact O-N 3.15Å
164	G	69.5	Low	71.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-42.4	174	0	0	0	0	0	112.2	H130 A160 T161 L162 L167 L168	H130-G164 WeakPolarHBondContact NE2-CA 3.44Å; A160-G164 PolarHBondContact O-N 3.44Å; T161-G164 PolarHBondContact O-N 2.94Å; L162-G164 VanDerWaalsContact C-N 3.34Å; G164-L167 WeakPolarHBondContact O-CB 3.49Å; G164-L167 PolarHBondContact O-N 3.37Å; G164-L168 WeakPolarHBondContact O-CG 3.14Å; G164-L168 PolarHBondContact O-N 3.42Å
165	D	67.5	Low	70.6	Confident	50 Å²	50	35.9 Å²	35.9	27%	0.267	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-42.6	-180	-63.3	-10.6	0	0	0	112	H130 T161 L162 L167 L168 A169	H130-D165 IonicContact CE1-OD1 3.03Å; H130-D165 PolarHBondContact CE1-OD1 3.21Å; H130-D165 PolarHBondContact NE2-N 3.03Å; H130-D165 IonicContact NE2-OD1 3.99Å; H130-D165 PolarHBondContact NE2-OD1 3.12Å; T161-D165 PolarHBondContact O-N 2.71Å; L162-D165 PolarHBondContact O-N 3.19Å; D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 3.09Å; D165-L168 PolarHBondContact O-N 2.8Å; D165-A169 WeakPolarHBondContact O-CB 3.45Å; D165-A169 PolarHBondContact O-N 2.97Å
166	V	69.5	Low	69.5	Low	40 Å²	40	34.5 Å²	34.5	24%	0.242	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-40.8	174.9	168.7	0	0	0	0	110.8	I28 L162 A169 S170	I28-V166 HydrophobicContact CG2-CG1 3.63Å; L162-V166 HydrophobicContact CD1-CG2 4.01Å; L162-V166 HydrophobicContact CG-CG2 4.39Å; L162-V166 WeakPolarHBondContact O-CB 3.5Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.35Å; L162-V166 PolarHBondContact O-N 3.1Å; V166-A169 PolarHBondContact O-N 2.7Å; V166-S170 PolarHBondContact O-N 2.87Å
167	L	71.6	Confident	68.6	Low	12 Å²	12	40.2 Å²	40.2	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-45.2	174.8	-70.6	167.1	0	0	0	111.2	I23 I28 T122 T125 A126 I129 S163 G164 D165 A169 S170 V171	I23-L167 HydrophobicContact CD1-CD2 4.5Å; I23-L167 HydrophobicContact CG2-CD2 3.9Å; I28-L167 HydrophobicContact CD1-CD2 3.62Å; T122-L167 HydrophobicContact CG2-CB 4.07Å; T122-L167 HydrophobicContact CG2-CD2 3.89Å; T125-L167 HydrophobicContact CG2-CD1 4.03Å; A126-L167 HydrophobicContact CB-CB 3.77Å; A126-L167 HydrophobicContact CB-CD1 4.22Å; I129-L167 HydrophobicContact CD1-CD1 3.57Å; S163-L167 VanDerWaalsContact O-CG 3.26Å; S163-L167 WeakPolarHBondContact O-CG 3.24Å; S163-L167 PolarHBondContact O-N 2.67Å; S163-L167 VanDerWaalsContact O-N 3.15Å; G164-L167 WeakPolarHBondContact O-CB 3.49Å; G164-L167 PolarHBondContact O-N 3.37Å; D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 3.09Å; L167-A169 PolarHBondContact O-N 3.31Å; L167-S170 WeakPolarHBondContact O-CB 3.28Å; L167-S170 PolarHBondContact O-N 3.32Å; L167-S170 PolarHBondContact O-OG 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.47Å
168	L	68.6	Low	67.5	Low	46 Å²	46	40.7 Å²	40.7	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-35.8	177.3	-67.6	177.2	0	0	0	113	A126 G164 D165 S170 V171 S172	A126-L168 HydrophobicContact CB-CD2 3.8Å; A126-L168 HydrophobicContact CB-CG 3.82Å; G164-L168 WeakPolarHBondContact O-CG 3.14Å; G164-L168 PolarHBondContact O-N 3.42Å; D165-L168 PolarHBondContact O-N 2.8Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-V171 WeakPolarHBondContact O-CB 3.39Å; L168-V171 PolarHBondContact O-N 2.72Å; L168-S172 PolarHBondContact O-N 3.49Å; L168-S172 PolarHBondContact O-OG 2.72Å; L168-S172 VanDerWaalsContact O-OG 3.06Å
169	A	67.4	Low	66	Low	55 Å²	55	38.5 Å²	38.5	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-40.3	172.5	0	0	0	0	0	111.3	D165 V166 L167 V171 S172 T173	D165-A169 WeakPolarHBondContact O-CB 3.45Å; D165-A169 PolarHBondContact O-N 2.97Å; V166-A169 PolarHBondContact O-N 2.7Å; L167-A169 PolarHBondContact O-N 3.31Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.49Å; A169-S172 WeakPolarHBondContact O-CB 3.44Å; A169-S172 PolarHBondContact O-N 3.03Å; A169-T173 PolarHBondContact O-N 3.49Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 3.2Å
170	S	70.1	Confident	64.4	Low	19 Å²	19	43.9 Å²	43.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-35.3	175	84.7	0	0	0	0	112.4	V166 L167 L168 T173 S174	V166-S170 PolarHBondContact O-N 2.87Å; L167-S170 WeakPolarHBondContact O-CB 3.28Å; L167-S170 PolarHBondContact O-N 3.32Å; L167-S170 PolarHBondContact O-OG 3.26Å; L168-S170 VanDerWaalsContact C-N 3.32Å; S170-T173 PolarHBondContact O-N 3.45Å; S170-S174 WeakPolarHBondContact O-CB 3.05Å; S170-S174 PolarHBondContact O-N 2.89Å; S170-S174 PolarHBondContact O-OG 3.15Å
171	V	65.2	Low	63.1	Low	11 Å²	11	46.3 Å²	46.3	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-46.7	173.1	162.7	0	0	0	0	110.5	I119 T122 V123 L167 L168 A169 T173 S174 L175	I119-V171 HydrophobicContact CG2-CG1 3.79Å; I119-V171 HydrophobicContact CG2-CG2 4.44Å; T122-V171 HydrophobicContact CG2-CG2 3.53Å; V123-V171 HydrophobicContact CG2-CB 4.32Å; V123-V171 HydrophobicContact CG2-CG1 3.79Å; V123-V171 HydrophobicContact CG2-CG2 3.74Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.47Å; L168-V171 WeakPolarHBondContact O-CB 3.39Å; L168-V171 PolarHBondContact O-N 2.72Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.49Å; V171-T173 VanDerWaalsContact C-N 3.27Å; V171-T173 PolarHBondContact O-N 3.18Å; V171-S174 PolarHBondContact O-N 2.9Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.08Å
172	S	62.2	Low	61.4	Low	73 Å²	73	47 Å²	47	51%	0.51	27%	0.274	S	S	.	.	H	α-helix	trans	-57.7	-42.4	177.9	-59.8	0	0	0	0	111.6	L168 A169 A176	L168-S172 PolarHBondContact O-N 3.49Å; L168-S172 PolarHBondContact O-OG 2.72Å; L168-S172 VanDerWaalsContact O-OG 3.06Å; A169-S172 WeakPolarHBondContact O-CB 3.44Å; A169-S172 PolarHBondContact O-N 3.03Å; S172-A176 PolarHBondContact O-N 3.13Å
173	T	63.8	Low	59.6	Low	75 Å²	75	48.3 Å²	48.3	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-40.7	175.4	-58.6	0	0	0	0	112.1	A169 S170 V171 A176 K177	A169-T173 PolarHBondContact O-N 3.49Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 3.2Å; S170-T173 PolarHBondContact O-N 3.45Å; V171-T173 VanDerWaalsContact C-N 3.27Å; V171-T173 PolarHBondContact O-N 3.18Å; T173-A176 PolarHBondContact O-N 2.9Å; T173-K177 WeakPolarHBondContact O-CG 3.4Å; T173-K177 PolarHBondContact O-N 3.26Å; T173-K177 VanDerWaalsContact O-N 3.12Å
174	S	62.9	Low	58.3	Low	29 Å²	29	52.6 Å²	52.6	20%	0.203	31%	0.312	C	S	.	.	H	α-helix	trans	-69.8	-39.9	-179.2	-58.2	0	0	0	0	112.1	S170 V171 K177 L178	S170-S174 WeakPolarHBondContact O-CB 3.05Å; S170-S174 PolarHBondContact O-N 2.89Å; S170-S174 PolarHBondContact O-OG 3.15Å; V171-S174 PolarHBondContact O-N 2.9Å; S174-K177 PolarHBondContact O-N 3.3Å; S174-L178 PolarHBondContact O-N 3.47Å
175	L	57.4	Low	56.9	Low	70 Å²	70	56.2 Å²	56.2	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-42.4	172.6	-74	170.7	0	0	0	111.9	I119 V171 K177 L178 H179 M198	I119-L175 HydrophobicContact CD1-CD2 3.85Å; I119-L175 HydrophobicContact CD1-CG 4.08Å; I119-L175 HydrophobicContact CG2-CD2 4.26Å; I119-L175 HydrophobicContact CG2-CG 4.35Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.08Å; L175-K177 VanDerWaalsContact C-N 3.35Å; L175-K177 PolarHBondContact O-N 3.49Å; L175-L178 PolarHBondContact O-N 2.88Å; L175-H179 PolarHBondContact O-N 3.2Å; L175-M198 HydrophobicContact CB-CE 4.38Å
176	A	55.6	Low	55.2	Low	38 Å²	38	63 Å²	63	31%	0.314	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-44	175.5	0	0	0	0	0	111.7	S172 T173 L178 H179 H180	S172-A176 PolarHBondContact O-N 3.13Å; T173-A176 PolarHBondContact O-N 2.9Å; A176-L178 PolarHBondContact O-N 3.49Å; A176-H179 WeakPolarHBondContact O-CB 3.12Å; A176-H179 PolarHBondContact O-N 2.96Å; A176-H180 PolarHBondContact O-CD2 2.89Å; A176-H180 PolarHBondContact O-N 2.97Å
177	K	60.2	Low	53.5	Low	121 Å²	121	66 Å²	66	53%	0.526	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-42.2	175.5	-71.4	174.3	-179.2	177.5	0	112.2	T173 S174 L175 H180 A181	T173-K177 WeakPolarHBondContact O-CG 3.4Å; T173-K177 PolarHBondContact O-N 3.26Å; T173-K177 VanDerWaalsContact O-N 3.12Å; S174-K177 PolarHBondContact O-N 3.3Å; L175-K177 VanDerWaalsContact C-N 3.35Å; L175-K177 PolarHBondContact O-N 3.49Å; K177-H180 PolarHBondContact O-N 3.48Å; K177-A181 PolarHBondContact O-N 2.98Å
