A0A3Q0KCJ3_SCHMA Loading...

Interleukin-18 receptor 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	31.6	Very low	57.5	Low	232 Å²	232	124.5 Å²	124.5	100%	1.215	60%	0.6	S	S	*	*				0	94.1	0	-81	113.8	0	0	0	109.1
2	L	29	Very low	59.3	Low	147 Å²	147	120 Å²	120	77%	0.77	59%	0.586	S	S	*	*			trans	-90.9	107.5	171.1	-80.9	125.3	0	0	0	108.2	T4	L2-T4 PolarHBondContact O-N 3.43Å
3	R	34.5	Very low	60.3	Low	235 Å²	235	112.5 Å²	112.5	89%	0.887	55%	0.548	S	S	*	.			trans	-90	93.6	166.1	-147.8	-179.4	-164.7	-172	4	106.2	E5	R3-E5 PolarHBondContact O-N 3.09Å
4	T	43.8	Very low	61.1	Low	124 Å²	124	115.9 Å²	115.9	76%	0.761	55%	0.553	S	S	*	*			trans	-66.4	100.8	173.2	25.4	0	0	0	0	108.7	L2 Q6	L2-T4 PolarHBondContact O-N 3.43Å; T4-Q6 PolarHBondContact O-N 3.02Å
5	E	56.5	Low	61.4	Low	101 Å²	101	109.3 Å²	109.3	47%	0.472	52%	0.523	S	S	.	.			trans	-63.8	114.1	171.5	-72.4	167	-177.9	0	0	108.6	R3 K41	R3-E5 PolarHBondContact O-N 3.09Å; E5-K41 IonicContact OE1-NZ 3.11Å; E5-K41 WeakPolarHBondContact OE2-CE 3.21Å; E5-K41 IonicContact OE2-NZ 2.83Å; E5-K41 PolarHBondContact OE2-NZ 2.88Å
6	Q	62.2	Low	61.4	Low	174 Å²	174	104.4 Å²	104.4	81%	0.813	51%	0.51	S	S	*	.			trans	-70.1	140.5	173.6	-74.9	-177.5	-37.1	0	0	109.7	T4	T4-Q6 PolarHBondContact O-N 3.02Å
7	P	69.3	Low	60.5	Low	53 Å²	53	108.7 Å²	108.7	34%	0.344	54%	0.535	S	S	.	.			trans	-63.7	145.3	168.4	29.1	-33.7	0	0	0	109.8	G9 Y27	P7-G9 VanDerWaalsContact C-N 3.26Å; P7-Y27 VanDerWaalsContact CA-CE1 3.49Å; P7-Y27 HydrophobicContact CB-CD1 4.23Å; P7-Y27 HydrophobicContact CB-CE1 3.74Å
8	E	73.6	Confident	60.1	Low	81 Å²	81	112.1 Å²	112.1	38%	0.379	55%	0.549	S	S	.	.	S	Bend	trans	-70.4	-30.2	172.4	-178.3	176.6	-175.6	0	0	110.9	W26 R28	E8-W26 PolarHBondContact N-O 3.18Å; E8-R28 IonicContact OE1-CZ 2.59Å; E8-R28 VanDerWaalsContact OE1-CZ 3.22Å; E8-R28 IonicContact OE1-NE 3.91Å; E8-R28 PolarHBondContact OE1-NE 2.99Å; E8-R28 IonicContact OE1-NH2 2.79Å; E8-R28 PolarHBondContact OE1-NH2 2.89Å; E8-R28 WeakPolarHBondContact OE2-CB 3.47Å; E8-R28 IonicContact OE2-CZ 3.51Å; E8-R28 IonicContact OE2-NE 2.59Å; E8-R28 PolarHBondContact OE2-NE 3Å; E8-R28 IonicContact OE2-NH2 2.86Å
9	G	75.2	Confident	60.3	Low	15 Å²	15	107.5 Å²	107.5	16%	0.155	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	173.7	168.8	0	0	0	0	0	112.5	P7 W26	P7-G9 VanDerWaalsContact C-N 3.26Å; G9-W26 VanDerWaalsContact CA-CE2 3.46Å; G9-W26 VanDerWaalsContact CA-CZ2 3.44Å; G9-W26 PolarHBondContact O-N 2.92Å; G9-W26 VanDerWaalsContact O-N 3.07Å
10	Y	80.3	Confident	60.6	Low	162 Å²	162	106.4 Å²	106.4	64%	0.635	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.8	176.3	73.3	-82.6	0	0	0	110.5	F24	Y10-F24 CarbonylContact C-O 3.58Å; Y10-F24 WeakPolarHBondContact CA-O 3.3Å
11	R	76.5	Confident	61.4	Low	46 Å²	46	108.6 Å²	108.6	17%	0.174	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	135.4	173.8	-179.4	154.1	157.2	175.2	-10	112.4	E13 N23 F24 W26 T61 S64 D65	R11-E13 HydrophobicContact CG-CG 4.35Å; R11-E13 IonicContact CZ-OE1 3.7Å; R11-E13 VanDerWaalsContact CZ-OE1 3.28Å; R11-E13 IonicContact NE-OE1 2.97Å; R11-E13 PolarHBondContact NE-OE1 3.31Å; R11-E13 IonicContact NH2-OE1 2.64Å; R11-E13 PolarHBondContact NH2-OE1 3.44Å; R11-N23 PolarHBondContact O-OD1 3.19Å; R11-F24 PolarHBondContact N-O 3.38Å; R11-F24 PolarHBondContact O-N 3.17Å; R11-W26 HydrophobicContact CB-CH2 4.29Å; R11-W26 HydrophobicContact CB-CZ3 4.13Å; R11-T61 HydrophobicContact CB-CG2 3.83Å; R11-T61 VanDerWaalsContact CD-OG1 3.29Å; R11-T61 WeakPolarHBondContact CD-OG1 3.41Å; R11-T61 HydrophobicContact CG-CG2 4.32Å; R11-T61 PolarHBondContact NE-OG1 3.37Å; R11-S64 PolarHBondContact NH1-OG 3.19Å; R11-S64 PolarHBondContact NH2-OG 3.16Å; R11-D65 IonicContact NH1-OD1 3.19Å; R11-D65 PolarHBondContact NH1-OD1 3.41Å; R11-D65 IonicContact NH1-OD2 2.72Å
12	V	79.5	Confident	63.7	Low	70 Å²	70	97.6 Å²	97.6	42%	0.424	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.7	176.1	-174.7	0	0	0	0	109.9	R21 V22 N23 V142	V12-R21 HydrophobicContact CG1-CB 4.01Å; V12-R21 HydrophobicContact CG1-CG 4.45Å; V12-V22 CarbonylContact C-O 3.46Å; V12-V22 WeakPolarHBondContact CA-O 3.49Å; V12-N23 HydrophobicContact CG2-CB 4.13Å; V12-V142 HydrophobicContact CG1-CG2 4.25Å; V12-V142 HydrophobicContact CG2-CG2 4.4Å
13	E	72.2	Confident	66.4	Low	22 Å²	22	92 Å²	92	10%	0.103	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.7	176.2	-79.2	-69.9	164.6	0	0	111	R11 V22 F24 Y57	R11-E13 HydrophobicContact CG-CG 4.35Å; R11-E13 IonicContact CZ-OE1 3.7Å; R11-E13 VanDerWaalsContact CZ-OE1 3.28Å; R11-E13 IonicContact NE-OE1 2.97Å; R11-E13 PolarHBondContact NE-OE1 3.31Å; R11-E13 IonicContact NH2-OE1 2.64Å; R11-E13 PolarHBondContact NH2-OE1 3.44Å; E13-V22 PolarHBondContact N-O 3.29Å; E13-V22 PolarHBondContact O-N 3Å; E13-F24 HydrophobicContact CB-CD2 4.4Å; E13-F24 HydrophobicContact CB-CE2 4.11Å; E13-Y57 HydrophobicContact CB-CD1 4.37Å
14	R	71.6	Confident	68.7	Low	161 Å²	161	80.8 Å²	80.8	61%	0.608	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.3	173.9	-69.8	-165	-169	-161.6	7.8	110.3	R20 Y57	R14-R20 CarbonylContact C-O 3.42Å; R14-R20 WeakPolarHBondContact CA-O 3.29Å; R14-Y57 WeakPolarHBondContact O-CE1 3.45Å
15	V	65.5	Low	70.7	Confident	17 Å²	17	75.5 Å²	75.5	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.3	-171.1	177.1	0	0	0	0	111.6	R20 V22 F24 D54 Y57	V15-R20 PolarHBondContact N-O 2.89Å; V15-R20 PolarHBondContact O-N 2.97Å; V15-V22 HydrophobicContact CB-CB 4.25Å; V15-V22 HydrophobicContact CB-CG2 3.71Å; V15-V22 HydrophobicContact CG1-CG2 4.41Å; V15-V22 HydrophobicContact CG2-CB 3.6Å; V15-V22 HydrophobicContact CG2-CG1 4.17Å; V15-V22 HydrophobicContact CG2-CG2 3.64Å; V15-F24 HydrophobicContact CG2-CE2 4.1Å; V15-F24 HydrophobicContact CG2-CZ 4.23Å; V15-D54 WeakPolarHBondContact CG1-OD1 3.45Å; V15-Y57 HydrophobicContact CB-CD2 4.27Å; V15-Y57 HydrophobicContact CB-CE2 4.07Å; V15-Y57 HydrophobicContact CG1-CD2 4.05Å; V15-Y57 HydrophobicContact CG1-CE2 3.7Å; V15-Y57 HydrophobicContact CG2-CD1 4.28Å; V15-Y57 HydrophobicContact CG2-CD2 3.7Å; V15-Y57 HydrophobicContact CG2-CE2 4.01Å; V15-Y57 HydrophobicContact CG2-CG 3.84Å
16	G	60.2	Low	71.9	Confident	31 Å²	31	71.1 Å²	71.1	32%	0.32	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	174.5	178	0	0	0	0	0	114.8	H18 G19 Y57	G16-H18 PolarHBondContact O-N 3.36Å; G16-G19 PolarHBondContact O-N 3.05Å; G16-G19 VanDerWaalsContact O-N 3.07Å; G16-Y57 PolarHBondContact N-OH 2.8Å
17	L	46.8	Very low	72.6	Confident	177 Å²	177	63.8 Å²	63.8	93%	0.927	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28	-179.4	-85	91	0	0	0	113.6	G19	L17-G19 VanDerWaalsContact C-N 3.3Å
18	H	54.2	Low	72.6	Confident	170 Å²	170	63.9 Å²	63.9	79%	0.787	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	1.6	-179.9	-55	-62.5	0	0	0	113.5	G16 R20	G16-H18 PolarHBondContact O-N 3.36Å; H18-R20 VanDerWaalsContact C-N 3.3Å; H18-R20 PolarHBondContact O-N 3.32Å
19	G	63.6	Low	71.9	Confident	24 Å²	24	66.8 Å²	66.8	25%	0.247	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	30.6	174.6	0	0	0	0	0	115.1	G16 L17 R21	G16-G19 PolarHBondContact O-N 3.05Å; G16-G19 VanDerWaalsContact O-N 3.07Å; L17-G19 VanDerWaalsContact C-N 3.3Å; G19-R21 PolarHBondContact O-N 2.89Å
20	R	66.4	Low	71.2	Confident	86 Å²	86	67.6 Å²	67.6	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.9	-179.4	-68.9	-176.2	177.7	-149.6	-5.1	110.1	R14 V15 H18 V22 E141 C159 N160	R14-R20 CarbonylContact C-O 3.42Å; R14-R20 WeakPolarHBondContact CA-O 3.29Å; V15-R20 PolarHBondContact N-O 2.89Å; V15-R20 PolarHBondContact O-N 2.97Å; H18-R20 VanDerWaalsContact C-N 3.3Å; H18-R20 PolarHBondContact O-N 3.32Å; R20-V22 PolarHBondContact O-N 2.94Å; R20-E141 IonicContact NH1-OE1 2.65Å; R20-E141 PolarHBondContact NH1-OE1 3.09Å; R20-E141 IonicContact NH1-OE2 3.7Å; R20-C159 PolarHBondContact NH2-O 2.73Å; R20-N160 PolarHBondContact NH1-OD1 3.02Å; R20-N160 PolarHBondContact NH2-OD1 3.11Å
21	R	77.1	Confident	70.3	Confident	152 Å²	152	65.6 Å²	65.6	57%	0.574	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	118	176.8	-67.7	-172.9	-174.3	-167.5	3.1	109.6	V12 G19 V142	V12-R21 HydrophobicContact CG1-CB 4.01Å; V12-R21 HydrophobicContact CG1-CG 4.45Å; G19-R21 PolarHBondContact O-N 2.89Å; R21-V142 HydrophobicContact CB-CB 4.1Å; R21-V142 HydrophobicContact CB-CG2 4.48Å; R21-V142 PolarHBondContact O-N 3.37Å
22	V	79.2	Confident	69.5	Low	2 Å²	2	64.2 Å²	64.2	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	-178.3	172.5	0	0	0	0	108	V12 E13 V15 R20 F24 K139	V12-V22 CarbonylContact C-O 3.46Å; V12-V22 WeakPolarHBondContact CA-O 3.49Å; E13-V22 PolarHBondContact N-O 3.29Å; E13-V22 PolarHBondContact O-N 3Å; V15-V22 HydrophobicContact CB-CB 4.25Å; V15-V22 HydrophobicContact CB-CG2 3.71Å; V15-V22 HydrophobicContact CG1-CG2 4.41Å; V15-V22 HydrophobicContact CG2-CB 3.6Å; V15-V22 HydrophobicContact CG2-CG1 4.17Å; V15-V22 HydrophobicContact CG2-CG2 3.64Å; R20-V22 PolarHBondContact O-N 2.94Å; V22-F24 HydrophobicContact CB-CE2 4.31Å; V22-F24 HydrophobicContact CG1-CD2 4.2Å; V22-F24 HydrophobicContact CG1-CE1 4.41Å; V22-F24 HydrophobicContact CG1-CE2 3.75Å; V22-F24 HydrophobicContact CG1-CZ 3.87Å; V22-K139 HydrophobicContact CG1-CD 3.72Å; V22-K139 HydrophobicContact CG1-CG 3.38Å
23	N	85.9	Confident	68.7	Low	29 Å²	29	70.7 Å²	70.7	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.2	175.1	-175.4	29.1	0	0	0	109.7	R11 V12 K139 S140 V142	R11-N23 PolarHBondContact O-OD1 3.19Å; V12-N23 HydrophobicContact CG2-CB 4.13Å; N23-K139 WeakPolarHBondContact O-CA 3.28Å; N23-S140 PolarHBondContact N-O 3.39Å; N23-S140 PolarHBondContact O-N 2.98Å; N23-S140 PolarHBondContact O-OG 2.93Å; N23-V142 HydrophobicContact CB-CG2 3.73Å
24	F	84.1	Confident	68.1	Low	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.6	170.2	-65	-86.6	0	0	0	108.6	Y10 R11 E13 V15 V22 P50 D54 F58 V137 C138 K139	Y10-F24 CarbonylContact C-O 3.58Å; Y10-F24 WeakPolarHBondContact CA-O 3.3Å; R11-F24 PolarHBondContact N-O 3.38Å; R11-F24 PolarHBondContact O-N 3.17Å; E13-F24 HydrophobicContact CB-CD2 4.4Å; E13-F24 HydrophobicContact CB-CE2 4.11Å; V15-F24 HydrophobicContact CG2-CE2 4.1Å; V15-F24 HydrophobicContact CG2-CZ 4.23Å; V22-F24 HydrophobicContact CB-CE2 4.31Å; V22-F24 HydrophobicContact CG1-CD2 4.2Å; V22-F24 HydrophobicContact CG1-CE1 4.41Å; V22-F24 HydrophobicContact CG1-CE2 3.75Å; V22-F24 HydrophobicContact CG1-CZ 3.87Å; F24-P50 HydrophobicContact CD1-CB 4.37Å; F24-P50 HydrophobicContact CE1-CB 3.97Å; F24-D54 HydrophobicContact CE1-CB 3.88Å; F24-D54 HydrophobicContact CZ-CB 3.91Å; F24-F58 HydrophobicContact CB-CD2 4.13Å; F24-F58 HydrophobicContact CD1-CB 4.33Å; F24-F58 HydrophobicContact CD1-CD2 4.31Å; F24-F58 HydrophobicContact CE1-CB 4.41Å; F24-F58 HydrophobicContact CG-CD2 4.34Å; F24-V137 HydrophobicContact CD1-CG1 4.43Å; F24-C138 CarbonylContact C-O 3.56Å; F24-C138 WeakPolarHBondContact CA-O 3.42Å; F24-K139 HydrophobicContact CE1-CD 4.35Å; F24-K139 HydrophobicContact CE1-CG 4.43Å
25	T	85.2	Confident	67.9	Low	12 Å²	12	68.3 Å²	68.3	7%	0.074	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.5	173.1	54.9	0	0	0	0	109.4	V137 C138	T25-V137 WeakPolarHBondContact O-CA 3.42Å; T25-C138 PolarHBondContact N-O 3.47Å; T25-C138 PolarHBondContact O-N 3.28Å
26	W	81.4	Confident	67.7	Low	9 Å²	9	70.9 Å²	70.9	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.6	178.3	59.8	91.2	0	0	0	113.7	E8 G9 R11 F58 T61 I67 L135 L136 V137	E8-W26 PolarHBondContact N-O 3.18Å; G9-W26 VanDerWaalsContact CA-CE2 3.46Å; G9-W26 VanDerWaalsContact CA-CZ2 3.44Å; G9-W26 PolarHBondContact O-N 2.92Å; G9-W26 VanDerWaalsContact O-N 3.07Å; R11-W26 HydrophobicContact CB-CH2 4.29Å; R11-W26 HydrophobicContact CB-CZ3 4.13Å; W26-F58 HydrophobicContact CD2-CE2 4.39Å; W26-F58 AromaticContact CE3-CE2 3.91Å; W26-F58 HydrophobicContact CE3-CE2 3.91Å; W26-T61 HydrophobicContact CH2-CG2 3.54Å; W26-T61 HydrophobicContact CZ2-CG2 4.46Å; W26-T61 HydrophobicContact CZ3-CG2 3.59Å; W26-I67 HydrophobicContact CH2-CD1 4.02Å; W26-I67 HydrophobicContact CZ2-CD1 3.36Å; W26-I67 HydrophobicContact CZ2-CG1 4.39Å; W26-L135 HydrophobicContact CB-CD1 4.12Å; W26-L135 HydrophobicContact CB-CG 4.34Å; W26-L135 HydrophobicContact CG-CD1 4.47Å; W26-L136 CarbonylContact C-O 3.53Å; W26-L136 WeakPolarHBondContact CA-O 3.42Å; W26-V137 HydrophobicContact CB-CG2 4.43Å
27	Y	77.8	Confident	68.1	Low	21 Å²	21	73.8 Å²	73.8	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	119	-174.2	-51.5	-100.9	0	0	0	109.3	P7 L45 L136	P7-Y27 VanDerWaalsContact CA-CE1 3.49Å; P7-Y27 HydrophobicContact CB-CD1 4.23Å; P7-Y27 HydrophobicContact CB-CE1 3.74Å; Y27-L45 HydrophobicContact CD2-CD1 4.46Å; Y27-L45 HydrophobicContact CE1-CD1 4.37Å; Y27-L45 HydrophobicContact CE2-CD1 3.71Å; Y27-L136 HydrophobicContact CD2-CD2 4.2Å; Y27-L136 HydrophobicContact CD2-CG 4.48Å; Y27-L136 PolarHBondContact N-O 3.42Å; Y27-L136 PolarHBondContact O-N 3.5Å
28	R	67.6	Low	69.3	Low	54 Å²	54	65.4 Å²	65.4	20%	0.204	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	161.4	172.3	-171.4	-162.3	-59	-147.6	2.2	110.4	E8 V30 S70 I71 T74 L135	E8-R28 IonicContact OE1-CZ 2.59Å; E8-R28 VanDerWaalsContact OE1-CZ 3.22Å; E8-R28 IonicContact OE1-NE 3.91Å; E8-R28 PolarHBondContact OE1-NE 2.99Å; E8-R28 IonicContact OE1-NH2 2.79Å; E8-R28 PolarHBondContact OE1-NH2 2.89Å; E8-R28 WeakPolarHBondContact OE2-CB 3.47Å; E8-R28 IonicContact OE2-CZ 3.51Å; E8-R28 IonicContact OE2-NE 2.59Å; E8-R28 PolarHBondContact OE2-NE 3Å; E8-R28 IonicContact OE2-NH2 2.86Å; R28-V30 PolarHBondContact O-N 3.41Å; R28-V30 VanDerWaalsContact O-N 3.11Å; R28-S70 PolarHBondContact NH1-O 3.48Å; R28-S70 PolarHBondContact NH2-O 2.93Å; R28-S70 PolarHBondContact NH2-OG 3.28Å; R28-I71 VanDerWaalsContact NH2-CG1 3.33Å; R28-T74 PolarHBondContact NH1-OG1 2.97Å; R28-L135 HydrophobicContact CB-CD1 4.39Å
29	N	59.4	Low	70.2	Confident	142 Å²	142	58.4 Å²	58.4	76%	0.759	28%	0.284	S	S	*	.	S	Bend	trans	62	13	177.1	-62	-17.6	0	0	0	115.5	T31	N29-T31 PolarHBondContact O-N 3.25Å
30	V	60.2	Low	70.8	Confident	32 Å²	32	62.1 Å²	62.1	19%	0.194	30%	0.298	C	S	.	.			trans	-74.2	123.3	171	-160.6	0	0	0	0	108.1	R28 I32 L136	R28-V30 PolarHBondContact O-N 3.41Å; R28-V30 VanDerWaalsContact O-N 3.11Å; V30-I32 HydrophobicContact CB-CD1 3.84Å; V30-I32 HydrophobicContact CB-CG1 3.8Å; V30-I32 HydrophobicContact CG1-CD1 3.71Å; V30-I32 HydrophobicContact CG1-CG1 3.53Å; V30-I32 PolarHBondContact O-N 3.23Å; V30-L136 HydrophobicContact CG2-CB 4.49Å
31	T	61	Low	71.6	Confident	121 Å²	121	60.5 Å²	60.5	74%	0.742	29%	0.293	S	S	*	.			trans	-77.1	65	-175.3	51.9	0	0	0	0	112.4	N29	N29-T31 PolarHBondContact O-N 3.25Å
32	I	61.7	Low	71.9	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.082	27%	0.266	C	S	.	.			trans	-95.5	104	-173.5	-55.2	-179.7	0	0	0	110	V30 S34 Q37 A38 Y86 L136	V30-I32 HydrophobicContact CB-CD1 3.84Å; V30-I32 HydrophobicContact CB-CG1 3.8Å; V30-I32 HydrophobicContact CG1-CD1 3.71Å; V30-I32 HydrophobicContact CG1-CG1 3.53Å; V30-I32 PolarHBondContact O-N 3.23Å; I32-S34 VanDerWaalsContact CG2-O 3.28Å; I32-S34 WeakPolarHBondContact CG2-O 3.45Å; I32-Q37 HydrophobicContact CG2-CB 3.84Å; I32-A38 HydrophobicContact CG2-CB 3.77Å; I32-Y86 HydrophobicContact CB-CE2 4.1Å; I32-Y86 HydrophobicContact CG2-CD2 4.09Å; I32-Y86 HydrophobicContact CG2-CE2 3.45Å; I32-Y86 VanDerWaalsContact CG2-CE2 3.45Å; I32-Y86 PolarHBondContact O-OH 2.8Å; I32-Y86 VanDerWaalsContact O-OH 3.08Å; I32-L136 HydrophobicContact CD1-CB 3.72Å; I32-L136 HydrophobicContact CD1-CD1 3.71Å; I32-L136 HydrophobicContact CD1-CD2 3.72Å; I32-L136 HydrophobicContact CD1-CG 3.9Å
33	R	61.1	Low	72.1	Confident	207 Å²	207	56.8 Å²	56.8	78%	0.781	29%	0.291	S	S	*	.			trans	-93.2	-1.1	-175.9	-60.7	-177.1	179.4	177	-0.6	113.7
34	S	61.3	Low	72	Confident	43 Å²	43	63.4 Å²	63.4	30%	0.301	32%	0.315	S	S	.	.	S	Bend	trans	-155.7	155.6	175	72.4	0	0	0	0	112.7	I32 V36 Q37 A38 Y86	I32-S34 VanDerWaalsContact CG2-O 3.28Å; I32-S34 WeakPolarHBondContact CG2-O 3.45Å; S34-V36 PolarHBondContact O-N 2.85Å; S34-Q37 WeakPolarHBondContact O-CB 3.2Å; S34-Q37 PolarHBondContact O-N 2.66Å; S34-Q37 VanDerWaalsContact O-N 3.08Å; S34-Q37 PolarHBondContact OG-N 3.29Å; S34-A38 PolarHBondContact O-N 3.47Å; S34-Y86 PolarHBondContact N-OH 3.39Å
35	W	65.4	Low	71.8	Confident	89 Å²	89	65.9 Å²	65.9	34%	0.337	33%	0.328	S	S	.	.	H	α-helix	trans	-51.2	-37.1	169.8	-177.8	96	0	0	0	113.1	A38 A39 L49 Y86 L87	W35-A38 WeakPolarHBondContact O-CB 3.48Å; W35-A38 PolarHBondContact O-N 3.4Å; W35-A38 VanDerWaalsContact O-N 3.15Å; W35-A39 HydrophobicContact CE3-CB 4.16Å; W35-A39 HydrophobicContact CH2-CB 3.95Å; W35-A39 HydrophobicContact CZ2-CB 4.37Å; W35-A39 HydrophobicContact CZ3-CB 3.83Å; W35-A39 WeakPolarHBondContact O-CB 3.47Å; W35-A39 PolarHBondContact O-N 3.48Å; W35-L49 HydrophobicContact CD2-CD1 4.39Å; W35-L49 HydrophobicContact CZ2-CD1 4.08Å; W35-Y86 HydrophobicContact CB-CD1 3.85Å; W35-Y86 HydrophobicContact CB-CE1 4.17Å; W35-Y86 HydrophobicContact CG-CD1 4.4Å; W35-Y86 VanDerWaalsContact N-CE1 3.33Å; W35-L87 PolarHBondContact NE1-O 2.9Å