178	L	55.4	Low	51.6	Low	30 Å²	30	70.8 Å²	70.8	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-63	-41.8	175.6	-76.4	179.7	0	0	0	112.6	I116 I119 S174 L175 A176 H180 A181 N182	I116-L178 HydrophobicContact CG1-CD1 4.04Å; I119-L178 HydrophobicContact CD1-CD1 3.36Å; I119-L178 HydrophobicContact CD1-CG 4.36Å; S174-L178 PolarHBondContact O-N 3.47Å; L175-L178 PolarHBondContact O-N 2.88Å; A176-L178 PolarHBondContact O-N 3.49Å; L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 3.28Å; L178-A181 PolarHBondContact O-N 3.49Å; L178-N182 PolarHBondContact O-N 3.32Å; L178-N182 VanDerWaalsContact O-N 3.08Å
179	H	46.4	Very low	50.2	Low	41 Å²	41	75.1 Å²	75.1	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-59.8	-44.8	174.8	171.5	-94.1	0	0	0	111.5	L175 A176 A181 N182 S183 K195	L175-H179 PolarHBondContact O-N 3.2Å; A176-H179 WeakPolarHBondContact O-CB 3.12Å; A176-H179 PolarHBondContact O-N 2.96Å; H179-A181 PolarHBondContact O-N 3.48Å; H179-N182 PolarHBondContact O-N 3.1Å; H179-S183 WeakPolarHBondContact O-CB 3.09Å; H179-S183 PolarHBondContact O-N 3.07Å; H179-S183 PolarHBondContact O-OG 3.26Å; H179-K195 WeakPolarHBondContact NE2-CE 3.46Å
180	H	44.2	Very low	48.7	Very low	120 Å²	120	76 Å²	76	56%	0.556	44%	0.441	S	S	*	.	H	α-helix	trans	-64.1	-40.2	177.4	-71.6	-60.7	0	0	0	112.8	A176 K177 L178 N182 S183	A176-H180 PolarHBondContact O-CD2 2.89Å; A176-H180 PolarHBondContact O-N 2.97Å; K177-H180 PolarHBondContact O-N 3.48Å; L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 3.28Å; H180-N182 VanDerWaalsContact C-N 3.3Å; H180-N182 PolarHBondContact O-N 3.38Å; H180-S183 WeakPolarHBondContact CA-OG 3.34Å; H180-S183 PolarHBondContact O-N 3.29Å; H180-S183 PolarHBondContact O-OG 3.06Å
181	A	47.1	Very low	46.8	Very low	50 Å²	50	76.5 Å²	76.5	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-28.7	177	0	0	0	0	0	113.9	K177 L178 H179 T184 N185	K177-A181 PolarHBondContact O-N 2.98Å; L178-A181 PolarHBondContact O-N 3.49Å; H179-A181 PolarHBondContact O-N 3.48Å; A181-T184 PolarHBondContact O-OG1 2.63Å; A181-N185 PolarHBondContact O-ND2 3.19Å
182	N	37.2	Very low	45.2	Very low	52 Å²	52	79.5 Å²	79.5	28%	0.278	46%	0.463	S	S	.	.	H	α-helix	trans	-83.3	-32.5	176.4	-69.5	-8.7	0	0	0	112.1	Q112 L178 H179 H180 T184 N185	Q112-N182 PolarHBondContact NE2-OD1 3.17Å; L178-N182 PolarHBondContact O-N 3.32Å; L178-N182 VanDerWaalsContact O-N 3.08Å; H179-N182 PolarHBondContact O-N 3.1Å; H180-N182 VanDerWaalsContact C-N 3.3Å; H180-N182 PolarHBondContact O-N 3.38Å; N182-T184 PolarHBondContact O-N 3.05Å; N182-N185 CarbonylContact O-C 3.54Å; N182-N185 PolarHBondContact O-N 3.12Å; N182-N185 VanDerWaalsContact O-N 3.12Å
183	S	35.8	Very low	43.9	Very low	64 Å²	64	80 Å²	80	45%	0.448	47%	0.466	S	S	.	.	H	α-helix	trans	-68.7	-17.5	-179.6	62.4	0	0	0	0	115	H179 H180	H179-S183 WeakPolarHBondContact O-CB 3.09Å; H179-S183 PolarHBondContact O-N 3.07Å; H179-S183 PolarHBondContact O-OG 3.26Å; H180-S183 WeakPolarHBondContact CA-OG 3.34Å; H180-S183 PolarHBondContact O-N 3.29Å; H180-S183 PolarHBondContact O-OG 3.06Å
184	T	46.5	Very low	42.4	Very low	109 Å²	109	80.8 Å²	80.8	67%	0.669	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.4	173.2	53.8	0	0	0	0	113.5	A181 N182	A181-T184 PolarHBondContact O-OG1 2.63Å; N182-T184 PolarHBondContact O-N 3.05Å
185	N	40.7	Very low	41.1	Very low	75 Å²	75	84.9 Å²	84.9	40%	0.401	48%	0.481	S	S	.	.	S	Bend	trans	-127.3	105.1	-178.6	-64.5	-65	0	0	0	109.8	K108 A181 N182 T187	K108-N185 VanDerWaalsContact NZ-CG 3.34Å; K108-N185 PolarHBondContact NZ-ND2 2.98Å; K108-N185 PolarHBondContact NZ-OD1 3.43Å; A181-N185 PolarHBondContact O-ND2 3.19Å; N182-N185 CarbonylContact O-C 3.54Å; N182-N185 PolarHBondContact O-N 3.12Å; N182-N185 VanDerWaalsContact O-N 3.12Å; N185-T187 PolarHBondContact O-N 3.49Å
186	Q	30.6	Very low	40	Very low	194 Å²	194	89.1 Å²	89.1	91%	0.907	50%	0.496	S	S	*	.			trans	-28.3	105.7	175.8	-73.5	165.1	-11.5	0	0	114.9
187	T	34.1	Very low	39	Very low	102 Å²	102	92.1 Å²	92.1	63%	0.626	50%	0.503	S	S	*	.			trans	-157.3	100.2	146.3	37.7	0	0	0	0	107.2	N185	N185-T187 PolarHBondContact O-N 3.49Å
188	T	33.3	Very low	37.6	Very low	112 Å²	112	89.8 Å²	89.8	69%	0.687	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	-162.5	37.6	0	0	0	0	115.5
189	D	38.9	Very low	36.6	Very low	137 Å²	137	92.7 Å²	92.7	73%	0.733	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-28.5	-163.6	-61	-12.6	0	0	0	114.4
190	A	34.7	Very low	36	Very low	74 Å²	74	98.2 Å²	98.2	61%	0.612	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-25.8	174.2	0	0	0	0	0	113.3	C192	A190-C192 VanDerWaalsContact C-N 3.28Å; A190-C192 PolarHBondContact O-N 2.88Å
191	N	31.6	Very low	35.3	Very low	29 Å²	29	97.4 Å²	97.4	16%	0.155	53%	0.526	C	S	.	.	H	α-helix	trans	-71.3	-20.2	179.6	-98.7	-32.8	0	0	0	113.3	K195	N191-K195 WeakPolarHBondContact O-CB 3.48Å; N191-K195 WeakPolarHBondContact O-CG 3.36Å; N191-K195 PolarHBondContact O-N 3.22Å
192	C	31.7	Very low	34.7	Very low	75 Å²	75	100.7 Å²	100.7	51%	0.507	53%	0.531	S	S	.	.	H	α-helix	trans	-75.7	-34.4	-178.8	-159	0	0	0	0	112.3	A190 K196	A190-C192 VanDerWaalsContact C-N 3.28Å; A190-C192 PolarHBondContact O-N 2.88Å; C192-K196 PolarHBondContact O-N 2.69Å
193	S	34.1	Very low	34.4	Very low	82 Å²	82	103.1 Å²	103.1	57%	0.573	54%	0.544	S	S	*	.	H	α-helix	trans	-72.3	-40.8	179.2	-59.9	0	0	0	0	112.5	K195 K196 E197	S193-K195 PolarHBondContact O-N 3.1Å; S193-K196 PolarHBondContact O-N 3.46Å; S193-E197 WeakPolarHBondContact O-CG 3.28Å; S193-E197 PolarHBondContact O-N 3.24Å
194	I	32.5	Very low	34.3	Very low	93 Å²	93	105.3 Å²	105.3	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-69.7	-33.8	177.9	-60.4	173.9	0	0	0	111.3	M198	I194-M198 HydrophobicContact CG2-CG 4.18Å; I194-M198 HydrophobicContact CG2-SD 3.72Å; I194-M198 WeakPolarHBondContact O-CB 3.48Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.04Å
195	K	34.5	Very low	33.5	Very low	115 Å²	115	107.9 Å²	107.9	50%	0.5	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-40.7	176.2	-90.5	-177.4	175.4	-179.4	0	113.8	H179 N191 S193 Q199	H179-K195 WeakPolarHBondContact NE2-CE 3.46Å; N191-K195 WeakPolarHBondContact O-CB 3.48Å; N191-K195 WeakPolarHBondContact O-CG 3.36Å; N191-K195 PolarHBondContact O-N 3.22Å; S193-K195 PolarHBondContact O-N 3.1Å; K195-Q199 VanDerWaalsContact O-CB 3.28Å; K195-Q199 WeakPolarHBondContact O-CB 3.49Å; K195-Q199 PolarHBondContact O-N 3.04Å; K195-Q199 VanDerWaalsContact O-N 3.13Å
196	K	35.5	Very low	33	Very low	159 Å²	159	113.8 Å²	113.8	69%	0.691	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-41.9	178.7	-87.5	-178.3	174.4	178.5	0	111.7	C192 S193 Y200	C192-K196 PolarHBondContact O-N 2.69Å; S193-K196 PolarHBondContact O-N 3.46Å; K196-Y200 WeakPolarHBondContact O-CB 3.29Å; K196-Y200 PolarHBondContact O-N 3.08Å
197	E	33.3	Very low	32.9	Very low	100 Å²	100	107.4 Å²	107.4	47%	0.467	56%	0.562	S	S	.	*	H	α-helix	trans	-67.6	-44.8	179.9	-66.6	-72.2	128.5	0	0	112	S193 Q199 Y200 M201	S193-E197 WeakPolarHBondContact O-CG 3.28Å; S193-E197 PolarHBondContact O-N 3.24Å; E197-Q199 PolarHBondContact O-N 2.84Å; E197-Y200 PolarHBondContact O-N 2.84Å; E197-M201 PolarHBondContact O-N 3.14Å; E197-M201 VanDerWaalsContact O-N 3.07Å
198	M	32	Very low	32.6	Very low	72 Å²	72	111.1 Å²	111.1	36%	0.355	57%	0.572	S	S	.	*	H	α-helix	trans	-69.8	-31.9	178	-67.5	-178.2	94.4	0	0	113.1	L175 I194 M201 K202	L175-M198 HydrophobicContact CB-CE 4.38Å; I194-M198 HydrophobicContact CG2-CG 4.18Å; I194-M198 HydrophobicContact CG2-SD 3.72Å; I194-M198 WeakPolarHBondContact O-CB 3.48Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.04Å; M198-M201 HydrophobicContact CG-CE 4.33Å; M198-K202 WeakPolarHBondContact O-CB 3.39Å; M198-K202 PolarHBondContact O-N 2.82Å
199	Q	33.9	Very low	32.2	Very low	91 Å²	91	114.5 Å²	114.5	43%	0.425	58%	0.58	S	S	.	*	H	α-helix	trans	-74.3	-33.1	174.9	-171.6	63.8	42.9	0	0	112	K195 E197 K202 N203	K195-Q199 VanDerWaalsContact O-CB 3.28Å; K195-Q199 WeakPolarHBondContact O-CB 3.49Å; K195-Q199 PolarHBondContact O-N 3.04Å; K195-Q199 VanDerWaalsContact O-N 3.13Å; E197-Q199 PolarHBondContact O-N 2.84Å; Q199-K202 PolarHBondContact O-N 2.83Å; Q199-N203 PolarHBondContact NE2-OD1 2.99Å; Q199-N203 WeakPolarHBondContact O-CB 3.32Å; Q199-N203 PolarHBondContact O-N 2.99Å; Q199-N203 PolarHBondContact O-ND2 2.95Å
200	Y	34	Very low	31.7	Very low	158 Å²	158	113.8 Å²	113.8	62%	0.62	58%	0.58	S	S	*	*	H	α-helix	trans	-64.5	-44.1	173.3	-166.1	-97.9	0	0	0	111.2	K196 E197 K202 N203 N204	K196-Y200 WeakPolarHBondContact O-CB 3.29Å; K196-Y200 PolarHBondContact O-N 3.08Å; E197-Y200 PolarHBondContact O-N 2.84Å; Y200-K202 PolarHBondContact O-N 3.47Å; Y200-N203 PolarHBondContact O-N 3.33Å; Y200-N204 WeakPolarHBondContact CE1-ND2 3.41Å; Y200-N204 PolarHBondContact O-N 2.72Å; Y200-N204 VanDerWaalsContact O-N 3.12Å
201	M	30.2	Very low	31.4	Very low	102 Å²	102	116.1 Å²	116.1	50%	0.502	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-40.1	173.1	-75	-169.9	-78.4	0	0	113	E197 M198 N203 N204 M205	E197-M201 PolarHBondContact O-N 3.14Å; E197-M201 VanDerWaalsContact O-N 3.07Å; M198-M201 HydrophobicContact CG-CE 4.33Å; M201-N203 PolarHBondContact O-N 2.75Å; M201-N204 PolarHBondContact O-N 3.33Å; M201-M205 PolarHBondContact O-N 3.29Å; M201-M205 VanDerWaalsContact O-N 3.16Å
202	K	32.9	Very low	31	Very low	120 Å²	120	120.5 Å²	120.5	52%	0.522	61%	0.609	S	S	.	*	H	α-helix	trans	-63.7	-39.7	175.6	-170.6	176.3	177.3	178.8	0	111.9	M198 Q199 Y200 Y206	M198-K202 WeakPolarHBondContact O-CB 3.39Å; M198-K202 PolarHBondContact O-N 2.82Å; Q199-K202 PolarHBondContact O-N 2.83Å; Y200-K202 PolarHBondContact O-N 3.47Å; K202-Y206 HydrophobicContact CG-CD2 4.38Å; K202-Y206 HydrophobicContact CG-CE2 4.33Å; K202-Y206 WeakPolarHBondContact O-CD2 3.47Å
203	N	31.8	Very low	30.9	Very low	102 Å²	102	121.3 Å²	121.3	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-74.6	-25.4	-178.7	-69.2	-11	0	0	0	113	Q199 Y200 M201	Q199-N203 PolarHBondContact NE2-OD1 2.99Å; Q199-N203 WeakPolarHBondContact O-CB 3.32Å; Q199-N203 PolarHBondContact O-N 2.99Å; Q199-N203 PolarHBondContact O-ND2 2.95Å; Y200-N203 PolarHBondContact O-N 3.33Å; M201-N203 PolarHBondContact O-N 2.75Å
204	N	33.3	Very low	30.7	Very low	111 Å²	111	126 Å²	126	59%	0.594	62%	0.62	S	S	*	*	H	α-helix	trans	-87.4	-15.7	175.9	-80.5	-9.4	0	0	0	114.3	Y200 M201	Y200-N204 WeakPolarHBondContact CE1-ND2 3.41Å; Y200-N204 PolarHBondContact O-N 2.72Å; Y200-N204 VanDerWaalsContact O-N 3.12Å; M201-N204 PolarHBondContact O-N 3.33Å
205	M	29.2	Very low	30.3	Very low	163 Å²	163	130.3 Å²	130.3	80%	0.803	63%	0.631	S	S	*	*	H	α-helix	trans	-84.5	-20.1	175.5	-84.5	-172.8	74.7	0	0	114.7	M201	M201-M205 PolarHBondContact O-N 3.29Å; M201-M205 VanDerWaalsContact O-N 3.16Å
206	Y	31.4	Very low	29.9	Very low	198 Å²	198	129.4 Å²	129.4	78%	0.776	64%	0.64	S	S	*	*	S	Bend	trans	-99.5	19.5	-175.5	-79.4	-82.6	0	0	0	114.6	K202	K202-Y206 HydrophobicContact CG-CD2 4.38Å; K202-Y206 HydrophobicContact CG-CE2 4.33Å; K202-Y206 WeakPolarHBondContact O-CD2 3.47Å
207	G	28	Very low	29.6	Very low	61 Å²	61	129.6 Å²	129.6	63%	0.629	64%	0.643	S	S	*	*			trans	-90.1	3.6	-174.1	0	0	0	0	0	117.8
208	H	27.3	Very low	29.4	Very low	179 Å²	179	135.2 Å²	135.2	83%	0.829	66%	0.661	S	S	*	*			trans	-128	106.8	179.4	-88.4	-10	0	0	0	113.3
209	Q	25.9	Very low	29.1	Very low	184 Å²	184	135.1 Å²	135.1	86%	0.86	68%	0.679	S	S	*	*			trans	-104.7	114.2	175.1	179.5	154.5	12.5	0	0	109.6
210	T	28.4	Very low	28.9	Very low	121 Å²	121	139 Å²	139	74%	0.742	70%	0.702	S	S	*	*			trans	-170.1	103.3	156.7	12.2	0	0	0	0	109.6
211	V	27	Very low	28.6	Very low	123 Å²	123	139.3 Å²	139.3	75%	0.745	71%	0.714	S	S	*	*				72.3	111.3	93.4	178.9	0	0	0	0	113.3
212	I	24.3	Very low	28.8	Very low	122 Å²	122	143.1 Å²	143.1	63%	0.626	73%	0.731	S	S	*	*			trans	-124.4	132.2	166.3	-60.8	175.1	0	0	0	108.5	L231	I212-L231 HydrophobicContact CD1-CD1 3.47Å; I212-L231 VanDerWaalsContact CD1-CD1 3.47Å; I212-L231 HydrophobicContact CD1-CD2 3.84Å; I212-L231 HydrophobicContact CD1-CG 3.52Å; I212-L231 HydrophobicContact CG1-CD2 4.47Å
213	P	30.4	Very low	28.7	Very low	92 Å²	92	142.4 Å²	142.4	60%	0.597	74%	0.738	S	S	*	*			trans	-119.4	135.3	147.2	5.8	16	0	0	0	112.4
214	Y	28.2	Very low	29.1	Very low	181 Å²	181	144.1 Å²	144.1	71%	0.71	75%	0.752	S	S	*	*			trans	73.9	144.5	139.6	-78.9	-54.1	0	0	0	120.1
215	Y	25.4	Very low	29.1	Very low	182 Å²	182	144.2 Å²	144.2	71%	0.714	75%	0.748	S	S	*	*			cis	-151.3	167.7	9.4	-104.9	-71.7	0	0	0	111.3
216	S	26	Very low	29.2	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	73%	0.734	S	S	*	*			trans	-38.3	137.7	167	55.5	0	0	0	0	119.6
217	E	28	Very low	29.4	Very low	162 Å²	162	135.4 Å²	135.4	76%	0.757	73%	0.726	S	S	*	*				-165.9	147.8	119.5	-109.8	177.1	171	0	0	107
218	Y	29.3	Very low	29.7	Very low	218 Å²	218	135.8 Å²	135.8	86%	0.855	72%	0.723	S	S	*	*	S	Bend	trans	81.4	94.9	-173.6	-46	-70.1	0	0	0	115.6	L220	Y218-L220 PolarHBondContact O-N 3.49Å
219	G	26.9	Very low	30.2	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	69%	0.694	S	S	*	*			trans	-58.3	119.4	178.9	0	0	0	0	0	113.8
220	L	29.4	Very low	30.8	Very low	173 Å²	173	125.8 Å²	125.8	91%	0.906	68%	0.681	S	S	*	*			trans	-137.2	96.7	149.1	-82.9	171.1	0	0	0	106.3	Y218 E222	Y218-L220 PolarHBondContact O-N 3.49Å; L220-E222 PolarHBondContact O-N 2.81Å
221	N	28.4	Very low	31.1	Very low	165 Å²	165	124.7 Å²	124.7	88%	0.882	67%	0.67	S	S	*	*			trans	-83.3	89.8	175.4	-65	-26.8	0	0	0	108.6
222	E	32.9	Very low	31.5	Very low	182 Å²	182	122.2 Å²	122.2	85%	0.85	66%	0.658	S	S	*	*			trans	-165.9	126.5	147	-120.5	-174.4	177.3	0	0	112.6	L220 T224	L220-E222 PolarHBondContact O-N 2.81Å; E222-T224 PolarHBondContact O-N 3.41Å
223	P	32.1	Very low	32.2	Very low	105 Å²	105	120.6 Å²	120.6	68%	0.682	65%	0.65	S	S	*	*			trans	15.6	-95.4	170.3	45.9	-35	0	0	0	124.2
224	T	40	Very low	32.4	Very low	137 Å²	137	120.9 Å²	120.9	84%	0.84	65%	0.654	S	S	*	*	S	Bend		-136.2	7.2	-109.1	9.8	0	0	0	0	120.3	E222	E222-T224 PolarHBondContact O-N 3.41Å
225	F	32.1	Very low	32.6	Very low	114 Å²	114	115.3 Å²	115.3	50%	0.5	64%	0.642	S	S	.	*	S	Bend	trans	-130.7	-26.2	-176.9	-172.3	-105.8	0	0	0	115.2	E32	E32-F225 HydrophobicContact CB-CD1 4.16Å; E32-F225 HydrophobicContact CB-CE1 4.05Å; E32-F225 HydrophobicContact CG-CD1 3.97Å; E32-F225 HydrophobicContact CG-CE1 4.36Å; E32-F225 HydrophobicContact CG-CG 4.44Å
226	A	32.8	Very low	32.9	Very low	62 Å²	62	112.8 Å²	112.8	51%	0.512	65%	0.651	S	S	.	*	H	α-helix	trans	-85.4	-27.7	-175.2	0	0	0	0	0	114	L229 L230	A226-L229 WeakPolarHBondContact O-CB 3.42Å; A226-L229 PolarHBondContact O-N 3.08Å; A226-L230 PolarHBondContact O-N 3.04Å; A226-L230 VanDerWaalsContact O-N 3.15Å
227	D	34.5	Very low	33.2	Very low	114 Å²	114	116 Å²	116	61%	0.61	65%	0.652	S	S	*	*	H	α-helix	trans	-73.3	-29.3	174.8	-72.4	-17	0	0	0	112.4	L229 L230 L231	D227-L229 VanDerWaalsContact C-N 3.28Å; D227-L229 PolarHBondContact O-N 3.41Å; D227-L230 PolarHBondContact O-N 3.5Å; D227-L231 PolarHBondContact O-N 3.07Å
228	A	34.1	Very low	33.4	Very low	69 Å²	69	111.6 Å²	111.6	57%	0.57	64%	0.637	S	S	*	*	H	α-helix	trans	-70.5	-24.6	171.1	0	0	0	0	0	112.9
229	L	39	Very low	33.5	Very low	40 Å²	40	107.6 Å²	107.6	21%	0.209	63%	0.626	C	S	.	*	H	α-helix	trans	-76.7	-36.3	173.4	-143.7	87.5	0	0	0	112.1	L162 A226 D227 S232 L233	L162-L229 HydrophobicContact CD1-CD1 3.31Å; L162-L229 HydrophobicContact CD1-CG 4.33Å; L162-L229 HydrophobicContact CD2-CD1 3.72Å; L162-L229 HydrophobicContact CD2-CD2 4.1Å; L162-L229 HydrophobicContact CD2-CG 4.31Å; L162-L229 HydrophobicContact CG-CD1 4.14Å; A226-L229 WeakPolarHBondContact O-CB 3.42Å; A226-L229 PolarHBondContact O-N 3.08Å; D227-L229 VanDerWaalsContact C-N 3.28Å; D227-L229 PolarHBondContact O-N 3.41Å; L229-S232 PolarHBondContact O-OG 3.35Å; L229-S232 VanDerWaalsContact O-OG 3.06Å; L229-L233 WeakPolarHBondContact O-CD1 3.43Å; L229-L233 WeakPolarHBondContact O-CG 3.31Å
230	L	36.9	Very low	33.5	Very low	112 Å²	112	113 Å²	113	59%	0.586	63%	0.626	S	S	*	*	H	α-helix	trans	-77	-24.5	-177.1	-86.4	158.9	0	0	0	112.9	A226 D227	A226-L230 PolarHBondContact O-N 3.04Å; A226-L230 VanDerWaalsContact O-N 3.15Å; D227-L230 PolarHBondContact O-N 3.5Å
231	L	35.9	Very low	33.8	Very low	99 Å²	99	111.4 Å²	111.4	52%	0.518	61%	0.612	S	S	.	*	H	α-helix	trans	-73.9	-36.3	172.2	-103.7	154.9	0	0	0	114.1	I212 D227 L233	I212-L231 HydrophobicContact CD1-CD1 3.47Å; I212-L231 VanDerWaalsContact CD1-CD1 3.47Å; I212-L231 HydrophobicContact CD1-CD2 3.84Å; I212-L231 HydrophobicContact CD1-CG 3.52Å; I212-L231 HydrophobicContact CG1-CD2 4.47Å; D227-L231 PolarHBondContact O-N 3.07Å; L231-L233 PolarHBondContact O-N 2.97Å
232	S	34.9	Very low	34	Very low	70 Å²	70	106.5 Å²	106.5	49%	0.49	59%	0.585	S	S	.	*	H	α-helix	trans	-76.5	-13	176.1	57.1	0	0	0	0	113.1	L229	L229-S232 PolarHBondContact O-OG 3.35Å; L229-S232 VanDerWaalsContact O-OG 3.06Å