36	V	61.5	Low	71.7	Confident	72 Å²	72	72.8 Å²	72.8	44%	0.436	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-45.4	179.1	-177.8	0	0	0	0	110.1	S34 A38 A39 D40	S34-V36 PolarHBondContact O-N 2.85Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 2.94Å; V36-A39 PolarHBondContact O-N 3.44Å; V36-D40 WeakPolarHBondContact O-CB 3.42Å; V36-D40 PolarHBondContact O-N 3.49Å
37	Q	68.4	Low	71.8	Confident	92 Å²	92	72.8 Å²	72.8	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-32.7	174	-69.9	173.5	-6	0	0	112.2	I32 S34 K41	I32-Q37 HydrophobicContact CG2-CB 3.84Å; S34-Q37 WeakPolarHBondContact O-CB 3.2Å; S34-Q37 PolarHBondContact O-N 2.66Å; S34-Q37 VanDerWaalsContact O-N 3.08Å; S34-Q37 PolarHBondContact OG-N 3.29Å; Q37-K41 WeakPolarHBondContact O-CB 3.3Å; Q37-K41 PolarHBondContact O-N 3.21Å
38	A	72.6	Confident	72.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-47.5	175.2	0	0	0	0	0	111.9	I32 S34 W35 V36 K41 C42 L49 Y86 L136	I32-A38 HydrophobicContact CG2-CB 3.77Å; S34-A38 PolarHBondContact O-N 3.47Å; W35-A38 WeakPolarHBondContact O-CB 3.48Å; W35-A38 PolarHBondContact O-N 3.4Å; W35-A38 VanDerWaalsContact O-N 3.15Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 2.94Å; A38-K41 PolarHBondContact O-N 3.4Å; A38-C42 PolarHBondContact O-N 3.4Å; A38-L49 HydrophobicContact CB-CD1 4.21Å; A38-L49 HydrophobicContact CB-CD2 3.95Å; A38-Y86 HydrophobicContact CB-CD2 3.38Å; A38-Y86 HydrophobicContact CB-CE2 4.06Å; A38-Y86 HydrophobicContact CB-CG 3.69Å; A38-L136 HydrophobicContact CB-CD1 3.92Å
39	A	74.1	Confident	72.7	Confident	24 Å²	24	74.4 Å²	74.4	20%	0.198	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-47.1	178.4	0	0	0	0	0	111.5	W35 V36 K41 C42 S43 L49	W35-A39 HydrophobicContact CE3-CB 4.16Å; W35-A39 HydrophobicContact CH2-CB 3.95Å; W35-A39 HydrophobicContact CZ2-CB 4.37Å; W35-A39 HydrophobicContact CZ3-CB 3.83Å; W35-A39 WeakPolarHBondContact O-CB 3.47Å; W35-A39 PolarHBondContact O-N 3.48Å; V36-A39 PolarHBondContact O-N 3.44Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 2.91Å; A39-C42 PolarHBondContact O-N 3.38Å; A39-S43 VanDerWaalsContact O-CB 3.3Å; A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.37Å; A39-L49 HydrophobicContact CB-CD1 3.93Å
40	D	76.5	Confident	73.4	Confident	101 Å²	101	67.6 Å²	67.6	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-40.8	175.6	-67.7	-19.2	0	0	0	111.1	V36 S43 Y44	V36-D40 WeakPolarHBondContact O-CB 3.42Å; V36-D40 PolarHBondContact O-N 3.49Å; D40-S43 PolarHBondContact O-N 2.95Å; D40-Y44 WeakPolarHBondContact O-CB 3.17Å; D40-Y44 PolarHBondContact O-N 2.88Å
41	K	82	Confident	73.8	Confident	52 Å²	52	70.4 Å²	70.4	23%	0.226	35%	0.352	C	S	.	.	H	α-helix	trans	-67.8	-45.1	178.4	-172.4	68.9	172.2	-166	0	112.3	E5 Q37 A38 A39 Y44 L45 L136	E5-K41 IonicContact OE1-NZ 3.11Å; E5-K41 WeakPolarHBondContact OE2-CE 3.21Å; E5-K41 IonicContact OE2-NZ 2.83Å; E5-K41 PolarHBondContact OE2-NZ 2.88Å; Q37-K41 WeakPolarHBondContact O-CB 3.3Å; Q37-K41 PolarHBondContact O-N 3.21Å; A38-K41 PolarHBondContact O-N 3.4Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 2.91Å; K41-Y44 PolarHBondContact O-N 3.25Å; K41-L45 HydrophobicContact CG-CD1 4.42Å; K41-L45 WeakPolarHBondContact O-CD1 3.44Å; K41-L45 VanDerWaalsContact O-CG 3.3Å; K41-L45 WeakPolarHBondContact O-CG 3.33Å; K41-L45 PolarHBondContact O-N 3.41Å; K41-L136 HydrophobicContact CB-CD2 4.1Å; K41-L136 HydrophobicContact CG-CD2 3.58Å
42	C	84.6	Confident	73.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-40.9	173.5	-69	0	0	0	0	111.4	A38 A39 Y44 L45 N46 S47 C138	A38-C42 PolarHBondContact O-N 3.4Å; A39-C42 PolarHBondContact O-N 3.38Å; C42-Y44 VanDerWaalsContact C-N 3.3Å; C42-Y44 PolarHBondContact O-N 3.35Å; C42-L45 CarbonylContact O-C 3.33Å; C42-L45 WeakPolarHBondContact O-CA 3.36Å; C42-L45 WeakPolarHBondContact O-CB 3.37Å; C42-L45 PolarHBondContact O-N 2.96Å; C42-N46 PolarHBondContact O-N 3Å; C42-S47 CarbonylContact C-O 3.54Å; C42-S47 CarbonylContact O-C 3.51Å; C42-S47 WeakPolarHBondContact O-CA 3.26Å; C42-S47 PolarHBondContact O-N 3.33Å; C42-C138 WeakPolarHBondContact CA-SG 3.28Å; C42-C138 HydrophobicContact CB-CB 3.88Å; C42-C138 WeakPolarHBondContact CB-SG 3.49Å; C42-C138 VanDerWaalsContact SG-CA 3.53Å; C42-C138 WeakPolarHBondContact SG-CB 3.19Å; C42-C138 CovalentContact SG-SG 2.05Å; C42-C138 PolarHBondContact SG-SG 3.38Å
43	S	82.5	Confident	73.6	Confident	76 Å²	76	70.6 Å²	70.6	53%	0.531	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-37	177.3	-172.5	0	0	0	0	112.2	A39 D40 L45 N46 S47	A39-S43 VanDerWaalsContact O-CB 3.3Å; A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.37Å; D40-S43 PolarHBondContact O-N 2.95Å; S43-L45 PolarHBondContact O-N 3.16Å; S43-N46 PolarHBondContact O-N 2.92Å; S43-S47 WeakPolarHBondContact CA-O 3.43Å; S43-S47 PolarHBondContact N-O 3.43Å
44	Y	82.8	Confident	73.8	Confident	169 Å²	169	61.1 Å²	61.1	66%	0.663	32%	0.316	S	S	*	.	H	α-helix	trans	-65.1	-26	172.1	-178.4	-95.6	0	0	0	112.8	D40 K41 C42 N46	D40-Y44 WeakPolarHBondContact O-CB 3.17Å; D40-Y44 PolarHBondContact O-N 2.88Å; K41-Y44 PolarHBondContact O-N 3.25Å; C42-Y44 VanDerWaalsContact C-N 3.3Å; C42-Y44 PolarHBondContact O-N 3.35Å; Y44-N46 VanDerWaalsContact C-N 3.31Å
45	L	81.1	Confident	73.8	Confident	52 Å²	52	60.1 Å²	60.1	27%	0.272	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	20.3	176	-63.5	165.8	0	0	0	112.7	Y27 K41 C42 S43 S47	Y27-L45 HydrophobicContact CD2-CD1 4.46Å; Y27-L45 HydrophobicContact CE1-CD1 4.37Å; Y27-L45 HydrophobicContact CE2-CD1 3.71Å; K41-L45 HydrophobicContact CG-CD1 4.42Å; K41-L45 WeakPolarHBondContact O-CD1 3.44Å; K41-L45 VanDerWaalsContact O-CG 3.3Å; K41-L45 WeakPolarHBondContact O-CG 3.33Å; K41-L45 PolarHBondContact O-N 3.41Å; C42-L45 CarbonylContact O-C 3.33Å; C42-L45 WeakPolarHBondContact O-CA 3.36Å; C42-L45 WeakPolarHBondContact O-CB 3.37Å; C42-L45 PolarHBondContact O-N 2.96Å; S43-L45 PolarHBondContact O-N 3.16Å; L45-S47 PolarHBondContact O-N 2.91Å; L45-S47 VanDerWaalsContact O-N 3.09Å; L45-S47 PolarHBondContact O-OG 2.83Å
46	N	82.2	Confident	73.4	Confident	156 Å²	156	60.1 Å²	60.1	83%	0.834	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	36.2	-174.3	-67	-21.7	0	0	0	113.2	C42 S43 Y44	C42-N46 PolarHBondContact O-N 3Å; S43-N46 PolarHBondContact O-N 2.92Å; Y44-N46 VanDerWaalsContact C-N 3.31Å
47	S	84.7	Confident	73.5	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.07	29%	0.292	C	S	.	.			trans	-135.1	168.1	-173.7	-62	0	0	0	0	110.1	C42 S43 L45 K139	C42-S47 CarbonylContact C-O 3.54Å; C42-S47 CarbonylContact O-C 3.51Å; C42-S47 WeakPolarHBondContact O-CA 3.26Å; C42-S47 PolarHBondContact O-N 3.33Å; S43-S47 WeakPolarHBondContact CA-O 3.43Å; S43-S47 PolarHBondContact N-O 3.43Å; L45-S47 PolarHBondContact O-N 2.91Å; L45-S47 VanDerWaalsContact O-N 3.09Å; L45-S47 PolarHBondContact O-OG 2.83Å; S47-K139 CarbonylContact C-O 3.54Å; S47-K139 WeakPolarHBondContact CA-O 3.41Å; S47-K139 WeakPolarHBondContact CB-O 3.26Å
48	L	83.8	Confident	73.2	Confident	97 Å²	97	54.1 Å²	54.1	51%	0.508	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-120.1	160.4	178.2	-63	172.5	0	0	0	110.1	C138 K139 V162	L48-C138 CarbonylContact O-C 3.43Å; L48-C138 WeakPolarHBondContact O-CA 3.31Å; L48-K139 PolarHBondContact N-O 3.23Å; L48-K139 WeakPolarHBondContact O-CB 3.22Å; L48-K139 PolarHBondContact O-N 3.48Å; L48-V162 HydrophobicContact CD1-CG1 3.4Å; L48-V162 VanDerWaalsContact CD1-CG1 3.4Å
49	L	79.4	Confident	72.6	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.058	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66.5	136.6	166.6	-69.2	170.6	0	0	0	109.2	W35 A38 A39 L136	W35-L49 HydrophobicContact CD2-CD1 4.39Å; W35-L49 HydrophobicContact CZ2-CD1 4.08Å; A38-L49 HydrophobicContact CB-CD1 4.21Å; A38-L49 HydrophobicContact CB-CD2 3.95Å; A39-L49 HydrophobicContact CB-CD1 3.93Å; L49-L136 HydrophobicContact CD2-CD1 4Å
50	P	74.1	Confident	71.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.6	141.9	176.8	29.5	-36.5	0	0	0	110.2	F24 D54 L87 G88 V137 K139	F24-P50 HydrophobicContact CD1-CB 4.37Å; F24-P50 HydrophobicContact CE1-CB 3.97Å; P50-D54 HydrophobicContact CB-CB 4.05Å; P50-L87 HydrophobicContact CG-CD2 4.11Å; P50-L87 CarbonylContact O-C 3.55Å; P50-L87 VanDerWaalsContact O-CA 3.25Å; P50-L87 WeakPolarHBondContact O-CA 3.4Å; P50-L87 WeakPolarHBondContact O-CB 3.48Å; P50-G88 PolarHBondContact O-N 3.39Å; P50-V137 WeakPolarHBondContact CD-O 3.43Å; P50-V137 HydrophobicContact CG-CB 4.02Å; P50-V137 HydrophobicContact CG-CG1 3.88Å; P50-K139 HydrophobicContact CB-CB 4.43Å
51	K	69.8	Low	70.8	Confident	90 Å²	90	57 Å²	57	39%	0.391	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-79.8	164.3	175.5	-68.2	-177.6	-178.1	179.6	0	111.1	N53 D54 M55 D89	K51-N53 PolarHBondContact O-N 2.84Å; K51-D54 WeakPolarHBondContact CB-OD2 3.37Å; K51-D54 PolarHBondContact N-OD2 2.94Å; K51-D54 WeakPolarHBondContact O-CA 3.38Å; K51-D54 VanDerWaalsContact O-CB 3.27Å; K51-D54 WeakPolarHBondContact O-CB 3.32Å; K51-D54 PolarHBondContact O-N 2.84Å; K51-M55 PolarHBondContact O-N 2.84Å; K51-D89 VanDerWaalsContact CA-OD1 3.24Å; K51-D89 WeakPolarHBondContact CA-OD1 3.36Å; K51-D89 WeakPolarHBondContact CB-OD2 3.39Å; K51-D89 HydrophobicContact CG-CB 4.4Å
52	V	60.5	Low	69.7	Low	46 Å²	46	54.6 Å²	54.6	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-52.1	-40.5	170.4	172.3	0	0	0	0	110.7	D54 M55 L87 D89 V90	V52-D54 PolarHBondContact O-N 2.85Å; V52-M55 WeakPolarHBondContact O-CB 3.4Å; V52-M55 WeakPolarHBondContact O-CG 3.13Å; V52-M55 PolarHBondContact O-N 3.4Å; V52-M55 VanDerWaalsContact O-N 3.1Å; V52-L87 HydrophobicContact CG2-CD1 3.72Å; V52-D89 VanDerWaalsContact N-CG 3.33Å; V52-D89 PolarHBondContact N-OD1 3.44Å; V52-D89 PolarHBondContact N-OD2 2.92Å; V52-D89 VanDerWaalsContact N-OD2 3.11Å; V52-V90 HydrophobicContact CG2-CB 3.7Å; V52-V90 HydrophobicContact CG2-CG1 4.44Å; V52-V90 HydrophobicContact CG2-CG2 3.41Å; V52-V90 VanDerWaalsContact CG2-CG2 3.41Å
53	N	57.4	Low	68.1	Low	96 Å²	96	60.3 Å²	60.3	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-17.9	177.8	-65.4	3.1	0	0	0	113.7	K51	K51-N53 PolarHBondContact O-N 2.84Å
54	D	66	Low	66.6	Low	8 Å²	8	59.9 Å²	59.9	4%	0.043	29%	0.287	C	S	.	.	H	α-helix	trans	-86.8	-22.6	174.5	-62.3	-48.8	0	0	0	112.3	V15 F24 P50 K51 V52 R56 Y57 F58 K139	V15-D54 WeakPolarHBondContact CG1-OD1 3.45Å; F24-D54 HydrophobicContact CE1-CB 3.88Å; F24-D54 HydrophobicContact CZ-CB 3.91Å; P50-D54 HydrophobicContact CB-CB 4.05Å; K51-D54 WeakPolarHBondContact CB-OD2 3.37Å; K51-D54 PolarHBondContact N-OD2 2.94Å; K51-D54 WeakPolarHBondContact O-CA 3.38Å; K51-D54 VanDerWaalsContact O-CB 3.27Å; K51-D54 WeakPolarHBondContact O-CB 3.32Å; K51-D54 PolarHBondContact O-N 2.84Å; V52-D54 PolarHBondContact O-N 2.85Å; D54-R56 PolarHBondContact O-N 2.94Å; D54-R56 VanDerWaalsContact O-N 3.16Å; D54-Y57 PolarHBondContact O-N 3.46Å; D54-F58 PolarHBondContact O-N 3.47Å; D54-K139 HydrophobicContact CB-CD 4.43Å; D54-K139 IonicContact OD1-NZ 3.22Å; D54-K139 PolarHBondContact OD1-NZ 3.29Å; D54-K139 VanDerWaalsContact OD2-CD 3.24Å; D54-K139 WeakPolarHBondContact OD2-CD 3.3Å; D54-K139 IonicContact OD2-NZ 2.77Å; D54-K139 PolarHBondContact OD2-NZ 3.43Å
55	M	61.2	Low	65.1	Low	22 Å²	22	55.4 Å²	55.4	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-52.8	-38.4	-177.3	-70.2	-75.4	-82.5	0	0	113.7	K51 V52 Y57 F58 Y59 F85 L87 A93	K51-M55 PolarHBondContact O-N 2.84Å; V52-M55 WeakPolarHBondContact O-CB 3.4Å; V52-M55 WeakPolarHBondContact O-CG 3.13Å; V52-M55 PolarHBondContact O-N 3.4Å; V52-M55 VanDerWaalsContact O-N 3.1Å; M55-Y57 PolarHBondContact O-N 3.05Å; M55-F58 CarbonylContact O-C 3.57Å; M55-F58 PolarHBondContact O-N 3.38Å; M55-F58 VanDerWaalsContact O-N 3.11Å; M55-Y59 PolarHBondContact O-N 2.88Å; M55-F85 HydrophobicContact CE-CE1 4.11Å; M55-F85 HydrophobicContact CE-CE2 3.85Å; M55-F85 HydrophobicContact CE-CZ 3.35Å; M55-F85 HydrophobicContact SD-CD2 4.47Å; M55-F85 HydrophobicContact SD-CE2 3.31Å; M55-F85 WeakPolarHBondContact SD-CE2 3.44Å; M55-F85 HydrophobicContact SD-CZ 3.4Å; M55-F85 WeakPolarHBondContact SD-CZ 3.46Å; M55-L87 HydrophobicContact CE-CD1 4.13Å; M55-L87 HydrophobicContact CE-CD2 4.29Å; M55-L87 HydrophobicContact CG-CD1 3.94Å; M55-L87 HydrophobicContact CG-CD2 4.16Å; M55-L87 HydrophobicContact SD-CD1 3.87Å; M55-L87 HydrophobicContact SD-CD2 3.34Å; M55-L87 WeakPolarHBondContact SD-CD2 3.5Å; M55-L87 HydrophobicContact SD-CG 4.26Å; M55-A93 HydrophobicContact CE-CB 4Å
56	R	55.4	Low	63.7	Low	88 Å²	88	59 Å²	59	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-31.6	-179.7	67.1	-168.6	-173.2	-160.3	1.8	113.1	D54 E393	D54-R56 PolarHBondContact O-N 2.94Å; D54-R56 VanDerWaalsContact O-N 3.16Å; R56-E393 IonicContact NH1-OE1 3.7Å; R56-E393 PolarHBondContact NH1-OE1 3.03Å
57	Y	63.5	Low	62.3	Low	37 Å²	37	52.4 Å²	52.4	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-80.8	-38.8	176.2	-56.8	-79.4	0	0	0	111.2	E13 R14 V15 G16 D54 M55 K60 T61	E13-Y57 HydrophobicContact CB-CD1 4.37Å; R14-Y57 WeakPolarHBondContact O-CE1 3.45Å; V15-Y57 HydrophobicContact CB-CD2 4.27Å; V15-Y57 HydrophobicContact CB-CE2 4.07Å; V15-Y57 HydrophobicContact CG1-CD2 4.05Å; V15-Y57 HydrophobicContact CG1-CE2 3.7Å; V15-Y57 HydrophobicContact CG2-CD1 4.28Å; V15-Y57 HydrophobicContact CG2-CD2 3.7Å; V15-Y57 HydrophobicContact CG2-CE2 4.01Å; V15-Y57 HydrophobicContact CG2-CG 3.84Å; G16-Y57 PolarHBondContact N-OH 2.8Å; D54-Y57 PolarHBondContact O-N 3.46Å; M55-Y57 PolarHBondContact O-N 3.05Å; Y57-K60 WeakPolarHBondContact O-CB 3.45Å; Y57-K60 PolarHBondContact O-N 3.39Å; Y57-T61 PolarHBondContact O-N 3.48Å; Y57-T61 VanDerWaalsContact O-N 3.16Å; Y57-T61 PolarHBondContact O-OG1 3.28Å
58	F	63.8	Low	60.6	Low	2 Å²	2	53.5 Å²	53.5	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-34.6	175.7	-174	-110.5	0	0	0	113.2	F24 W26 D54 M55 T61 L62 F85 L135 V137	F24-F58 HydrophobicContact CB-CD2 4.13Å; F24-F58 HydrophobicContact CD1-CB 4.33Å; F24-F58 HydrophobicContact CD1-CD2 4.31Å; F24-F58 HydrophobicContact CE1-CB 4.41Å; F24-F58 HydrophobicContact CG-CD2 4.34Å; W26-F58 HydrophobicContact CD2-CE2 4.39Å; W26-F58 AromaticContact CE3-CE2 3.91Å; W26-F58 HydrophobicContact CE3-CE2 3.91Å; D54-F58 PolarHBondContact O-N 3.47Å; M55-F58 CarbonylContact O-C 3.57Å; M55-F58 PolarHBondContact O-N 3.38Å; M55-F58 VanDerWaalsContact O-N 3.11Å; F58-T61 VanDerWaalsContact O-CB 3.24Å; F58-T61 WeakPolarHBondContact O-CB 3.45Å; F58-T61 PolarHBondContact O-N 2.92Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CD1-CG 4.35Å; F58-L62 HydrophobicContact CE1-CD1 3.64Å; F58-L62 HydrophobicContact CE1-CD2 4.18Å; F58-L62 HydrophobicContact CE1-CG 3.91Å; F58-L62 HydrophobicContact CZ-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD2 3.92Å; F58-L62 HydrophobicContact CZ-CG 4.06Å; F58-L62 PolarHBondContact O-N 3.38Å; F58-F85 AromaticContact CD1-CE2 3.89Å; F58-F85 HydrophobicContact CD1-CE2 3.89Å; F58-F85 AromaticContact CD1-CZ 3.69Å; F58-F85 HydrophobicContact CD1-CZ 3.69Å; F58-F85 HydrophobicContact CE1-CE1 4.31Å; F58-F85 AromaticContact CE1-CE2 3.96Å; F58-F85 HydrophobicContact CE1-CE2 3.96Å; F58-F85 AromaticContact CE1-CZ 3.75Å; F58-F85 HydrophobicContact CE1-CZ 3.75Å; F58-L135 HydrophobicContact CE1-CD2 4.33Å; F58-L135 HydrophobicContact CZ-CD2 3.95Å; F58-V137 HydrophobicContact CD1-CG2 4.39Å; F58-V137 HydrophobicContact CD2-CG1 3.81Å; F58-V137 HydrophobicContact CE1-CG1 4.34Å; F58-V137 HydrophobicContact CE1-CG2 3.61Å; F58-V137 HydrophobicContact CE2-CB 4.5Å; F58-V137 HydrophobicContact CE2-CG1 3.63Å; F58-V137 HydrophobicContact CE2-CG2 3.98Å; F58-V137 HydrophobicContact CG-CG1 4.26Å; F58-V137 HydrophobicContact CZ-CB 4.33Å; F58-V137 HydrophobicContact CZ-CG1 3.93Å; F58-V137 HydrophobicContact CZ-CG2 3.38Å
59	Y	58.4	Low	58.9	Low	70 Å²	70	51.1 Å²	51.1	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-39.6	174.8	-173.7	-101.1	0	0	0	112.1	M55 T61 L62 Q63 M95	M55-Y59 PolarHBondContact O-N 2.88Å; Y59-T61 VanDerWaalsContact C-N 3.28Å; Y59-T61 PolarHBondContact O-N 3Å; Y59-L62 PolarHBondContact O-N 2.81Å; Y59-Q63 HydrophobicContact CD1-CG 4.46Å; Y59-Q63 HydrophobicContact CE1-CG 3.93Å; Y59-Q63 PolarHBondContact O-N 3.48Å; Y59-Q63 VanDerWaalsContact O-N 3.07Å; Y59-Q63 PolarHBondContact OH-NE2 3.42Å; Y59-Q63 VanDerWaalsContact OH-NE2 3.08Å; Y59-M95 HydrophobicContact CD2-CE 4.35Å; Y59-M95 HydrophobicContact CD2-SD 4.37Å; Y59-M95 HydrophobicContact CE2-CE 4.2Å
60	K	56.2	Low	57.6	Low	116 Å²	116	52.8 Å²	52.8	50%	0.504	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-37.5	172.1	-169.2	-175	179.3	-170.9	0	111.9	Y57 S64	Y57-K60 WeakPolarHBondContact O-CB 3.45Å; Y57-K60 PolarHBondContact O-N 3.39Å; K60-S64 PolarHBondContact O-N 2.89Å; K60-S64 PolarHBondContact O-OG 2.94Å