233	L	38.4	Very low	34.1	Very low	89 Å²	89	100.8 Å²	100.8	47%	0.466	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.9	-7.2	-178	-72.1	170.1	0	0	0	115.2	K158 L229 L231	K158-L233 HydrophobicContact CD-CD2 4.17Å; K158-L233 HydrophobicContact CG-CD2 3.99Å; L229-L233 WeakPolarHBondContact O-CD1 3.43Å; L229-L233 WeakPolarHBondContact O-CG 3.31Å; L231-L233 PolarHBondContact O-N 2.97Å
234	S	35.4	Very low	34.5	Very low	97 Å²	97	100.5 Å²	100.5	68%	0.678	56%	0.555	S	S	*	*	S	Bend	trans	-90.3	-1.2	-166.3	94.5	0	0	0	0	118
235	S	33.1	Very low	34.4	Very low	65 Å²	65	98 Å²	98	46%	0.455	54%	0.539	S	S	.	.			trans	-144.5	113	173.9	-161.7	0	0	0	0	112.8	K237 T238	S235-K237 PolarHBondContact O-N 3.42Å; S235-T238 PolarHBondContact O-N 3.47Å; S235-T238 PolarHBondContact O-OG1 3.32Å
236	S	31.3	Very low	34.7	Very low	129 Å²	129	94.3 Å²	94.3	90%	0.902	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	52.2	168.9	176.2	0	0	0	0	113.4
237	K	31.6	Very low	35.1	Very low	163 Å²	163	95.9 Å²	95.9	71%	0.709	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	-2.5	171.7	-72.4	-177.8	177.4	175.8	0	111.4	S235	S235-K237 PolarHBondContact O-N 3.42Å
238	T	32.7	Very low	35.6	Very low	71 Å²	71	96.7 Å²	96.7	44%	0.436	52%	0.524	S	S	.	.	H	α-helix	trans	-82.3	-12.4	-179.1	46.8	0	0	0	0	114.5	S235 Y240 K241 L242	S235-T238 PolarHBondContact O-N 3.47Å; S235-T238 PolarHBondContact O-OG1 3.32Å; T238-Y240 VanDerWaalsContact C-N 3.29Å; T238-Y240 PolarHBondContact O-N 3.24Å; T238-K241 PolarHBondContact O-N 3.19Å; T238-L242 WeakPolarHBondContact O-CB 3.44Å; T238-L242 PolarHBondContact O-N 2.96Å
239	H	32.1	Very low	35.9	Very low	134 Å²	134	96.8 Å²	96.8	62%	0.62	52%	0.518	S	S	*	.	H	α-helix	trans	-57.5	-43.2	177.8	-141.7	92.5	0	0	0	111.5	V243	H239-V243 WeakPolarHBondContact O-CB 3.2Å; H239-V243 WeakPolarHBondContact O-CG2 3.3Å; H239-V243 PolarHBondContact O-N 2.57Å; H239-V243 VanDerWaalsContact O-N 3.12Å
240	Y	27.2	Very low	36.2	Very low	184 Å²	184	96.7 Å²	96.7	72%	0.722	52%	0.517	S	S	*	.	H	α-helix	trans	-72.5	-39.4	178.3	-61.4	-77.7	0	0	0	112.7	T238 V243 D244	T238-Y240 VanDerWaalsContact C-N 3.29Å; T238-Y240 PolarHBondContact O-N 3.24Å; Y240-V243 PolarHBondContact O-N 3.41Å; Y240-D244 PolarHBondContact O-N 2.9Å
241	K	33.9	Very low	36.6	Very low	139 Å²	139	94.1 Å²	94.1	60%	0.604	51%	0.509	S	S	*	.	H	α-helix	trans	-72.5	-34.4	179.8	-73.4	-174.9	174.8	-174	0	113.6	T238 V245	T238-K241 PolarHBondContact O-N 3.19Å; K241-V245 VanDerWaalsContact O-CG2 3.28Å; K241-V245 WeakPolarHBondContact O-CG2 3.43Å; K241-V245 PolarHBondContact O-N 2.89Å; K241-V245 VanDerWaalsContact O-N 3.08Å
242	L	33.3	Very low	36.9	Very low	61 Å²	61	92.2 Å²	92.2	32%	0.319	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-38.7	173.8	-162.1	81.2	0	0	0	110	T161 T238 V245 I246	T161-L242 HydrophobicContact CG2-CD2 4.06Å; T238-L242 WeakPolarHBondContact O-CB 3.44Å; T238-L242 PolarHBondContact O-N 2.96Å; L242-V245 PolarHBondContact O-N 3.43Å; L242-I246 HydrophobicContact CD2-CD1 4.07Å; L242-I246 HydrophobicContact CG-CD1 3.91Å; L242-I246 VanDerWaalsContact O-CB 3.23Å; L242-I246 WeakPolarHBondContact O-CB 3.24Å; L242-I246 WeakPolarHBondContact O-CD1 3.45Å; L242-I246 WeakPolarHBondContact O-CG1 3.39Å; L242-I246 PolarHBondContact O-N 2.97Å
243	V	36	Very low	37.2	Very low	63 Å²	63	92.3 Å²	92.3	38%	0.382	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-43.1	172	168.6	0	0	0	0	111.2	H239 Y240 V245 I246 D247	H239-V243 WeakPolarHBondContact O-CB 3.2Å; H239-V243 WeakPolarHBondContact O-CG2 3.3Å; H239-V243 PolarHBondContact O-N 2.57Å; H239-V243 VanDerWaalsContact O-N 3.12Å; Y240-V243 PolarHBondContact O-N 3.41Å; V243-V245 PolarHBondContact O-N 3.11Å; V243-I246 CarbonylContact O-C 3.58Å; V243-I246 PolarHBondContact O-N 3.21Å; V243-D247 VanDerWaalsContact O-CB 3.29Å; V243-D247 WeakPolarHBondContact O-CB 3.42Å; V243-D247 PolarHBondContact O-N 3.35Å
244	D	39.1	Very low	37.1	Very low	99 Å²	99	91.7 Å²	91.7	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.3	-65.4	-29	0	0	0	112.2	Y240 D247 E248	Y240-D244 PolarHBondContact O-N 2.9Å; D244-D247 PolarHBondContact O-N 2.92Å; D244-E248 WeakPolarHBondContact O-CB 3.45Å; D244-E248 PolarHBondContact O-N 3.27Å
245	V	38.6	Very low	37.6	Very low	83 Å²	83	91.4 Å²	91.4	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-39	176.4	171.9	0	0	0	0	111.1	K241 L242 V243 E248 V249	K241-V245 VanDerWaalsContact O-CG2 3.28Å; K241-V245 WeakPolarHBondContact O-CG2 3.43Å; K241-V245 PolarHBondContact O-N 2.89Å; K241-V245 VanDerWaalsContact O-N 3.08Å; L242-V245 PolarHBondContact O-N 3.43Å; V243-V245 PolarHBondContact O-N 3.11Å; V245-E248 PolarHBondContact O-N 2.94Å; V245-V249 HydrophobicContact CG1-CG2 4.46Å; V245-V249 WeakPolarHBondContact O-CB 3.3Å; V245-V249 WeakPolarHBondContact O-CG2 3.26Å; V245-V249 PolarHBondContact O-N 3.16Å
246	I	38.1	Very low	37.8	Very low	37 Å²	37	93.1 Å²	93.1	19%	0.19	47%	0.471	C	S	.	.	H	α-helix	trans	-65.7	-40.4	173.7	-72.9	166.4	0	0	0	110	L242 V243 V249 L250	L242-I246 HydrophobicContact CD2-CD1 4.07Å; L242-I246 HydrophobicContact CG-CD1 3.91Å; L242-I246 VanDerWaalsContact O-CB 3.23Å; L242-I246 WeakPolarHBondContact O-CB 3.24Å; L242-I246 WeakPolarHBondContact O-CD1 3.45Å; L242-I246 WeakPolarHBondContact O-CG1 3.39Å; L242-I246 PolarHBondContact O-N 2.97Å; V243-I246 CarbonylContact O-C 3.58Å; V243-I246 PolarHBondContact O-N 3.21Å; I246-V249 PolarHBondContact O-N 3.42Å; I246-L250 HydrophobicContact CG2-CD1 3.55Å; I246-L250 HydrophobicContact CG2-CG 4.09Å; I246-L250 WeakPolarHBondContact O-CA 3.43Å; I246-L250 WeakPolarHBondContact O-CB 3.12Å; I246-L250 WeakPolarHBondContact O-CG 3.29Å; I246-L250 PolarHBondContact O-N 2.83Å
247	D	41.8	Very low	38.1	Very low	95 Å²	95	88.5 Å²	88.5	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-36	177.1	-88.6	-9.2	0	0	0	111.7	V243 D244 S251	V243-D247 VanDerWaalsContact O-CB 3.29Å; V243-D247 WeakPolarHBondContact O-CB 3.42Å; V243-D247 PolarHBondContact O-N 3.35Å; D244-D247 PolarHBondContact O-N 2.92Å; D247-S251 WeakPolarHBondContact O-CA 3.4Å; D247-S251 WeakPolarHBondContact O-CB 3.48Å; D247-S251 PolarHBondContact O-N 3.22Å
248	E	45.3	Very low	38.4	Very low	131 Å²	131	88 Å²	88	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-69.7	-46.3	173.7	-171.2	170	-168.4	0	0	111.2	D244 V245 L250 S251 E252	D244-E248 WeakPolarHBondContact O-CB 3.45Å; D244-E248 PolarHBondContact O-N 3.27Å; V245-E248 PolarHBondContact O-N 2.94Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.5Å; E248-S251 WeakPolarHBondContact O-CB 3.35Å; E248-S251 PolarHBondContact O-N 3.43Å; E248-E252 PolarHBondContact O-N 3.13Å
249	V	40.4	Very low	38.7	Very low	72 Å²	72	88.7 Å²	88.7	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-40.6	174.4	170.4	0	0	0	0	111.2	V245 I246 Y253	V245-V249 HydrophobicContact CG1-CG2 4.46Å; V245-V249 WeakPolarHBondContact O-CB 3.3Å; V245-V249 WeakPolarHBondContact O-CG2 3.26Å; V245-V249 PolarHBondContact O-N 3.16Å; I246-V249 PolarHBondContact O-N 3.42Å; V249-Y253 WeakPolarHBondContact O-CB 3.21Å; V249-Y253 PolarHBondContact O-N 3.5Å
250	L	44.3	Very low	39.1	Very low	37 Å²	37	86.8 Å²	86.8	19%	0.194	43%	0.43	C	S	.	.	H	α-helix	trans	-69.9	-35.3	174.4	-77.1	172.3	0	0	0	111.3	V127 I246 E248 Y253 N254	V127-L250 HydrophobicContact CG1-CD2 4.31Å; V127-L250 HydrophobicContact CG2-CD2 4.15Å; I246-L250 HydrophobicContact CG2-CD1 3.55Å; I246-L250 HydrophobicContact CG2-CG 4.09Å; I246-L250 WeakPolarHBondContact O-CA 3.43Å; I246-L250 WeakPolarHBondContact O-CB 3.12Å; I246-L250 WeakPolarHBondContact O-CG 3.29Å; I246-L250 PolarHBondContact O-N 2.83Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.5Å; L250-Y253 PolarHBondContact O-N 3.3Å; L250-N254 WeakPolarHBondContact O-CA 3.42Å; L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-ND2 3.15Å
251	S	46.3	Very low	39.6	Very low	58 Å²	58	80.7 Å²	80.7	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-46.6	176.2	176.7	0	0	0	0	110.1	D247 E248 N254 R255	D247-S251 WeakPolarHBondContact O-CA 3.4Å; D247-S251 WeakPolarHBondContact O-CB 3.48Å; D247-S251 PolarHBondContact O-N 3.22Å; E248-S251 WeakPolarHBondContact O-CB 3.35Å; E248-S251 PolarHBondContact O-N 3.43Å; S251-N254 CarbonylContact O-C 3.48Å; S251-N254 PolarHBondContact O-N 3.17Å; S251-R255 VanDerWaalsContact O-CB 3.23Å; S251-R255 WeakPolarHBondContact O-CB 3.34Å; S251-R255 PolarHBondContact O-N 2.91Å
252	E	42.3	Very low	39.9	Very low	60 Å²	60	79.6 Å²	79.6	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-68.5	-39.4	175.4	-73.9	-54.9	115.5	0	0	111.8	E248 N254 R255 I256	E248-E252 PolarHBondContact O-N 3.13Å; E252-N254 VanDerWaalsContact C-N 3.35Å; E252-N254 PolarHBondContact O-N 2.67Å; E252-R255 PolarHBondContact O-N 2.98Å; E252-R255 IonicContact OE1-NE 3.88Å; E252-R255 PolarHBondContact OE1-NE 2.89Å; E252-R255 IonicContact OE1-NH2 3.9Å; E252-R255 IonicContact OE2-CZ 2.75Å; E252-R255 VanDerWaalsContact OE2-CZ 3.24Å; E252-R255 IonicContact OE2-NE 2.7Å; E252-R255 PolarHBondContact OE2-NE 3.17Å; E252-R255 IonicContact OE2-NH2 2.99Å; E252-R255 PolarHBondContact OE2-NH2 2.99Å; E252-I256 VanDerWaalsContact O-CB 3.3Å; E252-I256 WeakPolarHBondContact O-CB 3.44Å; E252-I256 WeakPolarHBondContact O-CG1 3.23Å; E252-I256 PolarHBondContact O-N 3.25Å
253	Y	39.9	Very low	40.3	Very low	71 Å²	71	83 Å²	83	28%	0.278	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-40.4	172.4	176.7	-93.8	0	0	0	112	F120 V123 V249 L250 G257	F120-Y253 AromaticContact CD2-CE2 3.98Å; F120-Y253 HydrophobicContact CD2-CE2 3.98Å; F120-Y253 AromaticContact CE2-CE2 3.86Å; F120-Y253 HydrophobicContact CE2-CE2 3.86Å; F120-Y253 AromaticContact CE2-CZ 3.64Å; F120-Y253 WeakPolarHBondContact CE2-OH 3.12Å; F120-Y253 WeakPolarHBondContact CZ-OH 3.42Å; V123-Y253 HydrophobicContact CG1-CD2 4.39Å; V123-Y253 HydrophobicContact CG1-CE2 4.33Å; V249-Y253 WeakPolarHBondContact O-CB 3.21Å; V249-Y253 PolarHBondContact O-N 3.5Å; L250-Y253 PolarHBondContact O-N 3.3Å; Y253-G257 WeakPolarHBondContact O-CA 3.14Å; Y253-G257 PolarHBondContact O-N 3.45Å
254	N	37.4	Very low	40.4	Very low	76 Å²	76	81.8 Å²	81.8	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-72.4	-32.9	175.2	-75.1	-37.6	0	0	0	111.2	L250 S251 E252 R258	L250-N254 WeakPolarHBondContact O-CA 3.42Å; L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-ND2 3.15Å; S251-N254 CarbonylContact O-C 3.48Å; S251-N254 PolarHBondContact O-N 3.17Å; E252-N254 VanDerWaalsContact C-N 3.35Å; E252-N254 PolarHBondContact O-N 2.67Å; N254-R258 WeakPolarHBondContact O-CA 3.5Å; N254-R258 WeakPolarHBondContact O-CB 3.44Å; N254-R258 WeakPolarHBondContact O-CG 3.45Å; N254-R258 PolarHBondContact O-N 2.88Å; N254-R258 PolarHBondContact O-NE 3.26Å
255	R	44.3	Very low	40.5	Very low	92 Å²	92	85.6 Å²	85.6	35%	0.347	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-51.4	174.8	-173.7	179.4	73.4	102.2	-12.1	110.1	S251 E252 G257 R258 E259	S251-R255 VanDerWaalsContact O-CB 3.23Å; S251-R255 WeakPolarHBondContact O-CB 3.34Å; S251-R255 PolarHBondContact O-N 2.91Å; E252-R255 PolarHBondContact O-N 2.98Å; E252-R255 IonicContact OE1-NE 3.88Å; E252-R255 PolarHBondContact OE1-NE 2.89Å; E252-R255 IonicContact OE1-NH2 3.9Å; E252-R255 IonicContact OE2-CZ 2.75Å; E252-R255 VanDerWaalsContact OE2-CZ 3.24Å; E252-R255 IonicContact OE2-NE 2.7Å; E252-R255 PolarHBondContact OE2-NE 3.17Å; E252-R255 IonicContact OE2-NH2 2.99Å; E252-R255 PolarHBondContact OE2-NH2 2.99Å; R255-G257 VanDerWaalsContact C-N 3.32Å; R255-G257 PolarHBondContact O-N 3.48Å; R255-R258 CarbonylContact O-C 3.58Å; R255-R258 PolarHBondContact O-N 2.82Å; R255-E259 IonicContact CZ-OE1 3.16Å; R255-E259 IonicContact NH1-OE1 2.68Å; R255-E259 PolarHBondContact NH1-OE1 3.43Å; R255-E259 WeakPolarHBondContact O-CB 3.17Å; R255-E259 WeakPolarHBondContact O-CG 3.42Å; R255-E259 PolarHBondContact O-N 3.05Å
256	I	38.4	Very low	41	Very low	100 Å²	100	86.7 Å²	86.7	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-42.7	174.5	-66.2	166.3	0	0	0	110.1	E252 E259 L260	E252-I256 VanDerWaalsContact O-CB 3.3Å; E252-I256 WeakPolarHBondContact O-CB 3.44Å; E252-I256 WeakPolarHBondContact O-CG1 3.23Å; E252-I256 PolarHBondContact O-N 3.25Å; I256-E259 PolarHBondContact O-N 2.87Å; I256-L260 WeakPolarHBondContact O-CB 3.43Å; I256-L260 PolarHBondContact O-N 3.29Å
257	G	36.3	Very low	41.1	Very low	32 Å²	32	89.3 Å²	89.3	33%	0.33	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.6	0	0	0	0	0	112.6	Y253 R255 A261	Y253-G257 WeakPolarHBondContact O-CA 3.14Å; Y253-G257 PolarHBondContact O-N 3.45Å; R255-G257 VanDerWaalsContact C-N 3.32Å; R255-G257 PolarHBondContact O-N 3.48Å; G257-A261 WeakPolarHBondContact O-CB 3.23Å; G257-A261 PolarHBondContact O-N 3.44Å
258	R	38.3	Very low	41.1	Very low	153 Å²	153	87.9 Å²	87.9	58%	0.577	42%	0.422	S	S	*	.	H	α-helix	trans	-70.2	-43.8	174	-80.1	-176.5	-63.8	-116.4	1.6	112.1	N254 R255 L260 A261 Q262	N254-R258 WeakPolarHBondContact O-CA 3.5Å; N254-R258 WeakPolarHBondContact O-CB 3.44Å; N254-R258 WeakPolarHBondContact O-CG 3.45Å; N254-R258 PolarHBondContact O-N 2.88Å; N254-R258 PolarHBondContact O-NE 3.26Å; R255-R258 CarbonylContact O-C 3.58Å; R255-R258 PolarHBondContact O-N 2.82Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-A261 PolarHBondContact O-N 2.81Å; R258-Q262 WeakPolarHBondContact O-CB 3.23Å; R258-Q262 PolarHBondContact O-N 3.44Å
259	E	40.2	Very low	41.2	Very low	85 Å²	85	86.6 Å²	86.6	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-40.3	175.3	-76.8	-172.1	-158.7	0	0	110.7	R255 I256 K263	R255-E259 IonicContact CZ-OE1 3.16Å; R255-E259 IonicContact NH1-OE1 2.68Å; R255-E259 PolarHBondContact NH1-OE1 3.43Å; R255-E259 WeakPolarHBondContact O-CB 3.17Å; R255-E259 WeakPolarHBondContact O-CG 3.42Å; R255-E259 PolarHBondContact O-N 3.05Å; I256-E259 PolarHBondContact O-N 2.87Å; E259-K263 VanDerWaalsContact O-CB 3.26Å; E259-K263 WeakPolarHBondContact O-CB 3.46Å; E259-K263 VanDerWaalsContact O-CG 3.3Å; E259-K263 WeakPolarHBondContact O-CG 3.06Å; E259-K263 PolarHBondContact O-N 2.93Å
260	L	39	Very low	41.6	Very low	95 Å²	95	88 Å²	88	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-45.1	173.8	-175.3	67.6	0	0	0	111	I256 R258 K263 L264	I256-L260 WeakPolarHBondContact O-CB 3.43Å; I256-L260 PolarHBondContact O-N 3.29Å; R258-L260 VanDerWaalsContact C-N 3.32Å; L260-K263 PolarHBondContact O-N 3.38Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 VanDerWaalsContact O-CB 3.26Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.04Å; L260-L264 PolarHBondContact O-N 3.45Å
261	A	37.4	Very low	41.5	Very low	56 Å²	56	88.5 Å²	88.5	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-38	177.3	0	0	0	0	0	112.3	G257 R258 L264 R265	G257-A261 WeakPolarHBondContact O-CB 3.23Å; G257-A261 PolarHBondContact O-N 3.44Å; R258-A261 PolarHBondContact O-N 2.81Å; A261-L264 PolarHBondContact O-N 2.85Å; A261-R265 WeakPolarHBondContact O-CB 3.41Å; A261-R265 PolarHBondContact O-N 3.41Å
262	Q	41.7	Very low	41.3	Very low	116 Å²	116	89.4 Å²	89.4	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-46.4	175.7	-176.6	179	-13.5	0	0	110.6	R258 L264 R265 E266	R258-Q262 WeakPolarHBondContact O-CB 3.23Å; R258-Q262 PolarHBondContact O-N 3.44Å; Q262-L264 VanDerWaalsContact C-N 3.29Å; Q262-L264 PolarHBondContact O-N 3.22Å; Q262-R265 PolarHBondContact O-N 3.41Å; Q262-R265 VanDerWaalsContact O-N 3.13Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.39Å; Q262-E266 PolarHBondContact NE2-OE1 3.38Å; Q262-E266 WeakPolarHBondContact O-CG 3.16Å; Q262-E266 PolarHBondContact O-N 3.37Å
263	K	41.3	Very low	41.5	Very low	133 Å²	133	91.4 Å²	91.4	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-61.2	-38.5	173.3	-79.1	-179.2	177.9	176.5	0	112	E259 L260 Y267	E259-K263 VanDerWaalsContact O-CB 3.26Å; E259-K263 WeakPolarHBondContact O-CB 3.46Å; E259-K263 VanDerWaalsContact O-CG 3.3Å; E259-K263 WeakPolarHBondContact O-CG 3.06Å; E259-K263 PolarHBondContact O-N 2.93Å; L260-K263 PolarHBondContact O-N 3.38Å; K263-Y267 WeakPolarHBondContact O-CB 3.33Å; K263-Y267 PolarHBondContact O-N 3.03Å
264	L	38.5	Very low	41.6	Very low	36 Å²	36	91.6 Å²	91.6	19%	0.188	44%	0.44	C	S	.	.	H	α-helix	trans	-64.7	-43	173.5	-77.4	171.1	0	0	0	110.9	V96 L260 A261 Q262 Y267 F268	V96-L264 HydrophobicContact CG1-CD2 3.79Å; V96-L264 HydrophobicContact CG2-CD2 4.22Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 VanDerWaalsContact O-CB 3.26Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.04Å; L260-L264 PolarHBondContact O-N 3.45Å; A261-L264 PolarHBondContact O-N 2.85Å; Q262-L264 VanDerWaalsContact C-N 3.29Å; Q262-L264 PolarHBondContact O-N 3.22Å; L264-Y267 CarbonylContact O-C 3.6Å; L264-Y267 PolarHBondContact O-N 3.01Å; L264-F268 HydrophobicContact CB-CD2 4.38Å; L264-F268 HydrophobicContact CB-CE2 4.35Å; L264-F268 WeakPolarHBondContact O-CB 2.95Å; L264-F268 WeakPolarHBondContact O-CD2 3.47Å; L264-F268 WeakPolarHBondContact O-CG 3.27Å; L264-F268 PolarHBondContact O-N 2.89Å