61	T	57	Low	56.4	Low	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-54.7	170	-62.3	0	0	0	0	111.4	R11 W26 Y57 F58 Y59 Q63 S64	R11-T61 HydrophobicContact CB-CG2 3.83Å; R11-T61 VanDerWaalsContact CD-OG1 3.29Å; R11-T61 WeakPolarHBondContact CD-OG1 3.41Å; R11-T61 HydrophobicContact CG-CG2 4.32Å; R11-T61 PolarHBondContact NE-OG1 3.37Å; W26-T61 HydrophobicContact CH2-CG2 3.54Å; W26-T61 HydrophobicContact CZ2-CG2 4.46Å; W26-T61 HydrophobicContact CZ3-CG2 3.59Å; Y57-T61 PolarHBondContact O-N 3.48Å; Y57-T61 VanDerWaalsContact O-N 3.16Å; Y57-T61 PolarHBondContact O-OG1 3.28Å; F58-T61 VanDerWaalsContact O-CB 3.24Å; F58-T61 WeakPolarHBondContact O-CB 3.45Å; F58-T61 PolarHBondContact O-N 2.92Å; Y59-T61 VanDerWaalsContact C-N 3.28Å; Y59-T61 PolarHBondContact O-N 3Å; T61-Q63 VanDerWaalsContact C-N 3.32Å; T61-Q63 PolarHBondContact O-N 2.86Å; T61-S64 PolarHBondContact O-N 2.91Å; T61-S64 VanDerWaalsContact O-N 3.09Å
62	L	58.4	Low	55.3	Low	1 Å²	1	53 Å²	53	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-37.5	-176.9	-70	176.9	0	0	0	114	F58 Y59 I67 M95	F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CD1-CG 4.35Å; F58-L62 HydrophobicContact CE1-CD1 3.64Å; F58-L62 HydrophobicContact CE1-CD2 4.18Å; F58-L62 HydrophobicContact CE1-CG 3.91Å; F58-L62 HydrophobicContact CZ-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD2 3.92Å; F58-L62 HydrophobicContact CZ-CG 4.06Å; F58-L62 PolarHBondContact O-N 3.38Å; Y59-L62 PolarHBondContact O-N 2.81Å; L62-I67 HydrophobicContact CD2-CG2 4.24Å; L62-M95 HydrophobicContact CD1-CE 3.98Å; L62-M95 HydrophobicContact CD1-SD 3.93Å
63	Q	52.1	Low	54.6	Low	119 Å²	119	58.7 Å²	58.7	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-71.6	-27.4	177.5	-79.2	-166.8	-17.5	0	0	114.1	Y59 T61	Y59-Q63 HydrophobicContact CD1-CG 4.46Å; Y59-Q63 HydrophobicContact CE1-CG 3.93Å; Y59-Q63 PolarHBondContact O-N 3.48Å; Y59-Q63 VanDerWaalsContact O-N 3.07Å; Y59-Q63 PolarHBondContact OH-NE2 3.42Å; Y59-Q63 VanDerWaalsContact OH-NE2 3.08Å; T61-Q63 VanDerWaalsContact C-N 3.32Å; T61-Q63 PolarHBondContact O-N 2.86Å
64	S	50.4	Low	54.1	Low	67 Å²	67	58.9 Å²	58.9	47%	0.469	30%	0.303	S	S	.	.	H	α-helix	trans	-81.1	-32.1	-170.2	-57.4	0	0	0	0	113.8	R11 K60 T61	R11-S64 PolarHBondContact NH1-OG 3.19Å; R11-S64 PolarHBondContact NH2-OG 3.16Å; K60-S64 PolarHBondContact O-N 2.89Å; K60-S64 PolarHBondContact O-OG 2.94Å; T61-S64 PolarHBondContact O-N 2.91Å; T61-S64 VanDerWaalsContact O-N 3.09Å
65	D	51.3	Low	52.8	Low	76 Å²	76	61.9 Å²	61.9	41%	0.406	33%	0.325	S	S	.	.	S	Bend	trans	-109.7	14.9	-155.8	-61.1	-18.4	0	0	0	112.6	R11 I67	R11-D65 IonicContact NH1-OD1 3.19Å; R11-D65 PolarHBondContact NH1-OD1 3.41Å; R11-D65 IonicContact NH1-OD2 2.72Å; D65-I67 HydrophobicContact CB-CD1 3.6Å; D65-I67 HydrophobicContact CB-CG1 3.72Å; D65-I67 PolarHBondContact O-N 3.45Å
66	D	52.2	Low	51.9	Low	126 Å²	126	70 Å²	70	67%	0.674	36%	0.363	S	S	*	.			trans	52.7	10.8	-175.5	-96.8	-23.4	0	0	0	115.8	I68 S69	D66-I68 PolarHBondContact O-N 2.82Å; D66-S69 WeakPolarHBondContact O-CB 3.43Å; D66-S69 PolarHBondContact O-N 2.86Å; D66-S69 PolarHBondContact O-OG 2.91Å
67	I	51.8	Low	51.3	Low	18 Å²	18	72.6 Å²	72.6	9%	0.092	38%	0.384	C	S	.	.	H	α-helix	trans	-50.6	-36.9	-179.4	-65.4	162.1	0	0	0	110.9	W26 L62 D65 S69 S70 I71	W26-I67 HydrophobicContact CH2-CD1 4.02Å; W26-I67 HydrophobicContact CZ2-CD1 3.36Å; W26-I67 HydrophobicContact CZ2-CG1 4.39Å; L62-I67 HydrophobicContact CD2-CG2 4.24Å; D65-I67 HydrophobicContact CB-CD1 3.6Å; D65-I67 HydrophobicContact CB-CG1 3.72Å; D65-I67 PolarHBondContact O-N 3.45Å; I67-S69 VanDerWaalsContact C-N 3.26Å; I67-S69 PolarHBondContact O-N 3.37Å; I67-S70 PolarHBondContact O-N 2.88Å; I67-S70 PolarHBondContact O-OG 3Å; I67-I71 HydrophobicContact CG2-CD1 3.67Å; I67-I71 HydrophobicContact CG2-CG1 4.07Å; I67-I71 WeakPolarHBondContact O-CG1 3.43Å; I67-I71 PolarHBondContact O-N 2.97Å
68	I	49.1	Very low	49.8	Very low	34 Å²	34	80.3 Å²	80.3	17%	0.174	42%	0.418	C	S	.	.	H	α-helix	trans	-57.5	-38.4	177.8	-59.6	175.1	0	0	0	112	D66 S70 I71 S72 Y97	D66-I68 PolarHBondContact O-N 2.82Å; I68-S70 VanDerWaalsContact C-N 3.25Å; I68-S70 PolarHBondContact O-N 3.48Å; I68-I71 PolarHBondContact O-N 3.46Å; I68-S72 WeakPolarHBondContact O-CB 3.32Å; I68-S72 PolarHBondContact O-N 2.95Å; I68-S72 PolarHBondContact O-OG 2.83Å; I68-Y97 HydrophobicContact CD1-CE2 4.08Å; I68-Y97 WeakPolarHBondContact CD1-OH 3.39Å; I68-Y97 HydrophobicContact CG2-CD2 4.45Å; I68-Y97 HydrophobicContact CG2-CE2 3.39Å
69	S	48.2	Very low	48.4	Very low	46 Å²	46	86.3 Å²	86.3	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-22.7	178.7	81.6	0	0	0	0	112.5	D66 I67 S72 K73	D66-S69 WeakPolarHBondContact O-CB 3.43Å; D66-S69 PolarHBondContact O-N 2.86Å; D66-S69 PolarHBondContact O-OG 2.91Å; I67-S69 VanDerWaalsContact C-N 3.26Å; I67-S69 PolarHBondContact O-N 3.37Å; S69-S72 PolarHBondContact O-OG 3.3Å; S69-K73 WeakPolarHBondContact O-CD 3.43Å; S69-K73 WeakPolarHBondContact O-CE 3.4Å; S69-K73 VanDerWaalsContact O-CG 3.24Å; S69-K73 WeakPolarHBondContact O-CG 3.38Å
70	S	52.3	Low	47.5	Very low	47 Å²	47	88 Å²	88	33%	0.329	47%	0.465	S	S	.	.	H	α-helix	trans	-90.8	-27.4	173.9	84.9	0	0	0	0	112.5	R28 I67 I68 T74	R28-S70 PolarHBondContact NH1-O 3.48Å; R28-S70 PolarHBondContact NH2-O 2.93Å; R28-S70 PolarHBondContact NH2-OG 3.28Å; I67-S70 PolarHBondContact O-N 2.88Å; I67-S70 PolarHBondContact O-OG 3Å; I68-S70 VanDerWaalsContact C-N 3.25Å; I68-S70 PolarHBondContact O-N 3.48Å; S70-T74 PolarHBondContact O-OG1 3.35Å
71	I	50.3	Low	46.7	Very low	30 Å²	30	86.8 Å²	86.8	15%	0.154	47%	0.471	C	S	.	.	H	α-helix	trans	-68.3	-47.4	171.5	-67.2	173.3	0	0	0	110.8	R28 I67 I68 K73 V83	R28-I71 VanDerWaalsContact NH2-CG1 3.33Å; I67-I71 HydrophobicContact CG2-CD1 3.67Å; I67-I71 HydrophobicContact CG2-CG1 4.07Å; I67-I71 WeakPolarHBondContact O-CG1 3.43Å; I67-I71 PolarHBondContact O-N 2.97Å; I68-I71 PolarHBondContact O-N 3.46Å; I71-K73 PolarHBondContact O-N 3.24Å; I71-V83 HydrophobicContact CD1-CG2 4Å; I71-V83 HydrophobicContact CG2-CG2 4.28Å
72	S	45.4	Very low	46.1	Very low	63 Å²	63	87.1 Å²	87.1	44%	0.441	47%	0.474	S	S	.	.	H	α-helix	trans	-67.9	-32	-174.8	52.9	0	0	0	0	114.4	I68 S69 T74	I68-S72 WeakPolarHBondContact O-CB 3.32Å; I68-S72 PolarHBondContact O-N 2.95Å; I68-S72 PolarHBondContact O-OG 2.83Å; S69-S72 PolarHBondContact O-OG 3.3Å; S72-T74 VanDerWaalsContact C-N 3.34Å; S72-T74 PolarHBondContact O-N 3.42Å
73	K	47.2	Very low	45.9	Very low	166 Å²	166	87.4 Å²	87.4	72%	0.722	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.7	-174.8	-74.9	173.2	-171.5	161.8	0	115.6	S69 I71	S69-K73 WeakPolarHBondContact O-CD 3.43Å; S69-K73 WeakPolarHBondContact O-CE 3.4Å; S69-K73 VanDerWaalsContact O-CG 3.24Å; S69-K73 WeakPolarHBondContact O-CG 3.38Å; I71-K73 PolarHBondContact O-N 3.24Å
74	T	45.2	Very low	46.2	Very low	100 Å²	100	82 Å²	82	61%	0.613	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.7	-175.6	-20.9	0	0	0	0	114	R28 S70 S72 E76	R28-T74 PolarHBondContact NH1-OG1 2.97Å; S70-T74 PolarHBondContact O-OG1 3.35Å; S72-T74 VanDerWaalsContact C-N 3.34Å; S72-T74 PolarHBondContact O-N 3.42Å; T74-E76 PolarHBondContact O-N 3.47Å
75	S	40.6	Very low	47	Very low	72 Å²	72	78.8 Å²	78.8	50%	0.503	43%	0.429	S	S	.	.			trans	-91.5	88.9	179.2	-168.5	0	0	0	0	111.3	N77	S75-N77 PolarHBondContact O-N 2.84Å; S75-N77 PolarHBondContact OG-O 3.23Å
76	E	42.1	Very low	47.7	Very low	193 Å²	193	75.8 Å²	75.8	90%	0.902	41%	0.412	S	S	*	.			trans	-68.8	-14.3	174.5	-68.5	-171.3	145.8	0	0	113.1	T74	T74-E76 PolarHBondContact O-N 3.47Å
77	N	41.2	Very low	48.3	Very low	142 Å²	142	69.8 Å²	69.8	76%	0.759	38%	0.38	S	S	*	.	S	Bend	trans	-95.9	100.3	171.8	-90	-30	0	0	0	111.4	S75 T79	S75-N77 PolarHBondContact O-N 2.84Å; S75-N77 PolarHBondContact OG-O 3.23Å; N77-T79 PolarHBondContact O-N 3.4Å; N77-T79 VanDerWaalsContact O-N 3.1Å
78	K	32.6	Very low	48.5	Very low	199 Å²	199	70.5 Å²	70.5	87%	0.865	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	111	168	-64.7	170.6	178.5	173.6	0	111.1
79	T	35	Very low	49	Very low	128 Å²	128	72.7 Å²	72.7	79%	0.785	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.4	-32.8	140.6	15.1	0	0	0	0	114.8	N77	N77-T79 PolarHBondContact O-N 3.4Å; N77-T79 VanDerWaalsContact O-N 3.1Å
80	H	38.5	Very low	49.1	Very low	105 Å²	105	71.7 Å²	71.7	49%	0.486	40%	0.395	S	S	.	.			trans	-128	108.8	-175.6	-67.3	-7.6	0	0	0	111.8	G82	H80-G82 PolarHBondContact O-N 3.33Å
81	S	39	Very low	48.6	Very low	90 Å²	90	71.6 Å²	71.6	63%	0.629	39%	0.391	S	S	*	.			trans	-86.2	38.6	175.4	-62.8	0	0	0	0	112.1
82	G	45.9	Very low	48.1	Very low	7 Å²	7	72 Å²	72	7%	0.072	39%	0.392	C	S	.	.			trans	-104	151.7	-170.1	0	0	0	0	0	115.2	H80 M95 N134	H80-G82 PolarHBondContact O-N 3.33Å; G82-M95 CarbonylContact C-O 3.56Å; G82-M95 WeakPolarHBondContact CA-O 3.3Å; G82-N134 PolarHBondContact O-ND2 2.83Å
83	V	54.3	Low	48.1	Very low	7 Å²	7	69.1 Å²	69.1	4%	0.042	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.5	171.2	-174.7	0	0	0	0	108.3	I71 F85 M95 L135	I71-V83 HydrophobicContact CD1-CG2 4Å; I71-V83 HydrophobicContact CG2-CG2 4.28Å; V83-F85 HydrophobicContact CG1-CD1 4.09Å; V83-F85 HydrophobicContact CG1-CE1 4.34Å; V83-M95 HydrophobicContact CB-CB 4.29Å; V83-M95 HydrophobicContact CB-CE 4.29Å; V83-M95 HydrophobicContact CB-SD 4.39Å; V83-M95 HydrophobicContact CG2-CE 4.33Å; V83-M95 PolarHBondContact N-O 2.89Å; V83-M95 WeakPolarHBondContact O-CB 3.4Å; V83-M95 PolarHBondContact O-N 3.42Å; V83-L135 HydrophobicContact CG1-CB 4.09Å; V83-L135 HydrophobicContact CG1-CD2 3.66Å
84	V	58.6	Low	47.9	Very low	6 Å²	6	61.5 Å²	61.5	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.2	-172	-173.8	0	0	0	0	109.5	E92 A93 T94 A133 N134 L135	V84-E92 HydrophobicContact CG1-CG 3.99Å; V84-E92 WeakPolarHBondContact CG1-OE1 3.44Å; V84-A93 WeakPolarHBondContact CA-O 3.28Å; V84-T94 HydrophobicContact CB-CG2 4.35Å; V84-T94 HydrophobicContact CG1-CG2 3.64Å; V84-T94 HydrophobicContact CG2-CG2 3.88Å; V84-A133 HydrophobicContact CG1-CB 4.35Å; V84-A133 CarbonylContact O-C 3.57Å; V84-A133 VanDerWaalsContact O-CA 3.25Å; V84-A133 WeakPolarHBondContact O-CA 3.27Å; V84-N134 PolarHBondContact N-OD1 2.83Å; V84-N134 PolarHBondContact O-N 3.44Å; V84-N134 PolarHBondContact O-OD1 2.84Å; V84-L135 PolarHBondContact O-N 2.75Å
85	F	67.2	Low	48.1	Very low	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	159.4	-173.2	61.1	-75.3	0	0	0	113.7	M55 F58 V83 L87 A93 M95 L135 V137	M55-F85 HydrophobicContact CE-CE1 4.11Å; M55-F85 HydrophobicContact CE-CE2 3.85Å; M55-F85 HydrophobicContact CE-CZ 3.35Å; M55-F85 HydrophobicContact SD-CD2 4.47Å; M55-F85 HydrophobicContact SD-CE2 3.31Å; M55-F85 WeakPolarHBondContact SD-CE2 3.44Å; M55-F85 HydrophobicContact SD-CZ 3.4Å; M55-F85 WeakPolarHBondContact SD-CZ 3.46Å; F58-F85 AromaticContact CD1-CE2 3.89Å; F58-F85 HydrophobicContact CD1-CE2 3.89Å; F58-F85 AromaticContact CD1-CZ 3.69Å; F58-F85 HydrophobicContact CD1-CZ 3.69Å; F58-F85 HydrophobicContact CE1-CE1 4.31Å; F58-F85 AromaticContact CE1-CE2 3.96Å; F58-F85 HydrophobicContact CE1-CE2 3.96Å; F58-F85 AromaticContact CE1-CZ 3.75Å; F58-F85 HydrophobicContact CE1-CZ 3.75Å; V83-F85 HydrophobicContact CG1-CD1 4.09Å; V83-F85 HydrophobicContact CG1-CE1 4.34Å; F85-L87 HydrophobicContact CD2-CD2 3.72Å; F85-L87 HydrophobicContact CE2-CD2 3.61Å; F85-A93 PolarHBondContact N-O 2.96Å; F85-A93 VanDerWaalsContact N-O 3.1Å; F85-A93 PolarHBondContact O-N 2.88Å; F85-M95 HydrophobicContact CE1-SD 4.08Å; F85-L135 HydrophobicContact CB-CB 4.44Å; F85-L135 WeakPolarHBondContact CB-O 3.46Å; F85-V137 HydrophobicContact CB-CG2 4.3Å; F85-V137 HydrophobicContact CD2-CB 4.19Å; F85-V137 HydrophobicContact CD2-CG2 3.67Å; F85-V137 HydrophobicContact CE2-CG2 4.05Å; F85-V137 HydrophobicContact CG-CG2 4.12Å
86	Y	65	Low	48.1	Very low	13 Å²	13	56.3 Å²	56.3	5%	0.051	30%	0.302	C	S	.	.			trans	-89.8	141.9	-178.1	-59.1	-77.8	0	0	0	111.6	I32 S34 W35 A38 L91 A133	I32-Y86 HydrophobicContact CB-CE2 4.1Å; I32-Y86 HydrophobicContact CG2-CD2 4.09Å; I32-Y86 HydrophobicContact CG2-CE2 3.45Å; I32-Y86 VanDerWaalsContact CG2-CE2 3.45Å; I32-Y86 PolarHBondContact O-OH 2.8Å; I32-Y86 VanDerWaalsContact O-OH 3.08Å; S34-Y86 PolarHBondContact N-OH 3.39Å; W35-Y86 HydrophobicContact CB-CD1 3.85Å; W35-Y86 HydrophobicContact CB-CE1 4.17Å; W35-Y86 HydrophobicContact CG-CD1 4.4Å; W35-Y86 VanDerWaalsContact N-CE1 3.33Å; A38-Y86 HydrophobicContact CB-CD2 3.38Å; A38-Y86 HydrophobicContact CB-CE2 4.06Å; A38-Y86 HydrophobicContact CB-CG 3.69Å; Y86-L91 WeakPolarHBondContact CD1-O 3.22Å; Y86-A133 HydrophobicContact CD2-CB 3.83Å; Y86-A133 HydrophobicContact CE2-CB 3.29Å
87	L	65.3	Low	47.8	Very low	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.			trans	-116.3	157	178.4	-53.7	-177.6	0	0	0	111.9	W35 P50 V52 M55 F85 D89 V90 A93	W35-L87 PolarHBondContact NE1-O 2.9Å; P50-L87 HydrophobicContact CG-CD2 4.11Å; P50-L87 CarbonylContact O-C 3.55Å; P50-L87 VanDerWaalsContact O-CA 3.25Å; P50-L87 WeakPolarHBondContact O-CA 3.4Å; P50-L87 WeakPolarHBondContact O-CB 3.48Å; V52-L87 HydrophobicContact CG2-CD1 3.72Å; M55-L87 HydrophobicContact CE-CD1 4.13Å; M55-L87 HydrophobicContact CE-CD2 4.29Å; M55-L87 HydrophobicContact CG-CD1 3.94Å; M55-L87 HydrophobicContact CG-CD2 4.16Å; M55-L87 HydrophobicContact SD-CD1 3.87Å; M55-L87 HydrophobicContact SD-CD2 3.34Å; M55-L87 WeakPolarHBondContact SD-CD2 3.5Å; M55-L87 HydrophobicContact SD-CG 4.26Å; F85-L87 HydrophobicContact CD2-CD2 3.72Å; F85-L87 HydrophobicContact CE2-CD2 3.61Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 3.4Å; L87-V90 CarbonylContact C-O 2.98Å; L87-V90 HydrophobicContact CB-CB 4.27Å; L87-V90 WeakPolarHBondContact CB-O 3.33Å; L87-V90 HydrophobicContact CD1-CB 4.21Å; L87-V90 HydrophobicContact CD1-CG1 4.26Å; L87-V90 PolarHBondContact N-O 3.33Å; L87-A93 HydrophobicContact CD1-CB 3.82Å; L87-A93 HydrophobicContact CG-CB 4.19Å
88	G	56.4	Low	47.5	Very low	32 Å²	32	47.7 Å²	47.7	33%	0.33	26%	0.256	S	S	.	.	S	Bend	trans	-72.3	-17.8	-175.9	0	0	0	0	0	115.1	P50	P50-G88 PolarHBondContact O-N 3.39Å
89	D	58.2	Low	47.6	Very low	81 Å²	81	41.8 Å²	41.8	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	-129.1	-9.7	-174.4	55.8	-11.1	0	0	0	113.9	K51 V52 L87	K51-D89 VanDerWaalsContact CA-OD1 3.24Å; K51-D89 WeakPolarHBondContact CA-OD1 3.36Å; K51-D89 WeakPolarHBondContact CB-OD2 3.39Å; K51-D89 HydrophobicContact CG-CB 4.4Å; V52-D89 VanDerWaalsContact N-CG 3.33Å; V52-D89 PolarHBondContact N-OD1 3.44Å; V52-D89 PolarHBondContact N-OD2 2.92Å; V52-D89 VanDerWaalsContact N-OD2 3.11Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 3.4Å
90	V	50.7	Low	47.8	Very low	24 Å²	24	43.7 Å²	43.7	15%	0.145	24%	0.238	C	C	.	.	S	Bend	trans	-132.9	139.1	177.2	157.1	0	0	0	0	108.9	V52 L87 E92 T109	V52-V90 HydrophobicContact CG2-CB 3.7Å; V52-V90 HydrophobicContact CG2-CG1 4.44Å; V52-V90 HydrophobicContact CG2-CG2 3.41Å; V52-V90 VanDerWaalsContact CG2-CG2 3.41Å; L87-V90 CarbonylContact C-O 2.98Å; L87-V90 HydrophobicContact CB-CB 4.27Å; L87-V90 WeakPolarHBondContact CB-O 3.33Å; L87-V90 HydrophobicContact CD1-CB 4.21Å; L87-V90 HydrophobicContact CD1-CG1 4.26Å; L87-V90 PolarHBondContact N-O 3.33Å; V90-E92 PolarHBondContact O-N 2.89Å; V90-T109 WeakPolarHBondContact CG1-O 3.35Å
91	L	41.8	Very low	47.7	Very low	45 Å²	45	47.4 Å²	47.4	24%	0.236	26%	0.255	C	S	.	.	S	Bend	trans	-62	-43.9	-167.8	-72.4	175	0	0	0	112.9	Y86 T109 E111 K112 L118	Y86-L91 WeakPolarHBondContact CD1-O 3.22Å; L91-T109 HydrophobicContact CB-CG2 4.21Å; L91-T109 HydrophobicContact CD1-CG2 4.4Å; L91-T109 PolarHBondContact N-O 2.93Å; L91-E111 WeakPolarHBondContact CD1-O 3.33Å; L91-K112 HydrophobicContact CD1-CB 4.02Å; L91-K112 HydrophobicContact CD2-CB 4.5Å; L91-K112 HydrophobicContact CD2-CD 4.43Å; L91-L118 HydrophobicContact CD1-CD2 4.37Å
92	E	39.4	Very low	47.5	Very low	40 Å²	40	46 Å²	46	19%	0.187	25%	0.246	C	C	.	.			trans	-159.9	139.4	-175.8	-170.1	158.7	-149.7	0	0	109.4	V84 V90 T109	V84-E92 HydrophobicContact CG1-CG 3.99Å; V84-E92 WeakPolarHBondContact CG1-OE1 3.44Å; V90-E92 PolarHBondContact O-N 2.89Å; E92-T109 WeakPolarHBondContact O-CB 3.44Å; E92-T109 PolarHBondContact O-N 3.36Å; E92-T109 PolarHBondContact O-OG1 2.94Å
93	A	45.8	Very low	46.7	Very low	1 Å²	1	48.2 Å²	48.2	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125	171.8	0	0	0	0	0	109.4	M55 V84 F85 L87 L108	M55-A93 HydrophobicContact CE-CB 4Å; V84-A93 WeakPolarHBondContact CA-O 3.28Å; F85-A93 PolarHBondContact N-O 2.96Å; F85-A93 VanDerWaalsContact N-O 3.1Å; F85-A93 PolarHBondContact O-N 2.88Å; L87-A93 HydrophobicContact CD1-CB 3.82Å; L87-A93 HydrophobicContact CG-CB 4.19Å; A93-L108 HydrophobicContact CB-CD2 4.38Å
94	T	42.6	Very low	45.6	Very low	7 Å²	7	53.5 Å²	53.5	4%	0.043	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.7	174.5	51.9	0	0	0	0	108.5	V84 D96 C107 T131	V84-T94 HydrophobicContact CB-CG2 4.35Å; V84-T94 HydrophobicContact CG1-CG2 3.64Å; V84-T94 HydrophobicContact CG2-CG2 3.88Å; T94-D96 PolarHBondContact O-N 3.38Å; T94-C107 WeakPolarHBondContact OG1-CB 3.47Å; T94-T131 WeakPolarHBondContact CG2-OG1 3.4Å