265	R	40.6	Very low	41.6	Very low	179 Å²	179	90.8 Å²	90.8	68%	0.675	44%	0.444	S	S	*	.	H	α-helix	trans	-62	-51.4	175.4	177.5	174.5	-82.5	-169.7	-6.8	111.7	A261 Q262 Y267 F268 D269	A261-R265 WeakPolarHBondContact O-CB 3.41Å; A261-R265 PolarHBondContact O-N 3.41Å; Q262-R265 PolarHBondContact O-N 3.41Å; Q262-R265 VanDerWaalsContact O-N 3.13Å; R265-Y267 PolarHBondContact O-N 2.54Å; R265-F268 PolarHBondContact O-N 3.04Å; R265-F268 VanDerWaalsContact O-N 3.1Å; R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 VanDerWaalsContact O-CG 3.28Å; R265-D269 PolarHBondContact O-N 3.26Å
266	E	48.4	Very low	41.5	Very low	106 Å²	106	91.7 Å²	91.7	50%	0.495	45%	0.452	S	S	.	.	H	α-helix	trans	-56.2	-39.6	175.2	-72.3	169.6	-167.7	0	0	111	Q262 Q270	Q262-E266 WeakPolarHBondContact CG-OE1 3.39Å; Q262-E266 PolarHBondContact NE2-OE1 3.38Å; Q262-E266 WeakPolarHBondContact O-CG 3.16Å; Q262-E266 PolarHBondContact O-N 3.37Å; E266-Q270 VanDerWaalsContact O-CB 3.27Å; E266-Q270 WeakPolarHBondContact O-CB 3.33Å; E266-Q270 PolarHBondContact O-N 2.86Å
267	Y	41.3	Very low	41.7	Very low	93 Å²	93	90.6 Å²	90.6	37%	0.365	45%	0.445	S	S	.	.	H	α-helix	trans	-69.4	-41	176.4	-171.7	-95.3	0	0	0	112.8	Y100 K263 L264 R265 Q270 M271	Y100-Y267 HydrophobicContact CE1-CD2 4.22Å; Y100-Y267 AromaticContact CE1-CE1 3.98Å; Y100-Y267 HydrophobicContact CE1-CE1 3.98Å; Y100-Y267 AromaticContact CE1-CE2 3.46Å; Y100-Y267 HydrophobicContact CE1-CE2 3.46Å; Y100-Y267 VanDerWaalsContact CE1-CE2 3.46Å; Y100-Y267 AromaticContact CE1-CZ 3.32Å; Y100-Y267 VanDerWaalsContact CE1-OH 3.3Å; Y100-Y267 WeakPolarHBondContact CE1-OH 3.41Å; Y100-Y267 HydrophobicContact CE2-CD1 4.41Å; Y100-Y267 HydrophobicContact CE2-CE1 4.02Å; Y100-Y267 AromaticContact CZ-CD1 3.84Å; Y100-Y267 AromaticContact CZ-CD2 3.93Å; Y100-Y267 AromaticContact CZ-CE1 3.45Å; Y100-Y267 VanDerWaalsContact CZ-CE1 3.45Å; Y100-Y267 AromaticContact CZ-CE2 3.55Å; Y100-Y267 AromaticContact CZ-CZ 3.29Å; Y100-Y267 WeakPolarHBondContact OH-CD1 3.22Å; Y100-Y267 WeakPolarHBondContact OH-CD2 3.32Å; Y100-Y267 WeakPolarHBondContact OH-CE1 3.49Å; Y100-Y267 WeakPolarHBondContact OH-CE2 3.27Å; K263-Y267 WeakPolarHBondContact O-CB 3.33Å; K263-Y267 PolarHBondContact O-N 3.03Å; L264-Y267 CarbonylContact O-C 3.6Å; L264-Y267 PolarHBondContact O-N 3.01Å; R265-Y267 PolarHBondContact O-N 2.54Å; Y267-Q270 PolarHBondContact O-N 3.16Å; Y267-M271 HydrophobicContact CE1-SD 3.9Å; Y267-M271 WeakPolarHBondContact O-CB 3.28Å; Y267-M271 PolarHBondContact O-N 3.48Å
268	F	40.6	Very low	41.7	Very low	65 Å²	65	96.9 Å²	96.9	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.1	-83.2	-65.4	0	0	0	110.9	L264 R265 Q270 M271 V272 L303	L264-F268 HydrophobicContact CB-CD2 4.38Å; L264-F268 HydrophobicContact CB-CE2 4.35Å; L264-F268 WeakPolarHBondContact O-CB 2.95Å; L264-F268 WeakPolarHBondContact O-CD2 3.47Å; L264-F268 WeakPolarHBondContact O-CG 3.27Å; L264-F268 PolarHBondContact O-N 2.89Å; R265-F268 PolarHBondContact O-N 3.04Å; R265-F268 VanDerWaalsContact O-N 3.1Å; F268-Q270 VanDerWaalsContact C-N 3.32Å; F268-Q270 PolarHBondContact O-N 3.37Å; F268-M271 PolarHBondContact O-N 3.12Å; F268-V272 WeakPolarHBondContact O-CB 3.35Å; F268-V272 VanDerWaalsContact O-CG2 3.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.48Å; F268-V272 PolarHBondContact O-N 3.12Å; F268-L303 HydrophobicContact CE1-CD2 4.23Å; F268-L303 HydrophobicContact CZ-CD2 3.57Å; F268-L303 HydrophobicContact CZ-CG 4.07Å
269	D	49.1	Very low	41.7	Very low	103 Å²	103	94.7 Å²	94.7	55%	0.551	46%	0.463	S	S	*	.	H	α-helix	trans	-60.5	-43.8	176.5	-67.1	-22.1	0	0	0	110.3	R265 F273	R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 VanDerWaalsContact O-CG 3.28Å; R265-D269 PolarHBondContact O-N 3.26Å; D269-F273 WeakPolarHBondContact O-CB 3.08Å; D269-F273 PolarHBondContact O-N 2.87Å
270	Q	48.4	Very low	41.6	Very low	101 Å²	101	95.3 Å²	95.3	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-67.5	-35.9	176.3	-168.2	63.8	53.1	0	0	112.6	E266 Y267 F268 N274	E266-Q270 VanDerWaalsContact O-CB 3.27Å; E266-Q270 WeakPolarHBondContact O-CB 3.33Å; E266-Q270 PolarHBondContact O-N 2.86Å; Y267-Q270 PolarHBondContact O-N 3.16Å; F268-Q270 VanDerWaalsContact C-N 3.32Å; F268-Q270 PolarHBondContact O-N 3.37Å; Q270-N274 PolarHBondContact NE2-OD1 3.42Å; Q270-N274 VanDerWaalsContact O-CB 3.28Å; Q270-N274 WeakPolarHBondContact O-CB 3.27Å; Q270-N274 PolarHBondContact O-N 3.04Å; Q270-N274 PolarHBondContact O-ND2 3.31Å; Q270-N274 PolarHBondContact O-OD1 3.36Å
271	M	40.8	Very low	41.6	Very low	48 Å²	48	95.3 Å²	95.3	24%	0.236	47%	0.472	C	S	.	.	H	α-helix	trans	-76	-37.5	-179.1	-157.8	-180	83.2	0	0	111.8	Y267 F268 N274 A275 I300	Y267-M271 HydrophobicContact CE1-SD 3.9Å; Y267-M271 WeakPolarHBondContact O-CB 3.28Å; Y267-M271 PolarHBondContact O-N 3.48Å; F268-M271 PolarHBondContact O-N 3.12Å; M271-N274 PolarHBondContact O-N 3.26Å; M271-A275 WeakPolarHBondContact O-CB 3.47Å; M271-A275 PolarHBondContact O-N 3.19Å; M271-I300 HydrophobicContact CE-CB 4.34Å; M271-I300 HydrophobicContact CE-CD1 3.6Å; M271-I300 HydrophobicContact CE-CG1 3.96Å; M271-I300 HydrophobicContact CE-CG2 3.44Å; M271-I300 VanDerWaalsContact CE-CG2 3.44Å; M271-I300 HydrophobicContact SD-CD1 3.91Å
272	V	42.3	Very low	41.7	Very low	77 Å²	77	95.8 Å²	95.8	47%	0.467	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-47.9	169	171.5	0	0	0	0	109.5	F268 N274 A275 E276	F268-V272 WeakPolarHBondContact O-CB 3.35Å; F268-V272 VanDerWaalsContact O-CG2 3.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.48Å; F268-V272 PolarHBondContact O-N 3.12Å; V272-N274 PolarHBondContact O-N 3.31Å; V272-A275 PolarHBondContact O-N 2.91Å; V272-E276 WeakPolarHBondContact O-CG 3.37Å; V272-E276 PolarHBondContact O-N 2.75Å
273	F	46.1	Very low	41.5	Very low	102 Å²	102	96.9 Å²	96.9	45%	0.447	48%	0.481	S	S	.	.	H	α-helix	trans	-59.3	-43.6	176.4	-173.6	-95.7	0	0	0	112.4	D269 E276 Q277	D269-F273 WeakPolarHBondContact O-CB 3.08Å; D269-F273 PolarHBondContact O-N 2.87Å; F273-E276 PolarHBondContact O-N 3.49Å; F273-Q277 HydrophobicContact CD1-CG 3.94Å; F273-Q277 HydrophobicContact CE1-CG 3.67Å; F273-Q277 HydrophobicContact CZ-CG 4.06Å; F273-Q277 WeakPolarHBondContact O-CB 3.49Å; F273-Q277 WeakPolarHBondContact O-CG 3.49Å; F273-Q277 PolarHBondContact O-N 3.11Å
274	N	42.4	Very low	41.7	Very low	75 Å²	75	96.7 Å²	96.7	40%	0.401	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-35.3	177.9	-70.3	-11.9	0	0	0	112	Q270 M271 V272 F278	Q270-N274 PolarHBondContact NE2-OD1 3.42Å; Q270-N274 VanDerWaalsContact O-CB 3.28Å; Q270-N274 WeakPolarHBondContact O-CB 3.27Å; Q270-N274 PolarHBondContact O-N 3.04Å; Q270-N274 PolarHBondContact O-ND2 3.31Å; Q270-N274 PolarHBondContact O-OD1 3.36Å; M271-N274 PolarHBondContact O-N 3.26Å; V272-N274 PolarHBondContact O-N 3.31Å; N274-F278 WeakPolarHBondContact O-CD2 3.48Å; N274-F278 PolarHBondContact O-N 2.94Å; N274-F278 VanDerWaalsContact O-N 3.12Å
275	A	38	Very low	41.9	Very low	60 Å²	60	100.9 Å²	100.9	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-37.4	174.3	0	0	0	0	0	112.1	M271 V272 N279	M271-A275 WeakPolarHBondContact O-CB 3.47Å; M271-A275 PolarHBondContact O-N 3.19Å; V272-A275 PolarHBondContact O-N 2.91Å; A275-N279 PolarHBondContact O-N 3.15Å
276	E	42.4	Very low	41.7	Very low	110 Å²	110	99.3 Å²	99.3	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-69.2	-40.9	174.7	-71.5	176.2	172	0	0	112.2	V272 F273 F278 N279 I280	V272-E276 WeakPolarHBondContact O-CG 3.37Å; V272-E276 PolarHBondContact O-N 2.75Å; F273-E276 PolarHBondContact O-N 3.49Å; E276-F278 PolarHBondContact O-N 2.98Å; E276-N279 PolarHBondContact O-N 3.37Å; E276-I280 WeakPolarHBondContact O-CG1 3.46Å; E276-I280 PolarHBondContact O-N 3.32Å; E276-I280 VanDerWaalsContact O-N 3.16Å
277	Q	42.2	Very low	40.8	Very low	77 Å²	77	100.6 Å²	100.6	36%	0.36	54%	0.535	S	S	.	.	H	α-helix	trans	-65.6	-35.9	177.5	-71.7	-75.5	-12.8	0	0	112.9	F273 N279 I280 V281	F273-Q277 HydrophobicContact CD1-CG 3.94Å; F273-Q277 HydrophobicContact CE1-CG 3.67Å; F273-Q277 HydrophobicContact CZ-CG 4.06Å; F273-Q277 WeakPolarHBondContact O-CB 3.49Å; F273-Q277 WeakPolarHBondContact O-CG 3.49Å; F273-Q277 PolarHBondContact O-N 3.11Å; Q277-N279 VanDerWaalsContact C-N 3.28Å; Q277-N279 PolarHBondContact O-N 3.13Å; Q277-I280 PolarHBondContact O-N 3.13Å; Q277-V281 WeakPolarHBondContact O-CG2 3.44Å; Q277-V281 PolarHBondContact O-N 3.12Å