95	M	49.6	Very low	44.3	Very low	14 Å²	14	60.7 Å²	60.7	7%	0.069	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	91.8	162.8	-72.7	171.8	40.2	0	0	108.2	Y59 L62 G82 V83 F85	Y59-M95 HydrophobicContact CD2-CE 4.35Å; Y59-M95 HydrophobicContact CD2-SD 4.37Å; Y59-M95 HydrophobicContact CE2-CE 4.2Å; L62-M95 HydrophobicContact CD1-CE 3.98Å; L62-M95 HydrophobicContact CD1-SD 3.93Å; G82-M95 CarbonylContact C-O 3.56Å; G82-M95 WeakPolarHBondContact CA-O 3.3Å; V83-M95 HydrophobicContact CB-CB 4.29Å; V83-M95 HydrophobicContact CB-CE 4.29Å; V83-M95 HydrophobicContact CB-SD 4.39Å; V83-M95 HydrophobicContact CG2-CE 4.33Å; V83-M95 PolarHBondContact N-O 2.89Å; V83-M95 WeakPolarHBondContact O-CB 3.4Å; V83-M95 PolarHBondContact O-N 3.42Å; F85-M95 HydrophobicContact CE1-SD 4.08Å
96	D	40.6	Very low	43	Very low	48 Å²	48	65.8 Å²	65.8	26%	0.257	35%	0.345	S	S	.	.			trans	-69.2	138.6	150.5	-76.7	-49.9	0	0	0	107.9	T94 P98 C129	T94-D96 PolarHBondContact O-N 3.38Å; D96-P98 VanDerWaalsContact O-CD 3.25Å; D96-P98 WeakPolarHBondContact O-CD 3.35Å; D96-C129 PolarHBondContact OD2-SG 3.07Å; D96-C129 VanDerWaalsContact OD2-SG 3.38Å
97	Y	35.7	Very low	41.6	Very low	115 Å²	115	66.6 Å²	66.6	45%	0.451	35%	0.352	S	S	.	.			trans	-67.4	114.2	-172.5	-143.9	-89.9	0	0	0	108.9	I68 N99	I68-Y97 HydrophobicContact CD1-CE2 4.08Å; I68-Y97 WeakPolarHBondContact CD1-OH 3.39Å; I68-Y97 HydrophobicContact CG2-CD2 4.45Å; I68-Y97 HydrophobicContact CG2-CE2 3.39Å; Y97-N99 PolarHBondContact O-N 2.9Å
98	P	35	Very low	40.3	Very low	39 Å²	39	70.2 Å²	70.2	25%	0.253	37%	0.37	S	S	.	.			trans	-70.9	101.3	178.6	29.3	-32.1	0	0	0	107.4	D96 I100 E104	D96-P98 VanDerWaalsContact O-CD 3.25Å; D96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-I100 PolarHBondContact O-N 3.08Å; P98-I100 VanDerWaalsContact O-N 3.1Å; P98-E104 WeakPolarHBondContact CB-O 3.34Å
99	N	36.1	Very low	39.7	Very low	76 Å²	76	69.1 Å²	69.1	41%	0.406	36%	0.357	S	S	.	.			trans	-64.7	115.9	164.7	176.6	10.4	0	0	0	106.5	Y97 E101 S102 G103	Y97-N99 PolarHBondContact O-N 2.9Å; N99-E101 PolarHBondContact O-N 2.96Å; N99-E101 VanDerWaalsContact O-N 3.09Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.39Å; N99-S102 WeakPolarHBondContact CB-OG 3.32Å; N99-S102 PolarHBondContact O-N 2.98Å; N99-S102 PolarHBondContact O-OG 2.94Å; N99-G103 PolarHBondContact O-N 3.01Å
100	I	38	Very low	38.5	Very low	167 Å²	167	72.1 Å²	72.1	86%	0.856	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.5	-176.6	-53.6	173.3	0	0	0	110	P98	P98-I100 PolarHBondContact O-N 3.08Å; P98-I100 VanDerWaalsContact O-N 3.1Å
101	E	37.2	Very low	37.5	Very low	183 Å²	183	78.7 Å²	78.7	86%	0.855	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.4	174.8	-52.9	-178.1	158.2	0	0	114.1	N99	N99-E101 PolarHBondContact O-N 2.96Å; N99-E101 VanDerWaalsContact O-N 3.09Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.39Å
102	S	33.8	Very low	37.1	Very low	61 Å²	61	83.6 Å²	83.6	43%	0.427	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-26.4	-178.7	74.9	0	0	0	0	114.3	N99 E104	N99-S102 WeakPolarHBondContact CB-OG 3.32Å; N99-S102 PolarHBondContact O-N 2.98Å; N99-S102 PolarHBondContact O-OG 2.94Å; S102-E104 WeakPolarHBondContact CB-OE2 3.47Å; S102-E104 VanDerWaalsContact OG-CG 3.31Å; S102-E104 WeakPolarHBondContact OG-CG 3.36Å; S102-E104 PolarHBondContact OG-N 2.78Å; S102-E104 PolarHBondContact OG-OE2 2.87Å
103	G	29.7	Very low	36.8	Very low	54 Å²	54	86.2 Å²	86.2	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	15.2	-176.2	0	0	0	0	0	115.4	N99 R105	N99-G103 PolarHBondContact O-N 3.01Å; G103-R105 WeakPolarHBondContact O-CG 3.33Å
104	E	31.7	Very low	36	Very low	117 Å²	117	91.8 Å²	91.8	55%	0.547	48%	0.475	S	S	.	.			trans	-63.7	147	176.9	-75.8	159.7	142	0	0	112.7	P98 S102	P98-E104 WeakPolarHBondContact CB-O 3.34Å; S102-E104 WeakPolarHBondContact CB-OE2 3.47Å; S102-E104 VanDerWaalsContact OG-CG 3.31Å; S102-E104 WeakPolarHBondContact OG-CG 3.36Å; S102-E104 PolarHBondContact OG-N 2.78Å; S102-E104 PolarHBondContact OG-OE2 2.87Å
105	R	31.4	Very low	35.5	Very low	157 Å²	157	95.9 Å²	95.9	59%	0.592	52%	0.519	S	S	*	.			trans	-129.3	153.7	-169.5	-53.5	-171.6	-171.3	-162.3	4.8	112.1	G103 E423	G103-R105 WeakPolarHBondContact O-CG 3.33Å; R105-E423 IonicContact NH2-OE2 3.77Å; R105-E423 PolarHBondContact NH2-OE2 3.34Å
106	M	38.2	Very low	34.7	Very low	108 Å²	108	98.4 Å²	98.4	53%	0.532	54%	0.538	S	S	.	.			trans	-65.6	134.9	-179.6	-176.3	-173.2	-63.5	0	0	112.7	L108	M106-L108 HydrophobicContact SD-CD2 4.24Å; M106-L108 HydrophobicContact SD-CG 4.47Å
107	C	36.7	Very low	34.1	Very low	30 Å²	30	104.2 Å²	104.2	20%	0.203	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	136	174.7	-73.2	0	0	0	0	112.2	T94	T94-C107 WeakPolarHBondContact OG1-CB 3.47Å
108	L	38.7	Very low	33.8	Very low	75 Å²	75	104.7 Å²	104.7	39%	0.393	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.3	128.9	-177.6	-68.5	170.4	0	0	0	111	A93 M106	A93-L108 HydrophobicContact CB-CD2 4.38Å; M106-L108 HydrophobicContact SD-CD2 4.24Å; M106-L108 HydrophobicContact SD-CG 4.47Å
109	T	42.6	Very low	33.5	Very low	9 Å²	9	111.3 Å²	111.3	6%	0.055	60%	0.6	C	S	.	*			trans	-100.5	102.1	-172.8	-55.1	0	0	0	0	113.1	V90 L91 E92 L118 L120	V90-T109 WeakPolarHBondContact CG1-O 3.35Å; L91-T109 HydrophobicContact CB-CG2 4.21Å; L91-T109 HydrophobicContact CD1-CG2 4.4Å; L91-T109 PolarHBondContact N-O 2.93Å; E92-T109 WeakPolarHBondContact O-CB 3.44Å; E92-T109 PolarHBondContact O-N 3.36Å; E92-T109 PolarHBondContact O-OG1 2.94Å; T109-L118 HydrophobicContact CG2-CD2 4.44Å; T109-L120 HydrophobicContact CG2-CD1 4.38Å; T109-L120 HydrophobicContact CG2-CD2 3.73Å; T109-L120 HydrophobicContact CG2-CG 4.26Å
110	I	33.6	Very low	33.3	Very low	144 Å²	144	112 Å²	112	74%	0.738	60%	0.604	S	S	*	*			trans	-94	-18.2	-158.7	-57.1	179	0	0	0	116
111	E	29.2	Very low	32.9	Very low	162 Å²	162	108.7 Å²	108.7	76%	0.757	60%	0.601	S	S	*	*			trans	-141	147.7	-171.4	-160.7	162	-156.1	0	0	117.2	L91	L91-E111 WeakPolarHBondContact CD1-O 3.33Å
112	K	33.6	Very low	32.6	Very low	149 Å²	149	104 Å²	104	65%	0.648	58%	0.579	S	S	*	*			trans	-117.6	116.6	-179	-174.8	178.8	179	174.7	0	111.7	L91	L91-K112 HydrophobicContact CD1-CB 4.02Å; L91-K112 HydrophobicContact CD2-CB 4.5Å; L91-K112 HydrophobicContact CD2-CD 4.43Å
113	V	32	Very low	32.6	Very low	94 Å²	94	107.5 Å²	107.5	57%	0.57	60%	0.603	S	S	*	*			trans	-108.4	129.9	164.9	177.2	0	0	0	0	109.4	G115 S116	V113-G115 PolarHBondContact O-N 2.88Å; V113-S116 WeakPolarHBondContact CB-OG 3.17Å; V113-S116 PolarHBondContact O-OG 2.87Å
114	P	29.4	Very low	32.5	Very low	119 Å²	119	108.9 Å²	108.9	77%	0.773	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	125.1	177.9	-15.8	30.1	0	0	0	111.8
115	G	33.7	Very low	32.2	Very low	93 Å²	93	107.2 Å²	107.2	96%	0.959	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	92	0.8	170.2	0	0	0	0	0	116.7	V113	V113-G115 PolarHBondContact O-N 2.88Å
116	S	31.1	Very low	32	Very low	67 Å²	67	106.6 Å²	106.6	47%	0.469	63%	0.625	S	S	.	*	S	Bend	trans	-103.9	154.2	175.2	56	0	0	0	0	112.4	V113	V113-S116 WeakPolarHBondContact CB-OG 3.17Å; V113-S116 PolarHBondContact O-OG 2.87Å
117	Q	29.3	Very low	31.4	Very low	170 Å²	170	110.1 Å²	110.1	79%	0.794	64%	0.637	S	S	*	*			trans	-62.4	146.6	162.9	-73.5	-178.4	-18.7	0	0	110.1	H119	Q117-H119 PolarHBondContact O-N 3.42Å
118	L	29.7	Very low	30.8	Very low	125 Å²	125	113.3 Å²	113.3	65%	0.654	66%	0.659	S	S	*	*			trans	-68.1	110.7	179.4	-79.4	144.6	0	0	0	110	L91 T109	L91-L118 HydrophobicContact CD1-CD2 4.37Å; T109-L118 HydrophobicContact CG2-CD2 4.44Å
119	H	28.3	Very low	30.7	Very low	178 Å²	178	111.3 Å²	111.3	82%	0.824	65%	0.651	S	S	*	*			trans	-96.3	115.8	166.7	-79.5	-80.5	0	0	0	109.4	Q117	Q117-H119 PolarHBondContact O-N 3.42Å
120	L	31.3	Very low	30.2	Very low	91 Å²	91	118.5 Å²	118.5	48%	0.476	69%	0.689	S	S	.	*			trans	-101.5	141.9	174.2	-89.4	168.3	0	0	0	110.2	T109	T109-L120 HydrophobicContact CG2-CD1 4.38Å; T109-L120 HydrophobicContact CG2-CD2 3.73Å; T109-L120 HydrophobicContact CG2-CG 4.26Å
121	A	28.8	Very low	30.8	Very low	97 Å²	97	113.1 Å²	113.1	80%	0.802	66%	0.663	S	S	*	*			trans	-127.4	108.1	178.1	0	0	0	0	0	110
122	E	30.7	Very low	31.6	Very low	84 Å²	84	113 Å²	113	39%	0.393	66%	0.662	S	S	.	*			trans	-68.1	148.1	163.7	-65.2	170.1	114.7	0	0	109.7	S124 V126 K127	E122-S124 PolarHBondContact O-N 2.84Å; E122-V126 PolarHBondContact OE2-N 3.37Å; E122-K127 PolarHBondContact OE2-N 3.49Å; E122-K127 VanDerWaalsContact OE2-N 3.1Å
123	S	33.8	Very low	32.7	Very low	134 Å²	134	106.6 Å²	106.6	94%	0.937	64%	0.637	S	S	*	*	S	Bend	trans	-70.5	-9.6	172.7	51.6	0	0	0	0	113.2
124	S	28.6	Very low	34.2	Very low	83 Å²	83	105.4 Å²	105.4	58%	0.58	63%	0.627	S	S	*	*	S	Bend	trans	-158.9	129.3	170.1	54.8	0	0	0	0	111.5	E122	E122-S124 PolarHBondContact O-N 2.84Å
125	A	25.6	Very low	36.1	Very low	83 Å²	83	100.1 Å²	100.1	69%	0.686	59%	0.592	S	S	*	*	S	Bend	trans	79.2	61	155.1	0	0	0	0	0	122	K127	A125-K127 PolarHBondContact O-N 2.89Å
126	V	26.7	Very low	38.2	Very low	144 Å²	144	95.8 Å²	95.8	87%	0.873	55%	0.547	S	S	*	.			trans	47.4	64.7	133.7	-164.1	0	0	0	0	116.3	E122	E122-V126 PolarHBondContact OE2-N 3.37Å
127	K	26.5	Very low	40.5	Very low	181 Å²	181	92.6 Å²	92.6	79%	0.787	53%	0.525	S	S	*	.			trans	-153.1	144.8	149.7	-112	160.8	-173.7	178.1	0	113.1	E122 A125	E122-K127 PolarHBondContact OE2-N 3.49Å; E122-K127 VanDerWaalsContact OE2-N 3.1Å; A125-K127 PolarHBondContact O-N 2.89Å
128	S	24.5	Very low	43.2	Very low	97 Å²	97	84.5 Å²	84.5	68%	0.678	49%	0.487	S	S	*	.			trans	-94.6	107.1	179.9	57.9	0	0	0	0	111.4	L130	S128-L130 PolarHBondContact O-N 3.32Å
129	C	35.1	Very low	45.9	Very low	33 Å²	33	80.3 Å²	80.3	22%	0.223	46%	0.463	C	S	.	.			trans	-75.6	101.9	167.3	-61	0	0	0	0	109.1	D96	D96-C129 PolarHBondContact OD2-SG 3.07Å; D96-C129 VanDerWaalsContact OD2-SG 3.38Å
130	L	33	Very low	48.5	Very low	161 Å²	161	73 Å²	73	84%	0.843	43%	0.432	S	S	*	.			trans	-117.6	70.6	-177	-141.7	167.3	0	0	0	108.7	S128	S128-L130 PolarHBondContact O-N 3.32Å
131	T	46.1	Very low	50.8	Low	31 Å²	31	72.7 Å²	72.7	19%	0.19	43%	0.428	C	S	.	.			trans	-113.3	137.8	-172.2	44.5	0	0	0	0	111.4	T94	T94-T131 WeakPolarHBondContact CG2-OG1 3.4Å
132	H	46.3	Very low	53.1	Low	160 Å²	160	71.3 Å²	71.3	74%	0.741	41%	0.41	S	S	*	.			trans	-70.2	136	167.9	-67.3	-64.4	0	0	0	111	N134	H132-N134 PolarHBondContact O-N 2.98Å
133	A	57.4	Low	54.3	Low	14 Å²	14	73.9 Å²	73.9	12%	0.116	43%	0.426	C	S	.	.			trans	-49	123	166.4	0	0	0	0	0	112.1	V84 Y86	V84-A133 HydrophobicContact CG1-CB 4.35Å; V84-A133 CarbonylContact O-C 3.57Å; V84-A133 VanDerWaalsContact O-CA 3.25Å; V84-A133 WeakPolarHBondContact O-CA 3.27Å; Y86-A133 HydrophobicContact CD2-CB 3.83Å; Y86-A133 HydrophobicContact CE2-CB 3.29Å
134	N	62.4	Low	54.6	Low	69 Å²	69	73.7 Å²	73.7	37%	0.369	43%	0.425	S	S	.	.			trans	-105.3	-9.7	-179.5	61.4	4.2	0	0	0	112.9	G82 V84 H132	G82-N134 PolarHBondContact O-ND2 2.83Å; V84-N134 PolarHBondContact N-OD1 2.83Å; V84-N134 PolarHBondContact O-N 3.44Å; V84-N134 PolarHBondContact O-OD1 2.84Å; H132-N134 PolarHBondContact O-N 2.98Å
135	L	69.1	Low	54.8	Low	7 Å²	7	74.1 Å²	74.1	4%	0.037	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.1	178.5	-166	68.6	0	0	0	110.3	W26 R28 F58 V83 V84 F85 V137	W26-L135 HydrophobicContact CB-CD1 4.12Å; W26-L135 HydrophobicContact CB-CG 4.34Å; W26-L135 HydrophobicContact CG-CD1 4.47Å; R28-L135 HydrophobicContact CB-CD1 4.39Å; F58-L135 HydrophobicContact CE1-CD2 4.33Å; F58-L135 HydrophobicContact CZ-CD2 3.95Å; V83-L135 HydrophobicContact CG1-CB 4.09Å; V83-L135 HydrophobicContact CG1-CD2 3.66Å; V84-L135 PolarHBondContact O-N 2.75Å; F85-L135 HydrophobicContact CB-CB 4.44Å; F85-L135 WeakPolarHBondContact CB-O 3.46Å; L135-V137 HydrophobicContact CD2-CG2 3.93Å; L135-V137 HydrophobicContact CG-CG2 4.12Å
136	L	78.6	Confident	55	Low	3 Å²	3	75.4 Å²	75.4	2%	0.016	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.4	162.4	178.8	65.1	0	0	0	108.4	W26 Y27 V30 I32 A38 K41 L49	W26-L136 CarbonylContact C-O 3.53Å; W26-L136 WeakPolarHBondContact CA-O 3.42Å; Y27-L136 HydrophobicContact CD2-CD2 4.2Å; Y27-L136 HydrophobicContact CD2-CG 4.48Å; Y27-L136 PolarHBondContact N-O 3.42Å; Y27-L136 PolarHBondContact O-N 3.5Å; V30-L136 HydrophobicContact CG2-CB 4.49Å; I32-L136 HydrophobicContact CD1-CB 3.72Å; I32-L136 HydrophobicContact CD1-CD1 3.71Å; I32-L136 HydrophobicContact CD1-CD2 3.72Å; I32-L136 HydrophobicContact CD1-CG 3.9Å; A38-L136 HydrophobicContact CB-CD1 3.92Å; K41-L136 HydrophobicContact CB-CD2 4.1Å; K41-L136 HydrophobicContact CG-CD2 3.58Å; L49-L136 HydrophobicContact CD2-CD1 4Å
137	V	79.9	Confident	55.3	Low	0 Å²	0	75.6 Å²	75.6	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.4	170.9	-171.3	0	0	0	0	108.1	F24 T25 W26 P50 F58 F85 L135	F24-V137 HydrophobicContact CD1-CG1 4.43Å; T25-V137 WeakPolarHBondContact O-CA 3.42Å; W26-V137 HydrophobicContact CB-CG2 4.43Å; P50-V137 WeakPolarHBondContact CD-O 3.43Å; P50-V137 HydrophobicContact CG-CB 4.02Å; P50-V137 HydrophobicContact CG-CG1 3.88Å; F58-V137 HydrophobicContact CD1-CG2 4.39Å; F58-V137 HydrophobicContact CD2-CG1 3.81Å; F58-V137 HydrophobicContact CE1-CG1 4.34Å; F58-V137 HydrophobicContact CE1-CG2 3.61Å; F58-V137 HydrophobicContact CE2-CB 4.5Å; F58-V137 HydrophobicContact CE2-CG1 3.63Å; F58-V137 HydrophobicContact CE2-CG2 3.98Å; F58-V137 HydrophobicContact CG-CG1 4.26Å; F58-V137 HydrophobicContact CZ-CB 4.33Å; F58-V137 HydrophobicContact CZ-CG1 3.93Å; F58-V137 HydrophobicContact CZ-CG2 3.38Å; F85-V137 HydrophobicContact CB-CG2 4.3Å; F85-V137 HydrophobicContact CD2-CB 4.19Å; F85-V137 HydrophobicContact CD2-CG2 3.67Å; F85-V137 HydrophobicContact CE2-CG2 4.05Å; F85-V137 HydrophobicContact CG-CG2 4.12Å; L135-V137 HydrophobicContact CD2-CG2 3.93Å; L135-V137 HydrophobicContact CG-CG2 4.12Å
138	C	85.5	Confident	55.4	Low	0 Å²	0	73 Å²	73	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.4	174.9	-59.4	0	0	0	0	110.2	F24 T25 C42 L48	F24-C138 CarbonylContact C-O 3.56Å; F24-C138 WeakPolarHBondContact CA-O 3.42Å; T25-C138 PolarHBondContact N-O 3.47Å; T25-C138 PolarHBondContact O-N 3.28Å; C42-C138 WeakPolarHBondContact CA-SG 3.28Å; C42-C138 HydrophobicContact CB-CB 3.88Å; C42-C138 WeakPolarHBondContact CB-SG 3.49Å; C42-C138 VanDerWaalsContact SG-CA 3.53Å; C42-C138 WeakPolarHBondContact SG-CB 3.19Å; C42-C138 CovalentContact SG-SG 2.05Å; C42-C138 PolarHBondContact SG-SG 3.38Å; L48-C138 CarbonylContact O-C 3.43Å; L48-C138 WeakPolarHBondContact O-CA 3.31Å
139	K	85	Confident	55.7	Low	37 Å²	37	75.2 Å²	75.2	16%	0.161	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.1	-174.6	176.7	178.6	158.5	175	0	109.6	V22 N23 F24 S47 L48 P50 D54	V22-K139 HydrophobicContact CG1-CD 3.72Å; V22-K139 HydrophobicContact CG1-CG 3.38Å; N23-K139 WeakPolarHBondContact O-CA 3.28Å; F24-K139 HydrophobicContact CE1-CD 4.35Å; F24-K139 HydrophobicContact CE1-CG 4.43Å; S47-K139 CarbonylContact C-O 3.54Å; S47-K139 WeakPolarHBondContact CA-O 3.41Å; S47-K139 WeakPolarHBondContact CB-O 3.26Å; L48-K139 PolarHBondContact N-O 3.23Å; L48-K139 WeakPolarHBondContact O-CB 3.22Å; L48-K139 PolarHBondContact O-N 3.48Å; P50-K139 HydrophobicContact CB-CB 4.43Å; D54-K139 HydrophobicContact CB-CD 4.43Å; D54-K139 IonicContact OD1-NZ 3.22Å; D54-K139 PolarHBondContact OD1-NZ 3.29Å; D54-K139 VanDerWaalsContact OD2-CD 3.24Å; D54-K139 WeakPolarHBondContact OD2-CD 3.3Å; D54-K139 IonicContact OD2-NZ 2.77Å; D54-K139 PolarHBondContact OD2-NZ 3.43Å
140	S	84	Confident	55.5	Low	25 Å²	25	83.2 Å²	83.2	18%	0.175	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142	170.2	38.4	0	0	0	0	110.7	N23	N23-S140 PolarHBondContact N-O 3.39Å; N23-S140 PolarHBondContact O-N 2.98Å; N23-S140 PolarHBondContact O-OG 2.93Å
141	E	80.5	Confident	55.5	Low	84 Å²	84	82.3 Å²	82.3	39%	0.393	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.5	165.8	-64	-160.1	144.1	0	0	108.1	R20 D143	R20-E141 IonicContact NH1-OE1 2.65Å; R20-E141 PolarHBondContact NH1-OE1 3.09Å; R20-E141 IonicContact NH1-OE2 3.7Å; E141-D143 PolarHBondContact O-N 3.3Å
142	V	75.6	Confident	54.9	Low	68 Å²	68	87.9 Å²	87.9	41%	0.412	49%	0.488	S	S	.	.			trans	-88.1	102.2	177.3	-177.8	0	0	0	0	107.8	V12 R21 N23 S144	V12-V142 HydrophobicContact CG1-CG2 4.25Å; V12-V142 HydrophobicContact CG2-CG2 4.4Å; R21-V142 HydrophobicContact CB-CB 4.1Å; R21-V142 HydrophobicContact CB-CG2 4.48Å; R21-V142 PolarHBondContact O-N 3.37Å; N23-V142 HydrophobicContact CB-CG2 3.73Å; V142-S144 PolarHBondContact O-N 3.43Å; V142-S144 VanDerWaalsContact O-N 3.17Å
143	D	55.4	Low	54.3	Low	138 Å²	138	87 Å²	87	74%	0.738	49%	0.489	S	S	*	.			trans	-48.9	117.9	-174.8	-85	-40.8	0	0	0	112.9	E141 S145	E141-D143 PolarHBondContact O-N 3.3Å; D143-S145 PolarHBondContact O-N 3.16Å
144	S	41.3	Very low	53.1	Low	130 Å²	130	91 Å²	91	91%	0.909	52%	0.516	S	S	*	.			trans	-75.7	64.5	164.1	57.9	0	0	0	0	110.1	V142	V142-S144 PolarHBondContact O-N 3.43Å; V142-S144 VanDerWaalsContact O-N 3.17Å