278	F	37.5	Very low	40.4	Very low	165 Å²	165	102.6 Å²	102.6	72%	0.724	55%	0.55	S	S	*	*	H	α-helix	trans	-65.3	-30.7	174.7	-98.4	-82.2	0	0	0	112.7	N274 E276 S282	N274-F278 WeakPolarHBondContact O-CD2 3.48Å; N274-F278 PolarHBondContact O-N 2.94Å; N274-F278 VanDerWaalsContact O-N 3.12Å; E276-F278 PolarHBondContact O-N 2.98Å; F278-S282 WeakPolarHBondContact O-CB 3.34Å; F278-S282 PolarHBondContact O-N 2.92Å
279	N	36.6	Very low	39.8	Very low	107 Å²	107	109 Å²	109	57%	0.572	58%	0.581	S	S	*	*	H	α-helix	trans	-73.2	-37.9	172.9	-80.3	-15.3	0	0	0	112.1	A275 E276 Q277	A275-N279 PolarHBondContact O-N 3.15Å; E276-N279 PolarHBondContact O-N 3.37Å; Q277-N279 VanDerWaalsContact C-N 3.28Å; Q277-N279 PolarHBondContact O-N 3.13Å
280	I	39.2	Very low	38.9	Very low	98 Å²	98	109.9 Å²	109.9	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-76	-34.1	-177	-62.4	165.8	0	0	0	112.6	E276 Q277	E276-I280 WeakPolarHBondContact O-CG1 3.46Å; E276-I280 PolarHBondContact O-N 3.32Å; E276-I280 VanDerWaalsContact O-N 3.16Å; Q277-I280 PolarHBondContact O-N 3.13Å
281	V	39.5	Very low	38	Very low	95 Å²	95	113.8 Å²	113.8	58%	0.576	60%	0.6	S	S	*	*	H	α-helix	trans	-78.6	-25.6	180	177.1	0	0	0	0	112.2	Q277	Q277-V281 WeakPolarHBondContact O-CG2 3.44Å; Q277-V281 PolarHBondContact O-N 3.12Å
282	S	38.4	Very low	37.4	Very low	65 Å²	65	120.1 Å²	120.1	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-78	-22	177.2	-162.9	0	0	0	0	113.6	F278	F278-S282 WeakPolarHBondContact O-CB 3.34Å; F278-S282 PolarHBondContact O-N 2.92Å
283	D	39	Very low	36.9	Very low	139 Å²	139	120.9 Å²	120.9	74%	0.743	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-17.5	-178.9	-88.1	-18.6	0	0	0	114
284	N	44.2	Very low	36.5	Very low	130 Å²	130	122 Å²	122	70%	0.695	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-1.7	-174.5	-75.6	-38	0	0	0	115.1
285	N	42.6	Very low	36.7	Very low	123 Å²	123	125.1 Å²	125.1	66%	0.658	66%	0.661	S	S	*	*	S	Bend	trans	-133.5	99.7	179.4	-76.9	-42	0	0	0	111.4
286	N	37.6	Very low	37.4	Very low	147 Å²	147	125 Å²	125	79%	0.786	66%	0.656	S	S	*	*			trans	69.3	105.9	161.4	-63.3	-26.3	0	0	0	117.9	I288	N286-I288 PolarHBondContact O-N 3.43Å
287	S	29.1	Very low	38.4	Very low	132 Å²	132	121.9 Å²	121.9	92%	0.923	65%	0.646	S	S	*	*			trans	-29.2	95.6	156.9	174.7	0	0	0	0	114.5
288	I	32.7	Very low	39.6	Very low	135 Å²	135	122.2 Å²	122.2	69%	0.692	66%	0.655	S	S	*	*			trans	-137.9	129.2	161.7	-60.2	-179.9	0	0	0	106.7	N286 I290	N286-I288 PolarHBondContact O-N 3.43Å; I288-I290 PolarHBondContact O-N 3.47Å
289	H	27.5	Very low	40.7	Very low	200 Å²	200	114.6 Å²	114.6	93%	0.926	62%	0.623	S	S	*	*			trans	-47.4	100.1	173.2	-102.3	-81.4	0	0	0	111.5
290	I	30.2	Very low	41.8	Very low	121 Å²	121	111.1 Å²	111.1	62%	0.621	60%	0.604	S	S	*	*			trans	-90.7	108.6	170.8	-62.7	175.2	0	0	0	107.3	I288 E292	I288-I290 PolarHBondContact O-N 3.47Å; I290-E292 PolarHBondContact O-N 2.89Å
291	K	30.8	Very low	43.1	Very low	183 Å²	183	110.6 Å²	110.6	80%	0.796	60%	0.599	S	S	*	*			trans	-49.1	124	155.1	-89.6	175.5	170.5	175.1	0	107.4	T293	K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 HydrophobicContact CB-CG2 4.5Å; K291-T293 PolarHBondContact O-N 3.18Å
292	E	27.1	Very low	44.5	Very low	182 Å²	182	106.2 Å²	106.2	85%	0.85	57%	0.573	S	S	*	*			trans	-50.4	94.6	167	-69.9	177.4	154.9	0	0	109.7	I290	I290-E292 PolarHBondContact O-N 2.89Å
293	T	32.1	Very low	45.6	Very low	93 Å²	93	103.6 Å²	103.6	57%	0.571	55%	0.553	S	S	*	*			trans	-108.3	77.3	166	58.1	0	0	0	0	107.3	K291 N295	K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 HydrophobicContact CB-CG2 4.5Å; K291-T293 PolarHBondContact O-N 3.18Å; T293-N295 PolarHBondContact O-N 3.4Å
294	N	37.3	Very low	46.7	Very low	126 Å²	126	98.3 Å²	98.3	67%	0.674	53%	0.532	S	S	*	.			trans	-66.3	58	162.7	-77.2	-24.2	0	0	0	110	C296	N294-C296 VanDerWaalsContact C-N 3.27Å; N294-C296 PolarHBondContact O-N 2.88Å
295	N	47	Very low	48	Very low	139 Å²	139	94.8 Å²	94.8	74%	0.743	51%	0.511	S	S	*	.			trans	-89.5	63.8	-175.2	-82.2	-4.4	0	0	0	110.8	T293	T293-N295 PolarHBondContact O-N 3.4Å
296	C	52.9	Low	49	Very low	57 Å²	57	89.1 Å²	89.1	39%	0.385	48%	0.481	S	S	.	.			trans	-60.1	143	158.9	-156.3	0	0	0	0	108.8	N294 I300 Q301	N294-C296 VanDerWaalsContact C-N 3.27Å; N294-C296 PolarHBondContact O-N 2.88Å; C296-I300 VanDerWaalsContact SG-CB 3.57Å; C296-I300 WeakPolarHBondContact SG-CG2 3.22Å; C296-Q301 HydrophobicContact CB-CG 3.89Å; C296-Q301 PolarHBondContact O-NE2 3.34Å; C296-Q301 VanDerWaalsContact O-NE2 3.14Å
297	S	63.2	Low	50.2	Low	46 Å²	46	85.1 Å²	85.1	32%	0.322	46%	0.461	S	S	.	.			trans	-58.3	144.3	-176.7	85	0	0	0	0	110.2	G299 I300 Q301	S297-G299 PolarHBondContact O-N 3.31Å; S297-I300 PolarHBondContact O-N 3.28Å; S297-I300 WeakPolarHBondContact OG-CD1 3.48Å; S297-I300 VanDerWaalsContact OG-CG1 3.32Å; S297-I300 WeakPolarHBondContact OG-CG1 3.48Å; S297-I300 PolarHBondContact OG-N 3.1Å; S297-Q301 PolarHBondContact O-N 3.12Å; S297-Q301 VanDerWaalsContact O-N 3.12Å
298	P	67.2	Low	51.8	Low	84 Å²	84	83.9 Å²	83.9	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-55.2	-28	-178	-27.4	34.4	0	0	0	113.8	L15 L302	L15-P298 HydrophobicContact CD1-CB 3.84Å; P298-L302 WeakPolarHBondContact O-CB 3.45Å; P298-L302 PolarHBondContact O-N 3.3Å; P298-L302 VanDerWaalsContact O-N 3.16Å
299	G	61.2	Low	53.3	Low	4 Å²	4	79.4 Å²	79.4	4%	0.041	42%	0.42	C	S	.	.	H	α-helix	trans	-69.7	-42.1	175.5	0	0	0	0	0	113.3	S297 L302 L303	S297-G299 PolarHBondContact O-N 3.31Å; G299-L302 PolarHBondContact O-N 2.9Å; G299-L303 VanDerWaalsContact O-CB 3.29Å; G299-L303 WeakPolarHBondContact O-CB 3.34Å; G299-L303 PolarHBondContact O-N 3.22Å
300	I	59.6	Low	54.8	Low	34 Å²	34	72.1 Å²	72.1	17%	0.174	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-43.4	178.2	-64.6	162.3	0	0	0	110.5	M271 C296 S297 L302 L303 G304	M271-I300 HydrophobicContact CE-CB 4.34Å; M271-I300 HydrophobicContact CE-CD1 3.6Å; M271-I300 HydrophobicContact CE-CG1 3.96Å; M271-I300 HydrophobicContact CE-CG2 3.44Å; M271-I300 VanDerWaalsContact CE-CG2 3.44Å; M271-I300 HydrophobicContact SD-CD1 3.91Å; C296-I300 VanDerWaalsContact SG-CB 3.57Å; C296-I300 WeakPolarHBondContact SG-CG2 3.22Å; S297-I300 PolarHBondContact O-N 3.28Å; S297-I300 WeakPolarHBondContact OG-CD1 3.48Å; S297-I300 VanDerWaalsContact OG-CG1 3.32Å; S297-I300 WeakPolarHBondContact OG-CG1 3.48Å; S297-I300 PolarHBondContact OG-N 3.1Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 2.97Å; I300-L303 PolarHBondContact O-N 2.94Å; I300-G304 PolarHBondContact O-N 2.67Å
301	Q	66.1	Low	55.9	Low	87 Å²	87	70.3 Å²	70.3	41%	0.407	38%	0.378	S	S	.	.	H	α-helix	trans	-58.7	-46	176.5	-66.2	-176.5	4.1	0	0	111.2	C296 S297 G304 E305	C296-Q301 HydrophobicContact CB-CG 3.89Å; C296-Q301 PolarHBondContact O-NE2 3.34Å; C296-Q301 VanDerWaalsContact O-NE2 3.14Å; S297-Q301 PolarHBondContact O-N 3.12Å; S297-Q301 VanDerWaalsContact O-N 3.12Å; Q301-G304 PolarHBondContact O-N 3.22Å; Q301-E305 WeakPolarHBondContact O-CG 3.45Å; Q301-E305 PolarHBondContact O-N 3.12Å
302	L	68.4	Low	57.4	Low	4 Å²	4	64.4 Å²	64.4	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-67.4	-37.7	179.6	-176.2	62.4	0	0	0	112.6	L8 R11 A12 L15 L95 P298 G299 I300 G304 E305 M306	L8-L302 HydrophobicContact CD2-CD1 3.97Å; R11-L302 HydrophobicContact CB-CD1 3.81Å; R11-L302 HydrophobicContact CB-CD2 3.98Å; A12-L302 HydrophobicContact CB-CD2 3.74Å; L15-L302 HydrophobicContact CD2-CD2 4.4Å; L95-L302 HydrophobicContact CD1-CD2 4.46Å; L95-L302 HydrophobicContact CD2-CD2 4.03Å; P298-L302 WeakPolarHBondContact O-CB 3.45Å; P298-L302 PolarHBondContact O-N 3.3Å; P298-L302 VanDerWaalsContact O-N 3.16Å; G299-L302 PolarHBondContact O-N 2.9Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 2.97Å; L302-G304 VanDerWaalsContact C-N 3.34Å; L302-E305 PolarHBondContact O-N 3.06Å; L302-M306 WeakPolarHBondContact O-CG 3.42Å; L302-M306 PolarHBondContact O-N 3.44Å
303	L	62.9	Low	58.6	Low	9 Å²	9	58.5 Å²	58.5	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-42.1	175.3	-174.8	59.1	0	0	0	111	I92 L95 V96 F268 G299 I300 M306 V307	I92-L303 HydrophobicContact CG2-CD1 4.19Å; L95-L303 HydrophobicContact CB-CD1 4.46Å; V96-L303 HydrophobicContact CG2-CD1 4.44Å; V96-L303 HydrophobicContact CG2-CD2 3.85Å; F268-L303 HydrophobicContact CE1-CD2 4.23Å; F268-L303 HydrophobicContact CZ-CD2 3.57Å; F268-L303 HydrophobicContact CZ-CG 4.07Å; G299-L303 VanDerWaalsContact O-CB 3.29Å; G299-L303 WeakPolarHBondContact O-CB 3.34Å; G299-L303 PolarHBondContact O-N 3.22Å; I300-L303 PolarHBondContact O-N 2.94Å; L303-M306 PolarHBondContact O-N 3.1Å; L303-V307 WeakPolarHBondContact O-CG2 3.17Å; L303-V307 PolarHBondContact O-N 3.24Å