145	S	33.5	Very low	51.8	Low	91 Å²	91	98.8 Å²	98.8	64%	0.636	54%	0.542	S	S	*	.			trans	-91.2	140.4	170.5	58	0	0	0	0	110.1	D143	D143-S145 PolarHBondContact O-N 3.16Å
146	S	29.5	Very low	50.1	Low	110 Å²	110	103.7 Å²	103.7	77%	0.769	57%	0.574	S	S	*	*			trans	68	79.9	179.4	69.2	0	0	0	0	118.8
147	V	32.7	Very low	48	Very low	148 Å²	148	111.4 Å²	111.4	90%	0.897	61%	0.61	S	S	*	*				-138.5	92.3	126.2	-174.2	0	0	0	0	108.4
148	T	28	Very low	45.9	Very low	128 Å²	128	117.7 Å²	117.7	79%	0.785	64%	0.641	S	S	*	*			trans	-100.2	106.5	164.9	46.7	0	0	0	0	108.3
149	N	31.4	Very low	43.3	Very low	142 Å²	142	119 Å²	119	76%	0.759	65%	0.649	S	S	*	*			trans	-170.7	117.4	150	-101.7	-11.1	0	0	0	111.7
150	Y	31.1	Very low	40.7	Very low	201 Å²	201	121 Å²	121	79%	0.788	66%	0.662	S	S	*	*			trans	48.4	132.4	145.5	-74.6	-89.4	0	0	0	122.9
151	D	32.7	Very low	38.4	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	68%	0.682	S	S	*	*			trans	90.2	126.7	151.4	-54.1	-25.6	0	0	0	121
152	D	33.3	Very low	36.3	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	68%	0.682	S	S	*	*			trans	63.3	129	170.3	-64.6	-21.6	0	0	0	123.3
153	D	34.7	Very low	34.4	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	69%	0.69	S	S	*	*			trans	62.5	69.6	151	-62.5	-13.8	0	0	0	120.9
154	S	31.4	Very low	33.5	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	70%	0.7	S	S	*	*				33.6	102.6	122.6	64	0	0	0	0	119.4
155	Y	34.2	Very low	33.1	Very low	233 Å²	233	129.1 Å²	129.1	91%	0.914	68%	0.684	S	S	*	*			trans	-161	129.6	133.9	-100	-70.3	0	0	0	111.2
156	P	34.9	Very low	33.3	Very low	110 Å²	110	129.3 Å²	129.3	71%	0.714	67%	0.67	S	S	*	*			trans	-91.6	133.4	-168.8	33.5	-34.7	0	0	0	115.6
157	H	34.6	Very low	33.3	Very low	166 Å²	166	130.8 Å²	130.8	77%	0.769	66%	0.663	S	S	*	*			trans	35.9	113.5	150.2	-65.9	-74.2	0	0	0	120.7
158	M	35.9	Very low	33.5	Very low	132 Å²	132	125 Å²	125	65%	0.65	63%	0.633	S	S	*	*			trans	-114.7	112	158.4	-70.4	-152.5	96.5	0	0	114	F462	M158-F462 HydrophobicContact CE-CE2 4.13Å
159	C	29.7	Very low	34.2	Very low	26 Å²	26	123.8 Å²	123.8	18%	0.176	63%	0.628	C	S	.	*			trans	47.7	100.4	143.2	-55.9	0	0	0	0	119.8	R20 F161	R20-C159 PolarHBondContact NH2-O 2.73Å; C159-F161 HydrophobicContact CB-CD2 3.9Å; C159-F161 HydrophobicContact CB-CE2 3.58Å; C159-F161 HydrophobicContact CB-CZ 4.4Å
160	N	31.4	Very low	35	Very low	80 Å²	80	118.6 Å²	118.6	43%	0.428	60%	0.599	S	S	.	*	B	Isolated β-bridge	trans	-83.3	128.9	148.6	-98.5	8.1	0	0	0	110.2	R20	R20-N160 PolarHBondContact NH1-OD1 3.02Å; R20-N160 PolarHBondContact NH2-OD1 3.11Å
161	F	35.8	Very low	36.3	Very low	135 Å²	135	111.2 Å²	111.2	59%	0.592	58%	0.576	S	S	*	*			trans	-106.7	17.7	-174	-91	-78.3	0	0	0	113.7	C159 W166	C159-F161 HydrophobicContact CB-CD2 3.9Å; C159-F161 HydrophobicContact CB-CE2 3.58Å; C159-F161 HydrophobicContact CB-CZ 4.4Å; F161-W166 HydrophobicContact CE1-CH2 4.02Å; F161-W166 HydrophobicContact CE1-CZ3 4.35Å
162	V	34.7	Very low	37.8	Very low	65 Å²	65	113.5 Å²	113.5	39%	0.394	58%	0.58	S	S	.	*	S	Bend	trans	-130.7	68.9	-172.7	-169	0	0	0	0	109.9	L48	L48-V162 HydrophobicContact CD1-CG1 3.4Å; L48-V162 VanDerWaalsContact CD1-CG1 3.4Å
163	D	35.9	Very low	39.4	Very low	110 Å²	110	110.9 Å²	110.9	59%	0.588	56%	0.558	S	S	*	*	S	Bend	trans	-177.7	158.7	159.3	-111.1	-6.2	0	0	0	107.3	K165	D163-K165 HydrophobicContact CB-CB 4.14Å; D163-K165 PolarHBondContact O-N 3.29Å
164	D	37	Very low	40.9	Very low	176 Å²	176	104.4 Å²	104.4	94%	0.941	52%	0.524	S	S	*	.	S	Bend	trans	-69	13.1	165	-78.5	-43.6	0	0	0	112.8
165	K	33.7	Very low	42.5	Very low	130 Å²	130	103.8 Å²	103.8	57%	0.565	51%	0.512	S	S	*	.	S	Bend	trans	-110.4	102.6	171.4	-63.4	171.8	-175.1	160.9	0	109.2	D163 F167	D163-K165 HydrophobicContact CB-CB 4.14Å; D163-K165 PolarHBondContact O-N 3.29Å; K165-F167 HydrophobicContact CB-CD2 3.86Å; K165-F167 HydrophobicContact CB-CE2 3.49Å; K165-F167 VanDerWaalsContact CB-CE2 3.49Å; K165-F167 HydrophobicContact CB-CZ 4.26Å; K165-F167 HydrophobicContact CD-CE2 3.77Å; K165-F167 HydrophobicContact CD-CZ 4.17Å; K165-F167 HydrophobicContact CG-CE2 4.27Å; K165-F167 WeakPolarHBondContact O-CD2 3.31Å; K165-F167 PolarHBondContact O-N 2.79Å
166	W	37	Very low	44	Very low	94 Å²	94	96 Å²	96	36%	0.356	49%	0.487	S	S	.	.			trans	-66.5	96.2	170.8	-81.4	71	0	0	0	110.8	F161 G168 L170 I174 W474	F161-W166 HydrophobicContact CE1-CH2 4.02Å; F161-W166 HydrophobicContact CE1-CZ3 4.35Å; W166-G168 PolarHBondContact O-N 3.24Å; W166-L170 HydrophobicContact CB-CD1 3.56Å; W166-L170 HydrophobicContact CD2-CD1 3.88Å; W166-L170 HydrophobicContact CD2-CG 3.91Å; W166-L170 HydrophobicContact CE3-CD1 3.79Å; W166-L170 HydrophobicContact CE3-CG 3.64Å; W166-L170 HydrophobicContact CG-CD1 3.83Å; W166-L170 HydrophobicContact CG-CG 4.33Å; W166-L170 HydrophobicContact CZ3-CG 4.17Å; W166-I174 HydrophobicContact CH2-CD1 3.78Å; W166-I174 HydrophobicContact CZ2-CD1 4.41Å; W166-I174 HydrophobicContact CZ3-CD1 4.45Å; W166-W474 AromaticContact CZ2-CH2 3.67Å; W166-W474 HydrophobicContact CZ2-CH2 3.67Å; W166-W474 AromaticContact CZ2-CZ2 3.83Å; W166-W474 HydrophobicContact CZ2-CZ2 3.83Å
167	F	28.6	Very low	45.2	Very low	142 Å²	142	92.1 Å²	92.1	62%	0.623	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-91.6	91.9	169.6	-73.4	-74.3	0	0	0	110.3	K165	K165-F167 HydrophobicContact CB-CD2 3.86Å; K165-F167 HydrophobicContact CB-CE2 3.49Å; K165-F167 VanDerWaalsContact CB-CE2 3.49Å; K165-F167 HydrophobicContact CB-CZ 4.26Å; K165-F167 HydrophobicContact CD-CE2 3.77Å; K165-F167 HydrophobicContact CD-CZ 4.17Å; K165-F167 HydrophobicContact CG-CE2 4.27Å; K165-F167 WeakPolarHBondContact O-CD2 3.31Å; K165-F167 PolarHBondContact O-N 2.79Å
168	G	37.3	Very low	46.7	Very low	25 Å²	25	89 Å²	89	26%	0.258	44%	0.444	S	S	.	.	S	Bend	trans	153.3	154.6	179.5	0	0	0	0	0	110	W166 L170	W166-G168 PolarHBondContact O-N 3.24Å; G168-L170 PolarHBondContact O-N 3.47Å
169	P	43.2	Very low	48.1	Very low	104 Å²	104	89.1 Å²	89.1	68%	0.675	44%	0.443	S	S	*	.			trans	-61.3	115.1	174.2	26.2	-32.6	0	0	0	108.8
170	L	48.2	Very low	49.6	Very low	32 Å²	32	91.6 Å²	91.6	17%	0.168	45%	0.451	C	S	.	.			trans	-53	136.9	173.6	-90.2	74.5	0	0	0	108.6	W166 G168 K172 I174 L175	W166-L170 HydrophobicContact CB-CD1 3.56Å; W166-L170 HydrophobicContact CD2-CD1 3.88Å; W166-L170 HydrophobicContact CD2-CG 3.91Å; W166-L170 HydrophobicContact CE3-CD1 3.79Å; W166-L170 HydrophobicContact CE3-CG 3.64Å; W166-L170 HydrophobicContact CG-CD1 3.83Å; W166-L170 HydrophobicContact CG-CG 4.33Å; W166-L170 HydrophobicContact CZ3-CG 4.17Å; G168-L170 PolarHBondContact O-N 3.47Å; L170-K172 PolarHBondContact O-N 3Å; L170-I174 HydrophobicContact CD2-CB 4.4Å; L170-I174 HydrophobicContact CD2-CG2 3.89Å; L170-L175 HydrophobicContact CB-CD1 4.14Å; L170-L175 HydrophobicContact CB-CD2 3.95Å; L170-L175 HydrophobicContact CB-CG 3.61Å; L170-L175 HydrophobicContact CD2-CD2 4.23Å; L170-L175 HydrophobicContact CD2-CG 4.5Å; L170-L175 WeakPolarHBondContact O-CD1 3.2Å
171	P	57.5	Low	50.9	Low	47 Å²	47	88.8 Å²	88.8	31%	0.305	44%	0.438	S	S	.	.			trans	-49.7	137.3	173.6	-26	32.4	0	0	0	110.3	W173 I174 L175	P171-W173 HydrophobicContact CB-CG 4.44Å; P171-W173 PolarHBondContact O-N 3.27Å; P171-I174 HydrophobicContact CB-CD1 4.48Å; P171-I174 HydrophobicContact CB-CG1 4.24Å; P171-I174 HydrophobicContact CG-CD1 4.03Å; P171-I174 HydrophobicContact CG-CG1 4.33Å; P171-I174 WeakPolarHBondContact O-CA 3.23Å; P171-I174 PolarHBondContact O-N 3.24Å; P171-L175 PolarHBondContact O-N 3.49Å; P171-L175 VanDerWaalsContact O-N 3.11Å
172	K	65.9	Low	52.1	Low	190 Å²	190	88 Å²	88	83%	0.826	44%	0.437	S	S	*	.	H	α-helix	trans	-48.9	-39.1	-173.7	-75.4	-178	178.6	174.6	0	112.3	L170 I174 L175 D176	L170-K172 PolarHBondContact O-N 3Å; K172-I174 PolarHBondContact O-N 3.49Å; K172-L175 PolarHBondContact O-N 2.79Å; K172-D176 WeakPolarHBondContact O-CB 3.37Å; K172-D176 PolarHBondContact O-N 2.89Å
173	W	66.1	Low	53	Low	92 Å²	92	89 Å²	89	35%	0.348	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-31.8	177.4	71.2	-93.2	0	0	0	114.5	P171 D176 L177 W467 I475	P171-W173 HydrophobicContact CB-CG 4.44Å; P171-W173 PolarHBondContact O-N 3.27Å; W173-D176 WeakPolarHBondContact O-CB 3.4Å; W173-L177 HydrophobicContact CE3-CD1 3.52Å; W173-L177 HydrophobicContact CE3-CG 4.41Å; W173-L177 HydrophobicContact CZ3-CD1 3.53Å; W173-L177 WeakPolarHBondContact O-CB 3.45Å; W173-L177 VanDerWaalsContact O-CG 3.28Å; W173-L177 WeakPolarHBondContact O-CG 3.35Å; W173-L177 PolarHBondContact O-N 3.43Å; W173-W467 AromaticContact CZ2-CE2 3.75Å; W173-W467 AromaticContact CZ2-CZ2 3.81Å; W173-W467 HydrophobicContact CZ2-CZ2 3.81Å; W173-W467 AromaticContact CZ2-NE1 3.42Å; W173-I475 HydrophobicContact CH2-CG2 4.39Å; W173-I475 HydrophobicContact CZ3-CG2 4.35Å
174	I	65.4	Low	53.7	Low	6 Å²	6	90.3 Å²	90.3	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-76.4	-37.9	174	-51.8	-174.1	0	0	0	110.5	W166 L170 P171 K172 D176 L177 K178 W474	W166-I174 HydrophobicContact CH2-CD1 3.78Å; W166-I174 HydrophobicContact CZ2-CD1 4.41Å; W166-I174 HydrophobicContact CZ3-CD1 4.45Å; L170-I174 HydrophobicContact CD2-CB 4.4Å; L170-I174 HydrophobicContact CD2-CG2 3.89Å; P171-I174 HydrophobicContact CB-CD1 4.48Å; P171-I174 HydrophobicContact CB-CG1 4.24Å; P171-I174 HydrophobicContact CG-CD1 4.03Å; P171-I174 HydrophobicContact CG-CG1 4.33Å; P171-I174 WeakPolarHBondContact O-CA 3.23Å; P171-I174 PolarHBondContact O-N 3.24Å; K172-I174 PolarHBondContact O-N 3.49Å; I174-D176 VanDerWaalsContact C-N 3.31Å; I174-L177 PolarHBondContact O-N 3.3Å; I174-K178 VanDerWaalsContact O-CB 3.29Å; I174-K178 WeakPolarHBondContact O-CB 3.31Å; I174-K178 PolarHBondContact O-N 2.89Å; I174-W474 HydrophobicContact CG2-CH2 4.38Å; I174-W474 HydrophobicContact CG2-CZ3 4.35Å
175	L	65.4	Low	54.5	Low	84 Å²	84	89.6 Å²	89.6	44%	0.44	42%	0.424	S	S	.	.	H	α-helix	trans	-59.2	-45.7	169.1	-75.5	166.5	0	0	0	110.6	L170 P171 K172 L177 K178 Q179	L170-L175 HydrophobicContact CB-CD1 4.14Å; L170-L175 HydrophobicContact CB-CD2 3.95Å; L170-L175 HydrophobicContact CB-CG 3.61Å; L170-L175 HydrophobicContact CD2-CD2 4.23Å; L170-L175 HydrophobicContact CD2-CG 4.5Å; L170-L175 WeakPolarHBondContact O-CD1 3.2Å; P171-L175 PolarHBondContact O-N 3.49Å; P171-L175 VanDerWaalsContact O-N 3.11Å; K172-L175 PolarHBondContact O-N 2.79Å; L175-L177 PolarHBondContact O-N 2.92Å; L175-K178 PolarHBondContact O-N 2.9Å; L175-Q179 VanDerWaalsContact O-CB 3.23Å; L175-Q179 WeakPolarHBondContact O-CB 3.41Å; L175-Q179 PolarHBondContact O-N 3.38Å
176	D	66.1	Low	55.7	Low	71 Å²	71	87.8 Å²	87.8	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-46.1	175.1	-122.6	45.9	0	0	0	111.4	K172 W173 I174 K180	K172-D176 WeakPolarHBondContact O-CB 3.37Å; K172-D176 PolarHBondContact O-N 2.89Å; W173-D176 WeakPolarHBondContact O-CB 3.4Å; I174-D176 VanDerWaalsContact C-N 3.31Å; D176-K180 WeakPolarHBondContact O-CB 3.46Å; D176-K180 WeakPolarHBondContact O-CD 3.34Å; D176-K180 WeakPolarHBondContact O-CG 3.25Å; D176-K180 PolarHBondContact O-N 3.48Å; D176-K180 VanDerWaalsContact OD2-CE 3.23Å; D176-K180 WeakPolarHBondContact OD2-CE 3.26Å; D176-K180 IonicContact OD2-NZ 3.86Å; D176-K180 PolarHBondContact OD2-NZ 2.85Å
177	L	59.5	Low	56.7	Low	27 Å²	27	84.9 Å²	84.9	14%	0.141	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-42.1	176.1	-77.2	175.3	0	0	0	112.3	W173 I174 L175 K180 A181 A482	W173-L177 HydrophobicContact CE3-CD1 3.52Å; W173-L177 HydrophobicContact CE3-CG 4.41Å; W173-L177 HydrophobicContact CZ3-CD1 3.53Å; W173-L177 WeakPolarHBondContact O-CB 3.45Å; W173-L177 VanDerWaalsContact O-CG 3.28Å; W173-L177 WeakPolarHBondContact O-CG 3.35Å; W173-L177 PolarHBondContact O-N 3.43Å; I174-L177 PolarHBondContact O-N 3.3Å; L175-L177 PolarHBondContact O-N 2.92Å; L177-K180 CarbonylContact O-C 3.31Å; L177-K180 PolarHBondContact O-N 3.5Å; L177-A181 VanDerWaalsContact O-CB 3.22Å; L177-A181 WeakPolarHBondContact O-CB 3.19Å; L177-A181 PolarHBondContact O-N 3.31Å; L177-A482 HydrophobicContact CD2-CB 3.36Å
178	K	65.7	Low	58.6	Low	102 Å²	102	80.4 Å²	80.4	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-47.4	178.3	-175.7	174.6	173.5	179.4	0	110.7	I174 L175 K180 A181 E182	I174-K178 VanDerWaalsContact O-CB 3.29Å; I174-K178 WeakPolarHBondContact O-CB 3.31Å; I174-K178 PolarHBondContact O-N 2.89Å; L175-K178 PolarHBondContact O-N 2.9Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 2.86Å; K178-A181 PolarHBondContact O-N 3.28Å; K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 HydrophobicContact CG-CG 4.41Å; K178-E182 IonicContact NZ-OE1 3.34Å; K178-E182 PolarHBondContact O-N 2.86Å
179	Q	65.4	Low	60.1	Low	134 Å²	134	81.3 Å²	81.3	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-63.2	-36.1	174.3	-167.2	179.6	17.1	0	0	112	L175 A181	L175-Q179 VanDerWaalsContact O-CB 3.23Å; L175-Q179 WeakPolarHBondContact O-CB 3.41Å; L175-Q179 PolarHBondContact O-N 3.38Å; Q179-A181 VanDerWaalsContact C-N 3.33Å
180	K	62.6	Low	61.2	Low	78 Å²	78	78.6 Å²	78.6	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-28.9	172.1	-75.2	161.7	-176	164.8	0	112.7	D176 L177 K178 F183	D176-K180 WeakPolarHBondContact O-CB 3.46Å; D176-K180 WeakPolarHBondContact O-CD 3.34Å; D176-K180 WeakPolarHBondContact O-CG 3.25Å; D176-K180 PolarHBondContact O-N 3.48Å; D176-K180 VanDerWaalsContact OD2-CE 3.23Å; D176-K180 WeakPolarHBondContact OD2-CE 3.26Å; D176-K180 IonicContact OD2-NZ 3.86Å; D176-K180 PolarHBondContact OD2-NZ 2.85Å; L177-K180 CarbonylContact O-C 3.31Å; L177-K180 PolarHBondContact O-N 3.5Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 2.86Å; K180-F183 WeakPolarHBondContact O-CB 3.42Å
181	A	58.9	Low	62.5	Low	20 Å²	20	82.6 Å²	82.6	17%	0.165	39%	0.39	C	S	.	.	H	α-helix	trans	-90.2	-40.7	-177.1	0	0	0	0	0	114.3	L177 K178 Q179 F183 R184 L478	L177-A181 VanDerWaalsContact O-CB 3.22Å; L177-A181 WeakPolarHBondContact O-CB 3.19Å; L177-A181 PolarHBondContact O-N 3.31Å; K178-A181 PolarHBondContact O-N 3.28Å; Q179-A181 VanDerWaalsContact C-N 3.33Å; A181-F183 PolarHBondContact O-N 2.76Å; A181-F183 VanDerWaalsContact O-N 3.15Å; A181-R184 PolarHBondContact O-N 2.68Å; A181-R184 VanDerWaalsContact O-N 3.11Å; A181-L478 HydrophobicContact CB-CD2 3.37Å
182	E	60.9	Low	63.2	Low	120 Å²	120	84.7 Å²	84.7	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-57.7	-26.9	173.8	-77.1	175.2	172.8	0	0	111.7	K178 R184 Q185	K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 HydrophobicContact CG-CG 4.41Å; K178-E182 IonicContact NZ-OE1 3.34Å; K178-E182 PolarHBondContact O-N 2.86Å; E182-R184 PolarHBondContact O-N 2.86Å; E182-Q185 PolarHBondContact O-N 3.35Å
183	F	52.5	Low	63.5	Low	84 Å²	84	81 Å²	81	37%	0.368	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-50.1	-24.6	172.7	-146.4	-107.6	0	0	0	114.5	K180 A181 Q185 D186 H187 C490	K180-F183 WeakPolarHBondContact O-CB 3.42Å; A181-F183 PolarHBondContact O-N 2.76Å; A181-F183 VanDerWaalsContact O-N 3.15Å; F183-Q185 VanDerWaalsContact C-N 3.29Å; F183-Q185 PolarHBondContact O-N 3.1Å; F183-D186 PolarHBondContact O-N 3.32Å; F183-H187 HydrophobicContact CD1-CB 3.99Å; F183-H187 AromaticContact CD1-CD2 3.93Å; F183-H187 AromaticContact CD1-CE1 3.9Å; F183-H187 AromaticContact CD1-CG 3.49Å; F183-H187 VanDerWaalsContact CD1-CG 3.49Å; F183-H187 AromaticContact CD1-ND1 3.45Å; F183-H187 WeakPolarHBondContact CD1-ND1 3.32Å; F183-H187 AromaticContact CD2-CE1 3.8Å; F183-H187 AromaticContact CD2-ND1 3.98Å; F183-H187 HydrophobicContact CE1-CB 4.07Å; F183-H187 AromaticContact CE1-CD2 3.26Å; F183-H187 WeakPolarHBondContact CE1-CD2 3.46Å; F183-H187 AromaticContact CE1-CE1 3.65Å; F183-H187 AromaticContact CE1-CG 3.33Å; F183-H187 AromaticContact CE1-ND1 3.55Å; F183-H187 AromaticContact CE1-NE2 3.52Å; F183-H187 AromaticContact CE2-CE1 3.52Å; F183-H187 AromaticContact CE2-NE2 3.73Å; F183-H187 AromaticContact CG-CE1 3.98Å; F183-H187 AromaticContact CG-ND1 3.69Å; F183-H187 AromaticContact CZ-CD2 3.51Å; F183-H187 AromaticContact CZ-CE1 3.45Å; F183-H187 VanDerWaalsContact CZ-CE1 3.45Å; F183-H187 WeakPolarHBondContact CZ-CE1 3.26Å; F183-H187 AromaticContact CZ-CG 3.92Å; F183-H187 AromaticContact CZ-ND1 3.85Å; F183-H187 AromaticContact CZ-NE2 3.23Å; F183-H187 WeakPolarHBondContact CZ-NE2 3.29Å; F183-H187 PolarHBondContact O-ND1 3.42Å; F183-C490 HydrophobicContact CE1-CB 4.44Å
184	R	51.3	Low	63.8	Low	139 Å²	139	81.1 Å²	81.1	53%	0.525	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-63.3	-24.9	-179.8	-88.3	-163.7	177.4	-155	1.2	115	A181 E182 D186	A181-R184 PolarHBondContact O-N 2.68Å; A181-R184 VanDerWaalsContact O-N 3.11Å; E182-R184 PolarHBondContact O-N 2.86Å; R184-D186 VanDerWaalsContact C-N 3.29Å; R184-D186 PolarHBondContact O-N 3.12Å
185	Q	54	Low	64.4	Low	161 Å²	161	84 Å²	84	75%	0.752	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-71	-26	-176.5	-72.9	-177.3	-15.8	0	0	112.7	E182 F183 K493	E182-Q185 PolarHBondContact O-N 3.35Å; F183-Q185 VanDerWaalsContact C-N 3.29Å; F183-Q185 PolarHBondContact O-N 3.1Å; Q185-K493 WeakPolarHBondContact O-CE 3.5Å; Q185-K493 PolarHBondContact O-NZ 3.16Å
186	D	58.1	Low	64.7	Low	92 Å²	92	87.1 Å²	87.1	49%	0.492	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-1	-172.6	-86.3	-7.4	0	0	0	116	F183 R184 K493	F183-D186 PolarHBondContact O-N 3.32Å; R184-D186 VanDerWaalsContact C-N 3.29Å; R184-D186 PolarHBondContact O-N 3.12Å; D186-K493 WeakPolarHBondContact O-CB 3.36Å; D186-K493 VanDerWaalsContact O-CG 3.29Å; D186-K493 WeakPolarHBondContact O-CG 3.41Å; D186-K493 PolarHBondContact O-N 3.47Å
187	H	59	Low	65.3	Low	32 Å²	32	88 Å²	88	15%	0.148	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	-168.5	-61	79.2	0	0	0	112.8	F183 C490 L491 K492	F183-H187 HydrophobicContact CD1-CB 3.99Å; F183-H187 AromaticContact CD1-CD2 3.93Å; F183-H187 AromaticContact CD1-CE1 3.9Å; F183-H187 AromaticContact CD1-CG 3.49Å; F183-H187 VanDerWaalsContact CD1-CG 3.49Å; F183-H187 AromaticContact CD1-ND1 3.45Å; F183-H187 WeakPolarHBondContact CD1-ND1 3.32Å; F183-H187 AromaticContact CD2-CE1 3.8Å; F183-H187 AromaticContact CD2-ND1 3.98Å; F183-H187 HydrophobicContact CE1-CB 4.07Å; F183-H187 AromaticContact CE1-CD2 3.26Å; F183-H187 WeakPolarHBondContact CE1-CD2 3.46Å; F183-H187 AromaticContact CE1-CE1 3.65Å; F183-H187 AromaticContact CE1-CG 3.33Å; F183-H187 AromaticContact CE1-ND1 3.55Å; F183-H187 AromaticContact CE1-NE2 3.52Å; F183-H187 AromaticContact CE2-CE1 3.52Å; F183-H187 AromaticContact CE2-NE2 3.73Å; F183-H187 AromaticContact CG-CE1 3.98Å; F183-H187 AromaticContact CG-ND1 3.69Å; F183-H187 AromaticContact CZ-CD2 3.51Å; F183-H187 AromaticContact CZ-CE1 3.45Å; F183-H187 VanDerWaalsContact CZ-CE1 3.45Å; F183-H187 WeakPolarHBondContact CZ-CE1 3.26Å; F183-H187 AromaticContact CZ-CG 3.92Å; F183-H187 AromaticContact CZ-ND1 3.85Å; F183-H187 AromaticContact CZ-NE2 3.23Å; F183-H187 WeakPolarHBondContact CZ-NE2 3.29Å; F183-H187 PolarHBondContact O-ND1 3.42Å; H187-C490 HydrophobicContact CB-CB 4.37Å; H187-L491 CarbonylContact C-O 3.55Å; H187-L491 VanDerWaalsContact CA-O 3.31Å; H187-L491 WeakPolarHBondContact CA-O 3.44Å; H187-K492 WeakPolarHBondContact CD2-CA 3.24Å; H187-K492 PolarHBondContact CD2-N 3.35Å
188	I	66.9	Low	66.1	Low	49 Å²	49	90.1 Å²	90.1	25%	0.251	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117	172	-62.3	170.3	0	0	0	106.8	C490 L491 K493 F496	I188-C490 WeakPolarHBondContact O-CA 3.37Å; I188-L491 PolarHBondContact N-O 2.92Å; I188-L491 PolarHBondContact O-N 2.84Å; I188-K493 HydrophobicContact CD1-CG 4.12Å; I188-K493 HydrophobicContact CG1-CG 3.9Å; I188-F496 HydrophobicContact CD1-CB 4.22Å; I188-F496 HydrophobicContact CD1-CD1 3.59Å; I188-F496 HydrophobicContact CD1-CE1 4.18Å; I188-F496 HydrophobicContact CD1-CG 3.98Å
189	C	68.7	Low	66.7	Low	44 Å²	44	87.3 Å²	87.3	30%	0.297	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.9	-179.6	-61.3	0	0	0	0	110.6	F484 H488 I489 C490	C189-F484 HydrophobicContact CB-CE1 4.16Å; C189-H488 HydrophobicContact CB-CB 4.31Å; C189-I489 WeakPolarHBondContact CA-O 3.38Å; C189-C490 HydrophobicContact CB-CB 4.15Å; C189-C490 WeakPolarHBondContact CB-SG 3.43Å; C189-C490 WeakPolarHBondContact SG-CB 3.35Å; C189-C490 CovalentContact SG-SG 2.05Å; C189-C490 PolarHBondContact SG-SG 3.13Å
190	L	67.6	Low	67.2	Low	46 Å²	46	85 Å²	85	24%	0.241	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.5	175.1	-72.5	164.4	0	0	0	109.7	K192 L194 F195 H488 I489 F496	L190-K192 PolarHBondContact O-N 2.91Å; L190-L194 HydrophobicContact CD2-CD2 3.92Å; L190-F195 HydrophobicContact CB-CB 4.49Å; L190-F195 HydrophobicContact CD1-CD2 4.46Å; L190-H488 CarbonylContact O-C 3.47Å; L190-H488 WeakPolarHBondContact O-CA 3.4Å; L190-I489 PolarHBondContact N-O 2.77Å; L190-I489 PolarHBondContact O-N 2.88Å; L190-F496 HydrophobicContact CD1-CE2 4.24Å
191	K	74.4	Confident	68	Low	117 Å²	117	84.4 Å²	84.4	51%	0.509	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	133.5	172.6	-170.3	171.6	-174.3	173	0	108.9	L193 L194 F195 H488	K191-L193 PolarHBondContact O-N 3.07Å; K191-L193 VanDerWaalsContact O-N 3.12Å; K191-L194 HydrophobicContact CB-CB 4.49Å; K191-L194 PolarHBondContact O-N 2.98Å; K191-F195 PolarHBondContact O-N 3.43Å; K191-F195 VanDerWaalsContact O-N 3.13Å; K191-H488 VanDerWaalsContact CA-CD2 3.48Å; K191-H488 WeakPolarHBondContact CA-CD2 3.46Å
192	K	72.4	Confident	68.9	Low	90 Å²	90	86.3 Å²	86.3	39%	0.391	44%	0.435	S	S	.	.	H	α-helix	trans	-45.1	-48.8	-177.3	-83.6	170.6	177.2	177.1	0	112.4	L190 L194 F195 Y196 Q486 D487 I489	L190-K192 PolarHBondContact O-N 2.91Å; K192-L194 VanDerWaalsContact C-N 3.32Å; K192-L194 PolarHBondContact O-N 2.93Å; K192-F195 PolarHBondContact O-N 2.74Å; K192-Y196 VanDerWaalsContact O-CD2 3.26Å; K192-Y196 WeakPolarHBondContact O-CD2 3.45Å; K192-Y196 PolarHBondContact O-N 2.87Å; K192-Q486 WeakPolarHBondContact CE-O 3.05Å; K192-Q486 PolarHBondContact NZ-O 3.21Å; K192-D487 WeakPolarHBondContact CB-O 3.43Å; K192-D487 WeakPolarHBondContact CG-O 3.49Å; K192-D487 PolarHBondContact N-O 2.86Å; K192-I489 HydrophobicContact CG-CD1 4.08Å; K192-I489 HydrophobicContact CG-CG1 3.84Å
193	L	72.5	Confident	69.6	Low	114 Å²	114	82 Å²	82	60%	0.597	42%	0.423	S	S	*	.	H	α-helix	trans	-54.2	-45.5	177.5	-176.6	68.4	0	0	0	112.6	K191 Y196 I197	K191-L193 PolarHBondContact O-N 3.07Å; K191-L193 VanDerWaalsContact O-N 3.12Å; L193-Y196 PolarHBondContact O-N 3.25Å; L193-I197 HydrophobicContact CD1-CD1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.91Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.2Å; L193-I197 PolarHBondContact O-N 3.34Å
194	L	73	Confident	70.9	Confident	94 Å²	94	83.1 Å²	83.1	49%	0.492	43%	0.432	S	S	.	.	H	α-helix	trans	-72.1	-36.2	-175.8	-157.9	128.4	0	0	0	111.6	L190 K191 K192 I197 T198	L190-L194 HydrophobicContact CD2-CD2 3.92Å; K191-L194 HydrophobicContact CB-CB 4.49Å; K191-L194 PolarHBondContact O-N 2.98Å; K192-L194 VanDerWaalsContact C-N 3.32Å; K192-L194 PolarHBondContact O-N 2.93Å; L194-I197 PolarHBondContact O-N 3.34Å; L194-T198 WeakPolarHBondContact O-CG2 3.42Å; L194-T198 PolarHBondContact O-N 2.85Å; L194-T198 PolarHBondContact O-OG1 2.85Å
195	F	77	Confident	72.3	Confident	67 Å²	67	81 Å²	81	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-43.4	172.4	-179.4	-92.4	0	0	0	112.3	L190 K191 K192 T198 A199 I489 L491	L190-F195 HydrophobicContact CB-CB 4.49Å; L190-F195 HydrophobicContact CD1-CD2 4.46Å; K191-F195 PolarHBondContact O-N 3.43Å; K191-F195 VanDerWaalsContact O-N 3.13Å; K192-F195 PolarHBondContact O-N 2.74Å; F195-T198 PolarHBondContact O-N 2.9Å; F195-T198 PolarHBondContact O-OG1 3.46Å; F195-T198 VanDerWaalsContact O-OG1 3.09Å; F195-A199 VanDerWaalsContact O-CB 3.28Å; F195-A199 WeakPolarHBondContact O-CB 3.4Å; F195-A199 PolarHBondContact O-N 3.47Å; F195-I489 HydrophobicContact CB-CD1 4.11Å; F195-I489 HydrophobicContact CD1-CD1 3.52Å; F195-I489 HydrophobicContact CE1-CD1 4.15Å; F195-I489 HydrophobicContact CG-CD1 3.91Å; F195-L491 HydrophobicContact CE2-CD1 4.14Å
196	Y	72.7	Confident	73.6	Confident	148 Å²	148	78 Å²	78	58%	0.58	42%	0.418	S	S	*	.	H	α-helix	trans	-64.8	-40.5	175.8	-82.5	-66	0	0	0	112.2	K192 L193 A199 V200	K192-Y196 VanDerWaalsContact O-CD2 3.26Å; K192-Y196 WeakPolarHBondContact O-CD2 3.45Å; K192-Y196 PolarHBondContact O-N 2.87Å; L193-Y196 PolarHBondContact O-N 3.25Å; Y196-A199 PolarHBondContact O-N 2.82Å; Y196-V200 WeakPolarHBondContact O-CB 3.36Å; Y196-V200 VanDerWaalsContact O-CG2 3.28Å; Y196-V200 WeakPolarHBondContact O-CG2 3.32Å; Y196-V200 PolarHBondContact O-N 3.41Å
197	I	77.7	Confident	74.6	Confident	91 Å²	91	77.6 Å²	77.6	47%	0.467	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-48	175.5	-70.3	166.1	0	0	0	110.8	L193 L194 A199 V200 C201	L193-I197 HydrophobicContact CD1-CD1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.91Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.2Å; L193-I197 PolarHBondContact O-N 3.34Å; L194-I197 PolarHBondContact O-N 3.34Å; I197-A199 PolarHBondContact O-N 2.86Å; I197-V200 PolarHBondContact O-N 2.88Å; I197-C201 WeakPolarHBondContact O-CB 3.29Å; I197-C201 PolarHBondContact O-N 3.05Å; I197-C201 PolarHBondContact O-SG 2.89Å
198	T	77.2	Confident	75.8	Confident	71 Å²	71	80.6 Å²	80.6	44%	0.436	44%	0.439	S	S	.	.	H	α-helix	trans	-67.3	-36	179.5	54.7	0	0	0	0	112.7	L194 F195 S202	L194-T198 WeakPolarHBondContact O-CG2 3.42Å; L194-T198 PolarHBondContact O-N 2.85Å; L194-T198 PolarHBondContact O-OG1 2.85Å; F195-T198 PolarHBondContact O-N 2.9Å; F195-T198 PolarHBondContact O-OG1 3.46Å; F195-T198 VanDerWaalsContact O-OG1 3.09Å; T198-S202 WeakPolarHBondContact O-CB 3.3Å; T198-S202 PolarHBondContact O-N 3.01Å; T198-S202 PolarHBondContact O-OG 2.86Å
199	A	76.8	Confident	76.3	Confident	43 Å²	43	84.6 Å²	84.6	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-64.4	-44.7	173.7	0	0	0	0	0	112.4	F195 Y196 I197 S202 G203	F195-A199 VanDerWaalsContact O-CB 3.28Å; F195-A199 WeakPolarHBondContact O-CB 3.4Å; F195-A199 PolarHBondContact O-N 3.47Å; Y196-A199 PolarHBondContact O-N 2.82Å; I197-A199 PolarHBondContact O-N 2.86Å; A199-S202 PolarHBondContact O-OG 3.41Å; A199-S202 VanDerWaalsContact O-OG 3.08Å; A199-G203 PolarHBondContact O-N 3.4Å
200	V	78	Confident	77	Confident	86 Å²	86	86.6 Å²	86.6	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-67.7	-44.6	177.5	171.1	0	0	0	0	111.3	Y196 I197 G203 L204	Y196-V200 WeakPolarHBondContact O-CB 3.36Å; Y196-V200 VanDerWaalsContact O-CG2 3.28Å; Y196-V200 WeakPolarHBondContact O-CG2 3.32Å; Y196-V200 PolarHBondContact O-N 3.41Å; I197-V200 PolarHBondContact O-N 2.88Å; V200-G203 PolarHBondContact O-N 2.85Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.46Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.25Å; V200-L204 PolarHBondContact O-N 3.43Å
201	C	78.2	Confident	77.7	Confident	64 Å²	64	87.7 Å²	87.7	43%	0.432	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-44.1	177.4	-70.3	0	0	0	0	112.4	I197 L204 I205	I197-C201 WeakPolarHBondContact O-CB 3.29Å; I197-C201 PolarHBondContact O-N 3.05Å; I197-C201 PolarHBondContact O-SG 2.89Å; C201-L204 PolarHBondContact O-N 2.82Å; C201-I205 WeakPolarHBondContact O-CB 3.45Å; C201-I205 WeakPolarHBondContact O-CD1 3.45Å; C201-I205 WeakPolarHBondContact O-CG1 3.32Å; C201-I205 PolarHBondContact O-N 2.81Å
202	S	77.3	Confident	78	Confident	60 Å²	60	84.8 Å²	84.8	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-65.7	-39.6	176	54.4	0	0	0	0	112.3	T198 A199 I205 I206	T198-S202 WeakPolarHBondContact O-CB 3.3Å; T198-S202 PolarHBondContact O-N 3.01Å; T198-S202 PolarHBondContact O-OG 2.86Å; A199-S202 PolarHBondContact O-OG 3.41Å; A199-S202 VanDerWaalsContact O-OG 3.08Å; S202-I205 PolarHBondContact O-N 2.64Å; S202-I206 VanDerWaalsContact O-CG1 3.28Å; S202-I206 WeakPolarHBondContact O-CG1 3.46Å; S202-I206 PolarHBondContact O-N 3.46Å
203	G	77.1	Confident	78.5	Confident	31 Å²	31	82.7 Å²	82.7	32%	0.32	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-48.1	172.3	0	0	0	0	0	113	A199 V200 I205 I206 V207	A199-G203 PolarHBondContact O-N 3.4Å; V200-G203 PolarHBondContact O-N 2.85Å; G203-I205 PolarHBondContact O-N 2.88Å; G203-I206 PolarHBondContact O-N 3.3Å; G203-V207 WeakPolarHBondContact O-CG2 3.23Å; G203-V207 PolarHBondContact O-N 2.79Å
204	L	79.4	Confident	78.9	Confident	107 Å²	107	82.2 Å²	82.2	56%	0.56	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-42.7	176.5	-76.7	171.1	0	0	0	112.1	V200 C201 I206 V207 V208	V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.46Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.25Å; V200-L204 PolarHBondContact O-N 3.43Å; C201-L204 PolarHBondContact O-N 2.82Å; L204-I206 VanDerWaalsContact C-N 3.35Å; L204-I206 PolarHBondContact O-N 3.08Å; L204-V207 PolarHBondContact O-N 3Å; L204-V208 WeakPolarHBondContact O-CG2 3.24Å; L204-V208 PolarHBondContact O-N 2.81Å
205	I	80.1	Confident	79.4	Confident	94 Å²	94	82.1 Å²	82.1	48%	0.482	46%	0.457	S	S	.	.	H	α-helix	trans	-58.6	-47.4	175.4	-73.5	166	0	0	0	110.4	C201 S202 G203 V207 V208 F209	C201-I205 WeakPolarHBondContact O-CB 3.45Å; C201-I205 WeakPolarHBondContact O-CD1 3.45Å; C201-I205 WeakPolarHBondContact O-CG1 3.32Å; C201-I205 PolarHBondContact O-N 2.81Å; S202-I205 PolarHBondContact O-N 2.64Å; G203-I205 PolarHBondContact O-N 2.88Å; I205-V207 PolarHBondContact O-N 2.74Å; I205-V208 PolarHBondContact O-N 3.36Å; I205-F209 HydrophobicContact CG2-CD2 3.63Å; I205-F209 HydrophobicContact CG2-CE2 3.64Å; I205-F209 VanDerWaalsContact O-CD2 3.22Å; I205-F209 WeakPolarHBondContact O-CD2 3.35Å; I205-F209 PolarHBondContact O-N 3.14Å
206	I	80.9	Confident	79.6	Confident	97 Å²	97	83.5 Å²	83.5	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-60.5	-44.7	177.2	-69.4	164.3	0	0	0	111.1	S202 G203 L204 F209 I210	S202-I206 VanDerWaalsContact O-CG1 3.28Å; S202-I206 WeakPolarHBondContact O-CG1 3.46Å; S202-I206 PolarHBondContact O-N 3.46Å; G203-I206 PolarHBondContact O-N 3.3Å; L204-I206 VanDerWaalsContact C-N 3.35Å; L204-I206 PolarHBondContact O-N 3.08Å; I206-F209 PolarHBondContact O-N 2.96Å; I206-I210 HydrophobicContact CG2-CD1 3.58Å; I206-I210 HydrophobicContact CG2-CG1 4.24Å; I206-I210 WeakPolarHBondContact O-CB 3.32Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.47Å; I206-I210 PolarHBondContact O-N 3.26Å
207	V	80.5	Confident	79.9	Confident	85 Å²	85	79 Å²	79	52%	0.515	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-42.6	178.3	171.8	0	0	0	0	112	G203 L204 I205 I210 T211	G203-V207 WeakPolarHBondContact O-CG2 3.23Å; G203-V207 PolarHBondContact O-N 2.79Å; L204-V207 PolarHBondContact O-N 3Å; I205-V207 PolarHBondContact O-N 2.74Å; V207-I210 PolarHBondContact O-N 3.17Å; V207-T211 HydrophobicContact CG1-CG2 4.47Å; V207-T211 WeakPolarHBondContact O-CB 3.4Å; V207-T211 WeakPolarHBondContact O-CG2 3.39Å; V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 2.9Å
208	V	83	Confident	80.1	Confident	94 Å²	94	79.1 Å²	79.1	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-64.3	-39.5	176.3	172.1	0	0	0	0	111.3	L204 I205 T211 S212	L204-V208 WeakPolarHBondContact O-CG2 3.24Å; L204-V208 PolarHBondContact O-N 2.81Å; I205-V208 PolarHBondContact O-N 3.36Å; V208-T211 WeakPolarHBondContact CA-OG1 3.4Å; V208-T211 PolarHBondContact O-OG1 3.24Å; V208-T211 VanDerWaalsContact O-OG1 3.05Å; V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 2.94Å
209	F	79	Confident	80.3	Confident	133 Å²	133	83.8 Å²	83.8	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-71.8	-38.6	175.4	-79.8	-62.2	0	0	0	113.4	I205 I206 S212 T213	I205-F209 HydrophobicContact CG2-CD2 3.63Å; I205-F209 HydrophobicContact CG2-CE2 3.64Å; I205-F209 VanDerWaalsContact O-CD2 3.22Å; I205-F209 WeakPolarHBondContact O-CD2 3.35Å; I205-F209 PolarHBondContact O-N 3.14Å; I206-F209 PolarHBondContact O-N 2.96Å; F209-S212 PolarHBondContact O-N 3.19Å; F209-T213 WeakPolarHBondContact O-CB 3.31Å; F209-T213 WeakPolarHBondContact O-CG2 3.44Å; F209-T213 PolarHBondContact O-N 3.35Å; F209-T213 PolarHBondContact O-OG1 2.88Å
210	I	83	Confident	80.4	Confident	87 Å²	87	86 Å²	86	45%	0.446	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-45.4	175.1	-72.4	172	0	0	0	110.8	I206 V207 T213 L214	I206-I210 HydrophobicContact CG2-CD1 3.58Å; I206-I210 HydrophobicContact CG2-CG1 4.24Å; I206-I210 WeakPolarHBondContact O-CB 3.32Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.47Å; I206-I210 PolarHBondContact O-N 3.26Å; V207-I210 PolarHBondContact O-N 3.17Å; I210-T213 WeakPolarHBondContact CA-OG1 3.2Å; I210-T213 PolarHBondContact O-N 2.05Å; I210-T213 PolarHBondContact O-OG1 3.34Å; I210-L214 HydrophobicContact CG2-CD1 4.01Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 PolarHBondContact O-N 2.84Å
211	T	82	Confident	80.4	Confident	68 Å²	68	88.8 Å²	88.8	42%	0.417	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.6	49.7	0	0	0	0	111.6	V207 V208 T213 L214 I215	V207-T211 HydrophobicContact CG1-CG2 4.47Å; V207-T211 WeakPolarHBondContact O-CB 3.4Å; V207-T211 WeakPolarHBondContact O-CG2 3.39Å; V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 2.9Å; V208-T211 WeakPolarHBondContact CA-OG1 3.4Å; V208-T211 PolarHBondContact O-OG1 3.24Å; V208-T211 VanDerWaalsContact O-OG1 3.05Å; T211-T213 PolarHBondContact O-N 2.93Å; T211-L214 PolarHBondContact O-N 2.57Å; T211-I215 WeakPolarHBondContact O-CB 3.14Å; T211-I215 WeakPolarHBondContact O-CD1 3.38Å; T211-I215 WeakPolarHBondContact O-CG1 3.34Å; T211-I215 PolarHBondContact O-N 2.9Å
212	S	80.6	Confident	80.3	Confident	56 Å²	56	88.7 Å²	88.7	39%	0.392	48%	0.479	S	S	.	.	H	α-helix	trans	-59.7	-44.5	174.1	-175.5	0	0	0	0	112.8	V208 F209 I215 L216	V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 2.94Å; F209-S212 PolarHBondContact O-N 3.19Å; S212-I215 PolarHBondContact O-N 3.43Å; S212-L216 PolarHBondContact O-N 3Å