304	G	61.8	Low	59.3	Low	28 Å²	28	58 Å²	58	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-51.7	172.1	0	0	0	0	0	112.2	I300 Q301 L302 M306 V307 D308	I300-G304 PolarHBondContact O-N 2.67Å; Q301-G304 PolarHBondContact O-N 3.22Å; L302-G304 VanDerWaalsContact C-N 3.34Å; G304-M306 VanDerWaalsContact C-N 3.26Å; G304-M306 PolarHBondContact O-N 3.45Å; G304-V307 PolarHBondContact O-N 2.86Å; G304-V307 VanDerWaalsContact O-N 3.11Å; G304-D308 PolarHBondContact O-N 2.91Å
305	E	70.9	Confident	59.6	Low	57 Å²	57	57.9 Å²	57.9	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-36.6	177.8	-69.8	-178.2	-143.6	0	0	113.1	L8 R11 Q301 L302 K309	L8-E305 HydrophobicContact CD2-CB 3.79Å; L8-E305 WeakPolarHBondContact CD2-OE2 3.49Å; R11-E305 IonicContact CZ-OE1 2.88Å; R11-E305 VanDerWaalsContact CZ-OE1 3.31Å; R11-E305 IonicContact CZ-OE2 3.24Å; R11-E305 IonicContact NH1-OE1 2.94Å; R11-E305 PolarHBondContact NH1-OE1 3.22Å; R11-E305 IonicContact NH1-OE2 4Å; R11-E305 PolarHBondContact NH1-OE2 3.25Å; R11-E305 IonicContact NH2-OE1 3.19Å; R11-E305 PolarHBondContact NH2-OE1 3.08Å; R11-E305 IonicContact NH2-OE2 2.73Å; Q301-E305 WeakPolarHBondContact O-CG 3.45Å; Q301-E305 PolarHBondContact O-N 3.12Å; L302-E305 PolarHBondContact O-N 3.06Å; E305-K309 WeakPolarHBondContact O-CB 3.18Å; E305-K309 PolarHBondContact O-N 3.18Å; E305-K309 VanDerWaalsContact O-N 3.07Å
306	M	63.4	Low	58.9	Low	4 Å²	4	55 Å²	55	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-70.7	-39.5	176.7	-74.6	-177.7	68.2	0	0	112.6	W5 L8 P87 L91 I92 L95 L302 L303 G304 K309 L310	W5-M306 WeakPolarHBondContact CH2-O 3.26Å; W5-M306 HydrophobicContact CZ3-CB 4.21Å; W5-M306 HydrophobicContact CZ3-CE 4.02Å; W5-M306 HydrophobicContact CZ3-CG 4.17Å; L8-M306 HydrophobicContact CB-CG 4.1Å; L8-M306 HydrophobicContact CD1-CG 4.27Å; L8-M306 HydrophobicContact CD2-CG 4.37Å; L8-M306 HydrophobicContact CG-CG 4.49Å; P87-M306 HydrophobicContact CB-CE 3.62Å; P87-M306 HydrophobicContact CG-CE 3.63Å; L91-M306 HydrophobicContact CD2-CE 3.37Å; L91-M306 HydrophobicContact CD2-SD 3.83Å; I92-M306 HydrophobicContact CG1-CE 4.17Å; L95-M306 HydrophobicContact CD1-CE 4.32Å; L95-M306 HydrophobicContact CD1-SD 3.31Å; L95-M306 WeakPolarHBondContact CD1-SD 3.14Å; L302-M306 WeakPolarHBondContact O-CG 3.42Å; L302-M306 PolarHBondContact O-N 3.44Å; L303-M306 PolarHBondContact O-N 3.1Å; G304-M306 VanDerWaalsContact C-N 3.26Å; G304-M306 PolarHBondContact O-N 3.45Å; M306-K309 PolarHBondContact O-N 3.48Å; M306-L310 WeakPolarHBondContact O-CB 3.23Å; M306-L310 PolarHBondContact O-N 3.06Å
307	V	62.4	Low	57.9	Low	62 Å²	62	58.3 Å²	58.3	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-44.7	175.6	170.5	0	0	0	0	110.3	L303 G304 K309 L310 I311	L303-V307 WeakPolarHBondContact O-CG2 3.17Å; L303-V307 PolarHBondContact O-N 3.24Å; G304-V307 PolarHBondContact O-N 2.86Å; G304-V307 VanDerWaalsContact O-N 3.11Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.03Å; V307-L310 WeakPolarHBondContact O-CB 3.44Å; V307-L310 PolarHBondContact O-N 3.41Å; V307-L310 VanDerWaalsContact O-N 3.1Å; V307-I311 HydrophobicContact CG1-CD1 3.85Å; V307-I311 HydrophobicContact CG1-CG1 4.44Å; V307-I311 WeakPolarHBondContact O-CG1 3.18Å; V307-I311 PolarHBondContact O-N 2.98Å
308	D	63.9	Low	56.4	Low	107 Å²	107	65.1 Å²	65.1	57%	0.572	39%	0.392	S	S	*	.	H	α-helix	trans	-60	-42.7	176.9	-70.5	-23.4	0	0	0	111.5	G304 L310 I311 S312	G304-D308 PolarHBondContact O-N 2.91Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 3.39Å; D308-I311 PolarHBondContact O-N 3.49Å; D308-S312 WeakPolarHBondContact O-CB 3.16Å; D308-S312 PolarHBondContact O-N 3.06Å
309	K	63.8	Low	55.9	Low	40 Å²	40	64.2 Å²	64.2	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-39.8	175.4	-176.7	55.9	178.2	148.3	0	111.9	T3 W5 L8 E305 M306 V307 S312 D313	T3-K309 VanDerWaalsContact O-CE 3.27Å; T3-K309 WeakPolarHBondContact O-CE 3.23Å; W5-K309 HydrophobicContact CD2-CG 4Å; W5-K309 HydrophobicContact CE3-CG 4.32Å; W5-K309 HydrophobicContact CH2-CB 4.24Å; W5-K309 HydrophobicContact CH2-CG 4.18Å; W5-K309 HydrophobicContact CZ2-CB 4.28Å; W5-K309 HydrophobicContact CZ2-CG 3.81Å; W5-K309 HydrophobicContact CZ3-CG 4.39Å; L8-K309 HydrophobicContact CD1-CB 3.84Å; L8-K309 HydrophobicContact CD1-CG 3.96Å; E305-K309 WeakPolarHBondContact O-CB 3.18Å; E305-K309 PolarHBondContact O-N 3.18Å; E305-K309 VanDerWaalsContact O-N 3.07Å; M306-K309 PolarHBondContact O-N 3.48Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.03Å; K309-S312 PolarHBondContact O-N 3.27Å; K309-D313 WeakPolarHBondContact CE-OD1 3.41Å; K309-D313 IonicContact NZ-OD1 3.71Å; K309-D313 PolarHBondContact NZ-OD1 2.98Å; K309-D313 IonicContact NZ-OD2 3.49Å; K309-D313 PolarHBondContact O-N 3.49Å
310	L	58.6	Low	55.6	Low	48 Å²	48	67.4 Å²	67.4	25%	0.251	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-42.7	177.9	-168.4	135.1	0	0	0	112	W5 M306 V307 D308 D313 C314	W5-L310 HydrophobicContact CH2-CB 4.17Å; W5-L310 HydrophobicContact CH2-CD1 4.44Å; W5-L310 HydrophobicContact CZ2-CB 4.29Å; M306-L310 WeakPolarHBondContact O-CB 3.23Å; M306-L310 PolarHBondContact O-N 3.06Å; V307-L310 WeakPolarHBondContact O-CB 3.44Å; V307-L310 PolarHBondContact O-N 3.41Å; V307-L310 VanDerWaalsContact O-N 3.1Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 3.39Å; L310-D313 PolarHBondContact O-N 3.15Å; L310-C314 WeakPolarHBondContact O-CB 3.27Å; L310-C314 PolarHBondContact O-N 3.35Å; L310-C314 PolarHBondContact O-SG 3.36Å
311	I	53.7	Low	55.4	Low	82 Å²	82	69.2 Å²	69.2	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-44.8	174	-66.8	167.8	0	0	0	110.3	V307 D308 D313 C314 N315	V307-I311 HydrophobicContact CG1-CD1 3.85Å; V307-I311 HydrophobicContact CG1-CG1 4.44Å; V307-I311 WeakPolarHBondContact O-CG1 3.18Å; V307-I311 PolarHBondContact O-N 2.98Å; D308-I311 PolarHBondContact O-N 3.49Å; I311-D313 VanDerWaalsContact C-N 3.31Å; I311-D313 PolarHBondContact O-N 2.71Å; I311-C314 PolarHBondContact O-N 2.61Å; I311-N315 WeakPolarHBondContact CG2-ND2 3.43Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 3.15Å; I311-N315 PolarHBondContact O-ND2 3.4Å
312	S	61.4	Low	54.7	Low	60 Å²	60	68.2 Å²	68.2	42%	0.42	42%	0.415	S	S	.	.	H	α-helix	trans	-58.2	-42.1	176.5	178.9	0	0	0	0	112.1	D308 K309 C316	D308-S312 WeakPolarHBondContact O-CB 3.16Å; D308-S312 PolarHBondContact O-N 3.06Å; K309-S312 PolarHBondContact O-N 3.27Å; S312-C316 PolarHBondContact O-N 3.4Å; S312-C316 PolarHBondContact O-SG 3.28Å
313	D	53.8	Low	53.9	Low	57 Å²	57	72.2 Å²	72.2	31%	0.305	44%	0.44	S	S	.	.	H	α-helix	trans	-72.1	-31.1	178.5	-72.2	-5.8	0	0	0	112.1	W5 K309 L310 I311	W5-D313 PolarHBondContact NE1-OD2 2.68Å; K309-D313 WeakPolarHBondContact CE-OD1 3.41Å; K309-D313 IonicContact NZ-OD1 3.71Å; K309-D313 PolarHBondContact NZ-OD1 2.98Å; K309-D313 IonicContact NZ-OD2 3.49Å; K309-D313 PolarHBondContact O-N 3.49Å; L310-D313 PolarHBondContact O-N 3.15Å; I311-D313 VanDerWaalsContact C-N 3.31Å; I311-D313 PolarHBondContact O-N 2.71Å
314	C	46.3	Very low	53.3	Low	82 Å²	82	76.4 Å²	76.4	55%	0.554	47%	0.466	S	S	*	.	H	α-helix	trans	-74.4	-28.5	175.6	-73.6	0	0	0	0	113.6	L310 I311	L310-C314 WeakPolarHBondContact O-CB 3.27Å; L310-C314 PolarHBondContact O-N 3.35Å; L310-C314 PolarHBondContact O-SG 3.36Å; I311-C314 PolarHBondContact O-N 2.61Å
315	N	42.3	Very low	52.7	Low	124 Å²	124	79.9 Å²	79.9	66%	0.663	48%	0.479	S	S	*	.	S	Bend	trans	-91.7	-3.6	-179.6	-71.1	-22.7	0	0	0	113.6	I311	I311-N315 WeakPolarHBondContact CG2-ND2 3.43Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 3.15Å; I311-N315 PolarHBondContact O-ND2 3.4Å
316	C	34	Very low	51.3	Low	79 Å²	79	81.6 Å²	81.6	53%	0.534	50%	0.495	S	S	.	.	S	Bend	trans	-76.5	122.8	169.5	-77.8	0	0	0	0	109.3	S312 S318	S312-C316 PolarHBondContact O-N 3.4Å; S312-C316 PolarHBondContact O-SG 3.28Å; C316-S318 PolarHBondContact O-N 3.27Å
317	P	32.1	Very low	50.3	Low	126 Å²	126	88.1 Å²	88.1	82%	0.818	54%	0.535	S	S	*	.			trans	-62.1	125.6	168.9	25.4	-30	0	0	0	108.5
318	S	30.8	Very low	49.2	Very low	190 Å²	190	90.5 Å²	90.5	100%	1.329	55%	0.549	S	S	*	.			trans	-57.6	0	172.8	50.8	0	0	0	0	112.4	C316	C316-S318 PolarHBondContact O-N 3.27Å

Retrieved 318 of 318 residues in 378.7 ms (Link to these results)

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