213	T	81.7	Confident	80.3	Confident	47 Å²	47	88.9 Å²	88.9	29%	0.288	48%	0.475	S	S	.	.	H	α-helix	trans	-69.6	-36.7	178	50.1	0	0	0	0	112.9	F209 I210 T211 L216 A217 T514	F209-T213 WeakPolarHBondContact O-CB 3.31Å; F209-T213 WeakPolarHBondContact O-CG2 3.44Å; F209-T213 PolarHBondContact O-N 3.35Å; F209-T213 PolarHBondContact O-OG1 2.88Å; I210-T213 WeakPolarHBondContact CA-OG1 3.2Å; I210-T213 PolarHBondContact O-N 2.05Å; I210-T213 PolarHBondContact O-OG1 3.34Å; T211-T213 PolarHBondContact O-N 2.93Å; T213-L216 PolarHBondContact O-N 2.81Å; T213-A217 WeakPolarHBondContact O-CB 3.46Å; T213-A217 PolarHBondContact O-N 2.82Å; T213-T514 HydrophobicContact CG2-CG2 3.49Å; T213-T514 VanDerWaalsContact CG2-CG2 3.49Å
214	L	82.1	Confident	80.4	Confident	103 Å²	103	90.2 Å²	90.2	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-46	169.4	-92	162.6	0	0	0	111.8	I210 T211 L216 A217 V218	I210-L214 HydrophobicContact CG2-CD1 4.01Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 PolarHBondContact O-N 2.84Å; T211-L214 PolarHBondContact O-N 2.57Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 2.87Å; L214-A217 PolarHBondContact O-N 3.43Å; L214-V218 WeakPolarHBondContact O-CB 3.48Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.34Å; L214-V218 PolarHBondContact O-N 3.4Å
215	I	83.2	Confident	80.2	Confident	92 Å²	92	89.5 Å²	89.5	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-43.4	176.9	-69.8	162	0	0	0	110.7	T211 S212 R219	T211-I215 WeakPolarHBondContact O-CB 3.14Å; T211-I215 WeakPolarHBondContact O-CD1 3.38Å; T211-I215 WeakPolarHBondContact O-CG1 3.34Å; T211-I215 PolarHBondContact O-N 2.9Å; S212-I215 PolarHBondContact O-N 3.43Å; I215-R219 WeakPolarHBondContact O-CB 3.4Å; I215-R219 VanDerWaalsContact O-CG 3.28Å; I215-R219 WeakPolarHBondContact O-CG 3.47Å; I215-R219 PolarHBondContact O-N 2.75Å
216	L	80.8	Confident	79.9	Confident	96 Å²	96	91.7 Å²	91.7	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.4	-84.3	158.1	0	0	0	112.2	S212 T213 L214 R219 Y220	S212-L216 PolarHBondContact O-N 3Å; T213-L216 PolarHBondContact O-N 2.81Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 2.87Å; L216-R219 PolarHBondContact O-N 2.81Å; L216-Y220 VanDerWaalsContact O-CB 3.32Å; L216-Y220 WeakPolarHBondContact O-CB 3.26Å; L216-Y220 PolarHBondContact O-N 3.15Å
217	A	80.5	Confident	79.4	Confident	54 Å²	54	91.1 Å²	91.1	45%	0.446	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-40.3	178.8	0	0	0	0	0	112.5	T213 L214 Y220 K221	T213-A217 WeakPolarHBondContact O-CB 3.46Å; T213-A217 PolarHBondContact O-N 2.82Å; L214-A217 PolarHBondContact O-N 3.43Å; A217-Y220 PolarHBondContact O-N 2.62Å; A217-K221 WeakPolarHBondContact O-CB 3.46Å; A217-K221 PolarHBondContact O-N 2.83Å
218	V	81.2	Confident	79	Confident	93 Å²	93	93.6 Å²	93.6	56%	0.564	48%	0.479	S	S	*	.	H	α-helix	trans	-65.6	-44.5	174.2	170.3	0	0	0	0	110.6	L214 Y220 K221 C222	L214-V218 WeakPolarHBondContact O-CB 3.48Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.34Å; L214-V218 PolarHBondContact O-N 3.4Å; V218-Y220 VanDerWaalsContact C-N 3.35Å; V218-Y220 PolarHBondContact O-N 3.27Å; V218-K221 PolarHBondContact O-N 3.04Å; V218-C222 WeakPolarHBondContact O-CB 3.42Å; V218-C222 PolarHBondContact O-N 2.73Å
219	R	80.4	Confident	78.1	Confident	170 Å²	170	98.9 Å²	98.9	64%	0.642	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-43.2	173.9	-76.6	177.7	176	-169.4	-0.4	111.7	I215 L216 C222 L223	I215-R219 WeakPolarHBondContact O-CB 3.4Å; I215-R219 VanDerWaalsContact O-CG 3.28Å; I215-R219 WeakPolarHBondContact O-CG 3.47Å; I215-R219 PolarHBondContact O-N 2.75Å; L216-R219 PolarHBondContact O-N 2.81Å; R219-C222 PolarHBondContact O-N 3.06Å; R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 WeakPolarHBondContact O-CG 3.1Å; R219-L223 PolarHBondContact O-N 2.62Å
220	Y	79	Confident	77.3	Confident	88 Å²	88	100.1 Å²	100.1	35%	0.345	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-51.6	175.3	-178	-96.4	0	0	0	112	L216 A217 V218 C222 L223 V224 Y521 L524	L216-Y220 VanDerWaalsContact O-CB 3.32Å; L216-Y220 WeakPolarHBondContact O-CB 3.26Å; L216-Y220 PolarHBondContact O-N 3.15Å; A217-Y220 PolarHBondContact O-N 2.62Å; V218-Y220 VanDerWaalsContact C-N 3.35Å; V218-Y220 PolarHBondContact O-N 3.27Å; Y220-C222 VanDerWaalsContact C-N 3.32Å; Y220-C222 PolarHBondContact O-N 2.89Å; Y220-L223 PolarHBondContact O-N 3.02Å; Y220-V224 HydrophobicContact CD1-CG2 4.25Å; Y220-V224 HydrophobicContact CE1-CG2 3.88Å; Y220-V224 HydrophobicContact CE2-CG2 4.45Å; Y220-V224 WeakPolarHBondContact O-CG2 3.49Å; Y220-V224 PolarHBondContact O-N 3.41Å; Y220-Y521 HydrophobicContact CD2-CD2 4.32Å; Y220-L524 HydrophobicContact CE2-CD1 3.66Å
221	K	79	Confident	76.1	Confident	145 Å²	145	101.9 Å²	101.9	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-60.7	-40.7	177.7	-171.5	177.2	-179.4	-179.7	0	111.6	A217 V218 V224 L225	A217-K221 WeakPolarHBondContact O-CB 3.46Å; A217-K221 PolarHBondContact O-N 2.83Å; V218-K221 PolarHBondContact O-N 3.04Å; K221-V224 PolarHBondContact O-N 2.74Å; K221-L225 HydrophobicContact CG-CD1 4.19Å; K221-L225 WeakPolarHBondContact O-CB 3.45Å; K221-L225 VanDerWaalsContact O-CG 3.3Å; K221-L225 WeakPolarHBondContact O-CG 3.45Å; K221-L225 PolarHBondContact O-N 2.89Å
222	C	76	Confident	74.9	Confident	62 Å²	62	104.9 Å²	104.9	42%	0.419	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-41.2	176.2	-172.5	0	0	0	0	112.2	V218 R219 Y220 L225 K226	V218-C222 WeakPolarHBondContact O-CB 3.42Å; V218-C222 PolarHBondContact O-N 2.73Å; R219-C222 PolarHBondContact O-N 3.06Å; Y220-C222 VanDerWaalsContact C-N 3.32Å; Y220-C222 PolarHBondContact O-N 2.89Å; C222-L225 PolarHBondContact O-N 3.17Å; C222-K226 WeakPolarHBondContact O-CG 3.43Å; C222-K226 PolarHBondContact O-N 3.31Å
223	L	77.9	Confident	73.5	Confident	64 Å²	64	104.4 Å²	104.4	34%	0.335	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-41.8	174.3	-76.3	164.2	0	0	0	112.3	R219 Y220 L225 K226 M227 Y521	R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 WeakPolarHBondContact O-CG 3.1Å; R219-L223 PolarHBondContact O-N 2.62Å; Y220-L223 PolarHBondContact O-N 3.02Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 3.37Å; L223-K226 PolarHBondContact O-N 2.96Å; L223-M227 WeakPolarHBondContact O-CB 3.31Å; L223-M227 VanDerWaalsContact O-CG 3.3Å; L223-M227 WeakPolarHBondContact O-CG 3.1Å; L223-M227 PolarHBondContact O-N 3.16Å; L223-Y521 HydrophobicContact CD1-CE2 3.62Å
224	V	77.4	Confident	72	Confident	60 Å²	60	107.2 Å²	107.2	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-37.2	174.7	172.9	0	0	0	0	111.7	Y220 K221 M227 K228	Y220-V224 HydrophobicContact CD1-CG2 4.25Å; Y220-V224 HydrophobicContact CE1-CG2 3.88Å; Y220-V224 HydrophobicContact CE2-CG2 4.45Å; Y220-V224 WeakPolarHBondContact O-CG2 3.49Å; Y220-V224 PolarHBondContact O-N 3.41Å; K221-V224 PolarHBondContact O-N 2.74Å; V224-M227 WeakPolarHBondContact O-CB 3.23Å; V224-M227 PolarHBondContact O-N 2.77Å; V224-K228 PolarHBondContact O-N 2.93Å
225	L	75.2	Confident	70.2	Confident	92 Å²	92	108.4 Å²	108.4	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-68.9	-40.6	173.9	-74.2	169.1	0	0	0	112.3	K221 C222 L223 M227 K228 R229	K221-L225 HydrophobicContact CG-CD1 4.19Å; K221-L225 WeakPolarHBondContact O-CB 3.45Å; K221-L225 VanDerWaalsContact O-CG 3.3Å; K221-L225 WeakPolarHBondContact O-CG 3.45Å; K221-L225 PolarHBondContact O-N 2.89Å; C222-L225 PolarHBondContact O-N 3.17Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 3.37Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 2.84Å; L225-K228 PolarHBondContact O-N 2.87Å; L225-R229 WeakPolarHBondContact O-CG 3.21Å; L225-R229 PolarHBondContact O-N 3.33Å
226	K	75.1	Confident	68.1	Low	139 Å²	139	107 Å²	107	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-60.9	-37.7	171.2	-77.3	-174.1	176.4	-172.5	0	111.7	C222 L223 K230	C222-K226 WeakPolarHBondContact O-CG 3.43Å; C222-K226 PolarHBondContact O-N 3.31Å; L223-K226 PolarHBondContact O-N 2.96Å; K226-K230 PolarHBondContact O-N 3.5Å
227	M	69.7	Low	66.1	Low	86 Å²	86	108.9 Å²	108.9	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-50.7	173.8	-77.1	-74.5	-85.5	0	0	112.3	L223 V224 L225 R229 K230 Q231 M528	L223-M227 WeakPolarHBondContact O-CB 3.31Å; L223-M227 VanDerWaalsContact O-CG 3.3Å; L223-M227 WeakPolarHBondContact O-CG 3.1Å; L223-M227 PolarHBondContact O-N 3.16Å; V224-M227 WeakPolarHBondContact O-CB 3.23Å; V224-M227 PolarHBondContact O-N 2.77Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 2.84Å; M227-R229 VanDerWaalsContact C-N 3.33Å; M227-R229 PolarHBondContact O-N 3.06Å; M227-K230 PolarHBondContact O-N 2.04Å; M227-K230 VanDerWaalsContact O-N 3.17Å; M227-Q231 PolarHBondContact O-N 3.34Å; M227-M528 HydrophobicContact CE-CG 4.43Å; M227-M528 HydrophobicContact CE-SD 3.53Å; M227-M528 VanDerWaalsContact CE-SD 3.53Å; M227-M528 HydrophobicContact CG-SD 4.28Å; M227-M528 HydrophobicContact SD-CE 4.08Å; M227-M528 HydrophobicContact SD-SD 3.27Å
228	K	72.5	Confident	64.1	Low	137 Å²	137	114 Å²	114	60%	0.596	58%	0.578	S	S	*	*	H	α-helix	trans	-58.5	-42.1	176.4	-80.4	-163	171.3	-165	0	112.3	V224 L225 Q231 I232	V224-K228 PolarHBondContact O-N 2.93Å; L225-K228 PolarHBondContact O-N 2.87Å; K228-Q231 PolarHBondContact O-N 2.94Å; K228-I232 WeakPolarHBondContact O-CB 3.03Å; K228-I232 VanDerWaalsContact O-CG1 3.29Å; K228-I232 WeakPolarHBondContact O-CG1 3.31Å; K228-I232 PolarHBondContact O-N 3.29Å
229	R	64.4	Low	62.1	Low	205 Å²	205	115.9 Å²	115.9	77%	0.774	59%	0.589	S	S	*	*	H	α-helix	trans	-63.1	-39.8	175.7	-73.6	-173.4	-172.5	178.4	2	112.9	L225 M227 G233	L225-R229 WeakPolarHBondContact O-CG 3.21Å; L225-R229 PolarHBondContact O-N 3.33Å; M227-R229 VanDerWaalsContact C-N 3.33Å; M227-R229 PolarHBondContact O-N 3.06Å; R229-G233 PolarHBondContact O-N 2.94Å
230	K	61.2	Low	59.9	Low	159 Å²	159	120.2 Å²	120.2	69%	0.691	61%	0.606	S	S	*	*	H	α-helix	trans	-66.1	-45.3	175.2	-78.2	-164	171	-159.9	0	111.9	K226 M227 G233 T234	K226-K230 PolarHBondContact O-N 3.5Å; M227-K230 PolarHBondContact O-N 2.04Å; M227-K230 VanDerWaalsContact O-N 3.17Å; K230-G233 WeakPolarHBondContact O-CA 3.23Å; K230-G233 PolarHBondContact O-N 2.83Å; K230-G233 VanDerWaalsContact O-N 3.09Å; K230-T234 PolarHBondContact O-N 2.74Å; K230-T234 PolarHBondContact O-OG1 2.72Å
231	Q	57.5	Low	57.9	Low	123 Å²	123	120.2 Å²	120.2	58%	0.575	62%	0.623	S	S	*	*	H	α-helix	trans	-66.2	-42	-177.3	-163.1	167.5	-6.9	0	0	112.3	M227 K228 G233 T234 D235	M227-Q231 PolarHBondContact O-N 3.34Å; K228-Q231 PolarHBondContact O-N 2.94Å; Q231-G233 PolarHBondContact O-N 3.4Å; Q231-T234 PolarHBondContact O-N 3.11Å; Q231-T234 VanDerWaalsContact O-N 3.16Å; Q231-D235 PolarHBondContact O-N 2.83Å
232	I	57.1	Low	55.8	Low	131 Å²	131	123 Å²	123	67%	0.672	64%	0.639	S	S	*	*	H	α-helix	trans	-64.1	-27	172.9	-66	166.1	0	0	0	111.9	K228	K228-I232 WeakPolarHBondContact O-CB 3.03Å; K228-I232 VanDerWaalsContact O-CG1 3.29Å; K228-I232 WeakPolarHBondContact O-CG1 3.31Å; K228-I232 PolarHBondContact O-N 3.29Å
233	G	52	Low	53.7	Low	46 Å²	46	123.2 Å²	123.2	47%	0.474	65%	0.652	S	S	.	*	H	α-helix	trans	-79.2	-17.5	175.6	0	0	0	0	0	115.2	R229 K230 Q231	R229-G233 PolarHBondContact O-N 2.94Å; K230-G233 WeakPolarHBondContact O-CA 3.23Å; K230-G233 PolarHBondContact O-N 2.83Å; K230-G233 VanDerWaalsContact O-N 3.09Å; Q231-G233 PolarHBondContact O-N 3.4Å
234	T	49.7	Very low	51.8	Low	106 Å²	106	125 Å²	125	65%	0.65	67%	0.67	S	S	*	*	H	α-helix	trans	-96	-29.4	-179.7	-39.5	0	0	0	0	112.7	K230 Q231 G236	K230-T234 PolarHBondContact O-N 2.74Å; K230-T234 PolarHBondContact O-OG1 2.72Å; Q231-T234 PolarHBondContact O-N 3.11Å; Q231-T234 VanDerWaalsContact O-N 3.16Å; T234-G236 VanDerWaalsContact C-N 3.29Å; T234-G236 PolarHBondContact O-N 2.77Å
235	D	44.8	Very low	49.8	Very low	128 Å²	128	130.5 Å²	130.5	68%	0.684	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	0.3	-179.4	-60.9	-25.3	0	0	0	113.3	Q231	Q231-D235 PolarHBondContact O-N 2.83Å
236	G	38.1	Very low	48	Very low	62 Å²	62	132.8 Å²	132.8	64%	0.639	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	1	-175.5	0	0	0	0	0	116.6	T234	T234-G236 VanDerWaalsContact C-N 3.29Å; T234-G236 PolarHBondContact O-N 2.77Å
237	I	40.3	Very low	45.9	Very low	137 Å²	137	131.9 Å²	131.9	70%	0.703	71%	0.713	S	S	*	*	S	Bend	trans	-126.1	67.1	-175.6	-48.3	177.1	0	0	0	109.3
238	N	38.3	Very low	44.1	Very low	162 Å²	162	131.9 Å²	131.9	87%	0.866	72%	0.722	S	S	*	*			trans	-168.5	39.7	170	-98.9	-21.1	0	0	0	113.3
239	V	38.3	Very low	42.3	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	73%	0.732	S	S	*	*			trans	-139.9	59.6	175.4	-164.3	0	0	0	0	111.4
240	W	35.2	Very low	40.8	Very low	261 Å²	261	129.6 Å²	129.6	99%	0.989	73%	0.734	S	S	*	*			trans	-141.2	71.1	170.7	-111	72.8	0	0	0	110
241	A	36	Very low	39.7	Very low	87 Å²	87	128.3 Å²	128.3	72%	0.719	74%	0.742	S	S	*	*			trans	-151.2	100.1	172	0	0	0	0	0	112.1
242	Q	35.9	Very low	38.3	Very low	204 Å²	204	131 Å²	131	95%	0.953	76%	0.76	S	S	*	*			trans	69.1	144.1	148.5	-61.2	174.2	-40.5	0	0	120.6
243	G	31.9	Very low	37	Very low	67 Å²	67	128.1 Å²	128.1	69%	0.691	76%	0.762	S	S	*	*			trans	102.6	58.5	167	0	0	0	0	0	115.3
244	S	37.9	Very low	36.3	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	78%	0.78	S	S	*	*				62.4	112.4	90.6	72	0	0	0	0	115.9
245	E	34.1	Very low	35.7	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	78%	0.781	S	S	*	*			trans	69	142.3	146.4	-63.1	177	-164.9	0	0	118
246	I	38.1	Very low	35.3	Very low	140 Å²	140	136.6 Å²	136.6	72%	0.718	79%	0.791	S	S	*	*			cis	-160.8	144.8	1.3	-109.1	159.1	0	0	0	107.6
247	S	30.7	Very low	34.9	Very low	119 Å²	119	136.9 Å²	136.9	83%	0.832	79%	0.793	S	S	*	*			trans	58.3	153.1	163.9	-105.5	0	0	0	0	119.3
248	S	33.1	Very low	34.3	Very low	86 Å²	86	141.9 Å²	141.9	60%	0.601	80%	0.804	S	S	*	*			cis	-159.5	150.4	6.1	50.9	0	0	0	0	113
249	Q	34.4	Very low	34	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	81%	0.806	S	S	*	*			trans	78.7	116.6	144.8	-75.1	165.1	-7.4	0	0	123.1
250	C	32.1	Very low	33.6	Very low	121 Å²	121	143.7 Å²	143.7	82%	0.818	81%	0.808	S	S	*	*			trans	79.5	145.8	142	-60.7	0	0	0	0	120.9
251	P	37.7	Very low	33.4	Very low	132 Å²	132	138.2 Å²	138.2	86%	0.857	80%	0.796	S	S	*	*			cis	-118	161.1	-16.1	37.7	-23.6	0	0	0	113.9
252	L	29.7	Very low	33.1	Very low	181 Å²	181	141.6 Å²	141.6	95%	0.948	80%	0.801	S	S	*	*			trans	-126.5	133.3	-176.9	-174.5	83.9	0	0	0	110.7
253	G	29.6	Very low	32.9	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	80%	0.797	S	S	*	*			trans	101	104.4	149.4	0	0	0	0	0	118.2
254	E	37.2	Very low	32.8	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	80%	0.801	S	S	*	*			trans	-155	120.6	141.9	-127	170.8	172.6	0	0	112.1
255	T	36.5	Very low	32.4	Very low	109 Å²	109	140.7 Å²	140.7	67%	0.669	80%	0.802	S	S	*	*			trans	45.6	132.5	148	57	0	0	0	0	123.6
256	D	35.5	Very low	32.2	Very low	165 Å²	165	136.4 Å²	136.4	88%	0.882	80%	0.796	S	S	*	*			trans	48	138.7	140.7	-61.2	-24.7	0	0	0	121.3
257	G	31.6	Very low	32	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	80%	0.801	S	S	*	*			cis	161.7	148.8	-0.8	0	0	0	0	0	111.1
258	R	27.2	Very low	31.9	Very low	243 Å²	243	143 Å²	143	92%	0.917	80%	0.799	S	S	*	*			trans	58.8	116	172.3	-79.4	178.8	158.2	170.7	-4.9	119.1
259	L	31.5	Very low	31.9	Very low	176 Å²	176	150 Å²	150	92%	0.921	81%	0.813	S	S	*	*				-174.9	81.4	102.7	-100.4	159	0	0	0	111.3
260	D	30.1	Very low	31.7	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	81%	0.806	S	S	*	*			trans	-101.8	160.1	154.7	-106.5	-40.7	0	0	0	108.9
261	I	30.1	Very low	31.6	Very low	147 Å²	147	148.9 Å²	148.9	75%	0.754	80%	0.803	S	S	*	*			trans	136.3	105.3	153.6	-73.4	167.9	0	0	0	113.9
262	L	31	Very low	31.4	Very low	157 Å²	157	148.7 Å²	148.7	82%	0.822	81%	0.805	S	S	*	*			trans	47	119.6	136.6	-62.5	163.7	0	0	0	120.2
263	A	31	Very low	31.5	Very low	103 Å²	103	143.2 Å²	143.2	85%	0.851	79%	0.792	S	S	*	*			trans	-93.5	104.2	148.6	0	0	0	0	0	109.1
264	D	29.6	Very low	31.7	Very low	147 Å²	147	149.1 Å²	149.1	79%	0.786	80%	0.798	S	S	*	*			trans	-160.2	148.8	159.7	-133.1	-21.4	0	0	0	115.5
265	S	29.6	Very low	31.7	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	79%	0.794	S	S	*	*			trans	66.9	113.6	155.4	70	0	0	0	0	124
266	A	31	Very low	31.5	Very low	85 Å²	85	153.5 Å²	153.5	70%	0.702	81%	0.809	S	S	*	*				84.3	147.8	121.6	0	0	0	0	0	124.9
267	F	32.2	Very low	31.1	Very low	186 Å²	186	149.2 Å²	149.2	82%	0.816	80%	0.803	S	S	*	*			trans	94.2	99.7	168.4	-69.5	-88.6	0	0	0	117
268	R	30.2	Very low	31.2	Very low	212 Å²	212	150.8 Å²	150.8	80%	0.8	80%	0.803	S	S	*	*			cis	94.4	129.1	47.6	-171.8	-177.3	-172.3	-170.9	4.1	112.5
269	R	33.1	Very low	31.4	Very low	233 Å²	233	149.4 Å²	149.4	88%	0.879	80%	0.8	S	S	*	*			trans	103.9	137.8	176.1	-64.9	173	-180	163.6	1.3	113.6
270	D	28.9	Very low	31.6	Very low	125 Å²	125	149.2 Å²	149.2	67%	0.668	79%	0.791	S	S	*	*			cis	176.4	153.7	-35.1	-116.7	-39.9	0	0	0	106.4
271	L	30.3	Very low	31.9	Very low	146 Å²	146	151 Å²	151	76%	0.764	79%	0.794	S	S	*	*			trans	60.8	131.6	157.2	-89.7	75.8	0	0	0	122.3
272	S	32.9	Very low	32.1	Very low	128 Å²	128	147.5 Å²	147.5	90%	0.895	79%	0.788	S	S	*	*			trans	67.4	141.4	158.2	74.1	0	0	0	0	117.2
273	G	32.7	Very low	32.2	Very low	65 Å²	65	148 Å²	148	67%	0.67	79%	0.79	S	S	*	*			cis	175	165.5	-5.8	0	0	0	0	0	111.1
274	F	34.7	Very low	32.5	Very low	195 Å²	195	148.3 Å²	148.3	86%	0.855	78%	0.782	S	S	*	*			trans	64.2	114	161.7	-84.7	-91.9	0	0	0	121.1
275	T	35.7	Very low	32.8	Very low	123 Å²	123	147.8 Å²	147.8	76%	0.755	78%	0.779	S	S	*	*			trans	52.1	101.7	135.2	53	0	0	0	0	119.9
276	R	31.9	Very low	33	Very low	261 Å²	261	148.5 Å²	148.5	99%	0.985	78%	0.784	S	S	*	*			trans	-51.9	127.4	159	-171	-174.6	-158.5	175.6	5.5	112.9
277	G	29.1	Very low	33.2	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	79%	0.786	S	S	*	*			trans	139.3	95.1	157.3	0	0	0	0	0	115.1
278	S	33.4	Very low	33.4	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	78%	0.776	S	S	*	*			trans	-172.8	118.7	155.7	-173.4	0	0	0	0	113.1
279	Y	31.2	Very low	33.8	Very low	214 Å²	214	139.7 Å²	139.7	84%	0.839	78%	0.779	S	S	*	*			trans	56.9	176.6	145.2	-68.9	-116.1	0	0	0	116.7
280	K	35.3	Very low	34.1	Very low	173 Å²	173	138.4 Å²	138.4	75%	0.752	78%	0.776	S	S	*	*			cis	-147.1	155.4	4.7	-134.2	151.5	-178.6	-176.5	0	104.9	A282	K280-A282 HydrophobicContact CG-CB 4.26Å
281	E	35.4	Very low	34.5	Very low	191 Å²	191	140.1 Å²	140.1	89%	0.893	78%	0.783	S	S	*	*				-150.6	134.5	60.7	-72.1	165.4	137.7	0	0	108.4
282	A	35.1	Very low	34.6	Very low	75 Å²	75	136.5 Å²	136.5	62%	0.62	78%	0.781	S	S	*	*			cis	86.2	94	45.8	0	0	0	0	0	114.2	K280	K280-A282 HydrophobicContact CG-CB 4.26Å
283	L	33.3	Very low	34.7	Very low	166 Å²	166	139 Å²	139	87%	0.869	78%	0.775	S	S	*	*			trans	-151.7	112.1	144.2	-125.2	119.8	0	0	0	112.1
284	V	36.9	Very low	34.5	Very low	110 Å²	110	141.2 Å²	141.2	67%	0.667	78%	0.776	S	S	*	*			trans	66.4	97.4	144.1	-175.9	0	0	0	0	119.6
285	N	36.8	Very low	34.3	Very low	136 Å²	136	139.7 Å²	139.7	73%	0.727	78%	0.776	S	S	*	*				53.8	110.5	120.4	-49.7	-10.2	0	0	0	118.9
286	S	33.9	Very low	34.1	Very low	119 Å²	119	140 Å²	140	83%	0.832	77%	0.772	S	S	*	*				64	101.7	66.9	80.2	0	0	0	0	115.3
287	G	33.7	Very low	34.1	Very low	73 Å²	73	132.5 Å²	132.5	75%	0.753	76%	0.758	S	S	*	*			trans	-167	138.4	171.2	0	0	0	0	0	110.7
288	P	36.8	Very low	34	Very low	93 Å²	93	136.5 Å²	136.5	60%	0.604	75%	0.754	S	S	*	*			trans	-97.1	171.6	-160.7	39.3	-37.6	0	0	0	114.2	Y290	P288-Y290 HydrophobicContact CG-CD2 4.17Å; P288-Y290 HydrophobicContact CG-CE2 3.78Å; P288-Y290 PolarHBondContact O-N 2.84Å
289	P	39.5	Very low	33.8	Very low	133 Å²	133	136.7 Å²	136.7	86%	0.864	76%	0.755	S	S	*	*			trans	-72.7	124.5	-177.7	29.5	-34.9	0	0	0	111.5
290	Y	38.6	Very low	33.6	Very low	206 Å²	206	131.9 Å²	131.9	81%	0.808	74%	0.744	S	S	*	*			trans	-116.7	128	178.1	-94.8	-80.6	0	0	0	113.4	P288 G292	P288-Y290 HydrophobicContact CG-CD2 4.17Å; P288-Y290 HydrophobicContact CG-CE2 3.78Å; P288-Y290 PolarHBondContact O-N 2.84Å; Y290-G292 PolarHBondContact O-N 3.04Å
291	I	36.5	Very low	33.3	Very low	161 Å²	161	130 Å²	130	83%	0.826	74%	0.74	S	S	*	*			trans	-70.3	105.1	166.2	-64.9	162.9	0	0	0	108.3
292	G	34.2	Very low	33.2	Very low	69 Å²	69	128.8 Å²	128.8	71%	0.711	74%	0.739	S	S	*	*			trans	-115.2	95.3	163.3	0	0	0	0	0	108.4	Y290	Y290-G292 PolarHBondContact O-N 3.04Å
293	K	34.4	Very low	32.8	Very low	181 Å²	181	131 Å²	131	79%	0.787	74%	0.74	S	S	*	*				51.9	99	90.8	-70.7	-171.9	176.9	178.8	0	113.8
294	T	28.4	Very low	32.6	Very low	112 Å²	112	134.3 Å²	134.3	69%	0.687	74%	0.741	S	S	*	*				58.7	79.2	124	-40.6	0	0	0	0	116.6	I296	T294-I296 HydrophobicContact CG2-CD1 3.77Å; T294-I296 HydrophobicContact CG2-CG1 3.79Å
295	L	30.2	Very low	32.6	Very low	162 Å²	162	134.1 Å²	134.1	85%	0.848	74%	0.74	S	S	*	*			trans	-108.9	83.4	143.5	-117	149	0	0	0	108.4	C297	L295-C297 PolarHBondContact O-N 2.87Å
296	I	31.5	Very low	33.6	Very low	130 Å²	130	131.9 Å²	131.9	67%	0.667	73%	0.725	S	S	*	*			trans	-71.1	87.9	164.1	-60.7	168.6	0	0	0	105.6	T294 K298	T294-I296 HydrophobicContact CG2-CD1 3.77Å; T294-I296 HydrophobicContact CG2-CG1 3.79Å; I296-K298 HydrophobicContact CG2-CB 4.01Å; I296-K298 HydrophobicContact CG2-CG 4.49Å; I296-K298 PolarHBondContact O-N 3.49Å
297	C	32.1	Very low	34.8	Very low	104 Å²	104	134.4 Å²	134.4	70%	0.703	72%	0.724	S	S	*	*			trans	-68.1	81.7	160.4	-81.3	0	0	0	0	107.8	L295 C299	L295-C297 PolarHBondContact O-N 2.87Å; C297-C299 PolarHBondContact O-N 3.32Å
298	K	26.9	Very low	36.5	Very low	157 Å²	157	133.5 Å²	133.5	68%	0.683	71%	0.705	S	S	*	*			trans	-71.5	72.9	170.7	-151.4	174.5	-174.1	179.1	0	107.4	I296 N300	I296-K298 HydrophobicContact CG2-CB 4.01Å; I296-K298 HydrophobicContact CG2-CG 4.49Å; I296-K298 PolarHBondContact O-N 3.49Å; K298-N300 PolarHBondContact O-N 3.42Å
299	C	28.3	Very low	38.2	Very low	105 Å²	105	133 Å²	133	71%	0.709	69%	0.694	S	S	*	*			trans	-65.8	80.1	160.3	-97.5	0	0	0	0	107.5	C297 I301	C297-C299 PolarHBondContact O-N 3.32Å; C299-I301 HydrophobicContact CB-CG1 4.49Å; C299-I301 PolarHBondContact O-N 3.16Å
300	N	27.8	Very low	39.8	Very low	114 Å²	114	127.3 Å²	127.3	61%	0.61	66%	0.661	S	S	*	*			trans	-72.5	52.9	167.8	-124.3	21.6	0	0	0	108.3	K298 L302	K298-N300 PolarHBondContact O-N 3.42Å; N300-L302 PolarHBondContact O-N 3.35Å
301	I	29.6	Very low	41.7	Very low	133 Å²	133	125.2 Å²	125.2	68%	0.682	65%	0.652	S	S	*	*			trans	-72.4	123.9	162.3	-63.3	178.1	0	0	0	104.9	C299 L303	C299-I301 HydrophobicContact CB-CG1 4.49Å; C299-I301 PolarHBondContact O-N 3.16Å; I301-L303 PolarHBondContact O-N 2.82Å
302	L	31.7	Very low	43.6	Very low	165 Å²	165	120.8 Å²	120.8	86%	0.864	63%	0.625	S	S	*	*			trans	-45.4	126.2	-162.8	-92	83.9	0	0	0	113.5	N300 R304	N300-L302 PolarHBondContact O-N 3.35Å; L302-R304 PolarHBondContact O-N 3.35Å; L302-R304 VanDerWaalsContact O-N 3.11Å
303	L	28.3	Very low	45.7	Very low	122 Å²	122	120.4 Å²	120.4	64%	0.639	61%	0.609	S	S	*	*			trans	-60.9	112.7	177.8	-74.6	72	0	0	0	111.3	I301	I301-L303 PolarHBondContact O-N 2.82Å
304	R	28	Very low	47.5	Very low	235 Å²	235	114 Å²	114	89%	0.887	58%	0.582	S	S	*	*				-125.2	66	119.4	-88.6	-169.3	172.7	-174.6	-1.1	109	L302 E306	L302-R304 PolarHBondContact O-N 3.35Å; L302-R304 VanDerWaalsContact O-N 3.11Å; R304-E306 PolarHBondContact O-N 2.88Å
305	T	38.2	Very low	49.4	Very low	107 Å²	107	116.1 Å²	116.1	66%	0.656	58%	0.577	S	S	*	*			trans	-67.5	86.7	163.2	47.9	0	0	0	0	108.3	Q307	T305-Q307 PolarHBondContact O-N 3.05Å; T305-Q307 VanDerWaalsContact O-N 3.1Å
306	E	55.9	Low	51.1	Low	89 Å²	89	109.2 Å²	109.2	42%	0.416	54%	0.542	S	S	.	.			trans	-56.7	112.8	163.2	-69.2	177.5	-163	0	0	107.5	R304 Y328 V331 K342	R304-E306 PolarHBondContact O-N 2.88Å; E306-Y328 HydrophobicContact CB-CD1 4.38Å; E306-V331 WeakPolarHBondContact OE2-CG2 3.39Å; E306-K342 IonicContact OE1-NZ 2.79Å; E306-K342 PolarHBondContact OE1-NZ 2.86Å; E306-K342 WeakPolarHBondContact OE2-CE 3.08Å; E306-K342 IonicContact OE2-NZ 3.52Å; E306-K342 PolarHBondContact OE2-NZ 3.28Å
307	Q	60.7	Low	52.3	Low	171 Å²	171	105 Å²	105	80%	0.799	53%	0.53	S	S	*	.			trans	-68.2	135.4	175.6	-73.8	-175.2	-27.3	0	0	108.8	T305 E309	T305-Q307 PolarHBondContact O-N 3.05Å; T305-Q307 VanDerWaalsContact O-N 3.1Å; Q307-E309 PolarHBondContact O-N 2.96Å
308	P	69	Low	53	Low	55 Å²	55	109 Å²	109	36%	0.357	54%	0.543	S	S	.	.			trans	-60.6	135.1	167.4	26.9	-32.6	0	0	0	108.3	G310 W327 Y328	P308-G310 PolarHBondContact O-N 3.11Å; P308-W327 CarbonylContact C-O 3.55Å; P308-W327 WeakPolarHBondContact CA-O 3.41Å; P308-Y328 HydrophobicContact CB-CD1 4.23Å; P308-Y328 HydrophobicContact CB-CE1 3.71Å; P308-Y328 HydrophobicContact CB-CE2 4.48Å; P308-Y328 HydrophobicContact CG-CE1 4.35Å
309	E	72.3	Confident	54.2	Low	81 Å²	81	109.9 Å²	109.9	38%	0.379	55%	0.55	S	S	.	.	S	Bend	trans	-66.3	-32.3	175.9	-171	-164.7	158.5	0	0	110.6	Q307 W327 R329	Q307-E309 PolarHBondContact O-N 2.96Å; E309-W327 PolarHBondContact N-O 3.41Å; E309-R329 VanDerWaalsContact CD-NE 3.34Å; E309-R329 IonicContact OE1-CZ 2.67Å; E309-R329 VanDerWaalsContact OE1-CZ 3.26Å; E309-R329 IonicContact OE1-NE 2.74Å; E309-R329 PolarHBondContact OE1-NE 2.68Å; E309-R329 IonicContact OE1-NH2 2.74Å; E309-R329 PolarHBondContact OE1-NH2 3.28Å; E309-R329 VanDerWaalsContact OE2-CB 3.23Å; E309-R329 WeakPolarHBondContact OE2-CB 3.45Å; E309-R329 IonicContact OE2-CZ 3.14Å; E309-R329 IonicContact OE2-NE 2.73Å; E309-R329 PolarHBondContact OE2-NE 3.09Å; E309-R329 IonicContact OE2-NH2 2.57Å; E309-R329 PolarHBondContact OE2-NH2 3.18Å
310	G	73.4	Confident	55.7	Low	15 Å²	15	106 Å²	106	16%	0.155	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	172.9	169.1	0	0	0	0	0	112.3	P308 W327	P308-G310 PolarHBondContact O-N 3.11Å; G310-W327 VanDerWaalsContact CA-CE2 3.5Å; G310-W327 VanDerWaalsContact CA-CZ2 3.49Å; G310-W327 PolarHBondContact O-N 2.99Å
311	Y	78.9	Confident	57.5	Low	162 Å²	162	106.6 Å²	106.6	64%	0.635	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.5	175.4	73.1	-84.6	0	0	0	110.3	F325 W327	Y311-F325 CarbonylContact C-O 3.55Å; Y311-F325 WeakPolarHBondContact CA-O 3.23Å; Y311-W327 VanDerWaalsContact C-CZ3 3.43Å; Y311-W327 VanDerWaalsContact CA-CZ3 3.47Å
312	R	74.9	Confident	59.7	Low	67 Å²	67	105.4 Å²	105.4	25%	0.253	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	126.8	175.3	-175.8	-176.4	-178.4	140.8	2.9	110.5	E314 N324 F325 W327 K361 T362	R312-E314 HydrophobicContact CG-CG 4.16Å; R312-E314 IonicContact CZ-OE1 2.64Å; R312-E314 IonicContact NE-OE1 3.26Å; R312-E314 PolarHBondContact NE-OE1 2.84Å; R312-E314 IonicContact NH2-OE1 3.18Å; R312-E314 PolarHBondContact NH2-OE1 2.81Å; R312-N324 PolarHBondContact O-OD1 3.35Å; R312-F325 PolarHBondContact N-O 2.96Å; R312-F325 PolarHBondContact O-N 3.11Å; R312-W327 HydrophobicContact CB-CH2 4.34Å; R312-W327 HydrophobicContact CB-CZ3 4.01Å; R312-K361 VanDerWaalsContact NH1-C 3.33Å; R312-K361 PolarHBondContact NH1-O 3.5Å; R312-T362 HydrophobicContact CB-CG2 4.22Å; R312-T362 WeakPolarHBondContact CD-OG1 3.19Å; R312-T362 VanDerWaalsContact NH1-CA 3.32Å; R312-T362 PolarHBondContact NH1-OG1 2.8Å
313	V	78.4	Confident	61.9	Low	62 Å²	62	97.7 Å²	97.7	38%	0.376	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.4	171.6	-176.2	0	0	0	0	109.6	R322 V323 N324 V443	V313-R322 HydrophobicContact CG1-CB 4.07Å; V313-R322 HydrophobicContact CG1-CG 4.35Å; V313-V323 CarbonylContact C-O 3.52Å; V313-V323 VanDerWaalsContact CA-O 3.32Å; V313-V323 WeakPolarHBondContact CA-O 3.45Å; V313-N324 HydrophobicContact CG2-CB 4.13Å; V313-V443 HydrophobicContact CG1-CG2 4.02Å; V313-V443 HydrophobicContact CG2-CG2 4.2Å
314	E	71.9	Confident	64.7	Low	46 Å²	46	93.3 Å²	93.3	22%	0.215	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159	177.3	-84.2	-64.6	163.7	0	0	111.3	R312 V316 R322 V323 F325	R312-E314 HydrophobicContact CG-CG 4.16Å; R312-E314 IonicContact CZ-OE1 2.64Å; R312-E314 IonicContact NE-OE1 3.26Å; R312-E314 PolarHBondContact NE-OE1 2.84Å; R312-E314 IonicContact NH2-OE1 3.18Å; R312-E314 PolarHBondContact NH2-OE1 2.81Å; E314-V316 HydrophobicContact CB-CG2 4.5Å; E314-R322 WeakPolarHBondContact O-CA 3.26Å; E314-V323 PolarHBondContact N-O 2.87Å; E314-V323 PolarHBondContact O-N 2.99Å; E314-F325 HydrophobicContact CB-CD2 4.46Å; E314-F325 HydrophobicContact CB-CE2 4.08Å
315	R	68.6	Low	67.3	Low	157 Å²	157	82.1 Å²	82.1	59%	0.592	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.8	172.4	-72	-169.7	-178.8	-159.4	0	109.8	R321 R322 Y358	R315-R321 WeakPolarHBondContact CA-O 3.45Å; R315-R322 HydrophobicContact CG-CG 4.39Å; R315-Y358 WeakPolarHBondContact O-CD1 3.34Å; R315-Y358 VanDerWaalsContact O-CE1 3.26Å; R315-Y358 WeakPolarHBondContact O-CE1 3.42Å
316	V	65.8	Low	69.5	Low	17 Å²	17	77.6 Å²	77.6	10%	0.103	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.9	-172.1	-178.3	0	0	0	0	111.3	E314 R321 V323 F325 D355 Y358	E314-V316 HydrophobicContact CB-CG2 4.5Å; V316-R321 PolarHBondContact N-O 3.47Å; V316-R321 PolarHBondContact O-N 3.3Å; V316-V323 HydrophobicContact CB-CB 4.45Å; V316-V323 HydrophobicContact CB-CG2 3.89Å; V316-V323 HydrophobicContact CG2-CB 3.8Å; V316-V323 HydrophobicContact CG2-CG1 4.38Å; V316-V323 HydrophobicContact CG2-CG2 3.78Å; V316-F325 HydrophobicContact CG2-CE2 4.08Å; V316-F325 HydrophobicContact CG2-CZ 4.13Å; V316-D355 WeakPolarHBondContact CG1-OD1 3.44Å; V316-Y358 HydrophobicContact CB-CD2 4.39Å; V316-Y358 HydrophobicContact CB-CE2 4.39Å; V316-Y358 HydrophobicContact CG1-CD2 4.03Å; V316-Y358 HydrophobicContact CG1-CE2 3.85Å; V316-Y358 HydrophobicContact CG2-CD2 3.95Å; V316-Y358 HydrophobicContact CG2-CE2 4.44Å; V316-Y358 HydrophobicContact CG2-CG 4.05Å
317	G	58.3	Low	70.8	Confident	41 Å²	41	74 Å²	74	42%	0.423	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	172.7	175.3	0	0	0	0	0	114.8	H319 G320 Y358	G317-H319 PolarHBondContact O-N 3.31Å; G317-H319 VanDerWaalsContact O-N 3.16Å; G317-G320 PolarHBondContact O-N 2.82Å; G317-Y358 PolarHBondContact N-OH 2.89Å
318	L	46.2	Very low	71.7	Confident	187 Å²	187	66.8 Å²	66.8	98%	0.979	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.6	-175.6	-81.4	110.5	0	0	0	114.2	G320	L318-G320 VanDerWaalsContact C-N 3.29Å; L318-G320 PolarHBondContact O-N 3.26Å
319	H	51.9	Low	71.7	Confident	176 Å²	176	66.3 Å²	66.3	82%	0.815	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.3	178.4	-57.4	-59.1	0	0	0	113.5	G317 R321	G317-H319 PolarHBondContact O-N 3.31Å; G317-H319 VanDerWaalsContact O-N 3.16Å; H319-R321 VanDerWaalsContact C-N 3.3Å; H319-R321 PolarHBondContact O-N 3.47Å
320	G	59.3	Low	71.2	Confident	24 Å²	24	68.4 Å²	68.4	25%	0.247	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	29.5	175.4	0	0	0	0	0	114.8	G317 L318 R322	G317-G320 PolarHBondContact O-N 2.82Å; L318-G320 VanDerWaalsContact C-N 3.29Å; L318-G320 PolarHBondContact O-N 3.26Å; G320-R322 PolarHBondContact O-N 3.42Å
321	R	66.8	Low	70.8	Confident	126 Å²	126	68.2 Å²	68.2	48%	0.475	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.5	179.4	-71.6	-172.8	178	-146.8	-4.5	109.9	R315 V316 H319 V323 E442	R315-R321 WeakPolarHBondContact CA-O 3.45Å; V316-R321 PolarHBondContact N-O 3.47Å; V316-R321 PolarHBondContact O-N 3.3Å; H319-R321 VanDerWaalsContact C-N 3.3Å; H319-R321 PolarHBondContact O-N 3.47Å; R321-V323 PolarHBondContact O-N 3.36Å; R321-E442 IonicContact CZ-OE1 4Å; R321-E442 IonicContact NH1-OE1 2.9Å; R321-E442 PolarHBondContact NH1-OE1 3.03Å; R321-E442 IonicContact NH1-OE2 2.69Å
322	R	75.5	Confident	70.1	Confident	108 Å²	108	65.6 Å²	65.6	41%	0.408	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.1	173.4	-71.2	-156.9	-176.1	109.3	-14.5	110.5	V313 E314 R315 G320 V443 D444	V313-R322 HydrophobicContact CG1-CB 4.07Å; V313-R322 HydrophobicContact CG1-CG 4.35Å; E314-R322 WeakPolarHBondContact O-CA 3.26Å; R315-R322 HydrophobicContact CG-CG 4.39Å; G320-R322 PolarHBondContact O-N 3.42Å; R322-V443 HydrophobicContact CB-CB 3.9Å; R322-V443 HydrophobicContact CB-CG2 4.37Å; R322-V443 PolarHBondContact O-N 3.16Å; R322-D444 WeakPolarHBondContact CB-OD2 3.5Å; R322-D444 WeakPolarHBondContact CD-OD2 3.46Å; R322-D444 VanDerWaalsContact CG-OD2 3.3Å; R322-D444 WeakPolarHBondContact CG-OD2 3.33Å; R322-D444 IonicContact CZ-OD2 3.68Å; R322-D444 IonicContact NE-OD2 3.83Å; R322-D444 IonicContact NH1-OD1 3.65Å; R322-D444 IonicContact NH1-OD2 2.76Å; R322-D444 PolarHBondContact NH1-OD2 3.23Å
323	V	78.4	Confident	69.8	Low	3 Å²	3	62.4 Å²	62.4	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128	-179.4	173.3	0	0	0	0	108.2	V313 E314 V316 R321 F325 K440 S441	V313-V323 CarbonylContact C-O 3.52Å; V313-V323 VanDerWaalsContact CA-O 3.32Å; V313-V323 WeakPolarHBondContact CA-O 3.45Å; E314-V323 PolarHBondContact N-O 2.87Å; E314-V323 PolarHBondContact O-N 2.99Å; V316-V323 HydrophobicContact CB-CB 4.45Å; V316-V323 HydrophobicContact CB-CG2 3.89Å; V316-V323 HydrophobicContact CG2-CB 3.8Å; V316-V323 HydrophobicContact CG2-CG1 4.38Å; V316-V323 HydrophobicContact CG2-CG2 3.78Å; R321-V323 PolarHBondContact O-N 3.36Å; V323-F325 HydrophobicContact CB-CE2 4.16Å; V323-F325 HydrophobicContact CG1-CD2 4.07Å; V323-F325 HydrophobicContact CG1-CE1 4.29Å; V323-F325 HydrophobicContact CG1-CE2 3.61Å; V323-F325 HydrophobicContact CG1-CZ 3.75Å; V323-K440 HydrophobicContact CG1-CD 3.98Å; V323-K440 VanDerWaalsContact CG1-CE 3.47Å; V323-K440 HydrophobicContact CG1-CG 3.28Å; V323-S441 CarbonylContact C-O 3.46Å; V323-S441 WeakPolarHBondContact CA-O 3.33Å
324	N	85.1	Confident	69.5	Low	30 Å²	30	68 Å²	68	16%	0.16	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.5	171.4	-172.3	23.6	0	0	0	109.4	R312 V313 K440 S441 V443	R312-N324 PolarHBondContact O-OD1 3.35Å; V313-N324 HydrophobicContact CG2-CB 4.13Å; N324-K440 CarbonylContact O-C 3.56Å; N324-K440 WeakPolarHBondContact O-CA 3.43Å; N324-S441 PolarHBondContact N-O 3.23Å; N324-S441 PolarHBondContact O-N 2.59Å; N324-V443 HydrophobicContact CB-CG2 3.56Å
325	F	83.6	Confident	69.5	Low	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.5	167.4	-60.4	-93.2	0	0	0	108	Y311 R312 E314 V316 V323 P351 D355 F359 V438 C439 K440	Y311-F325 CarbonylContact C-O 3.55Å; Y311-F325 WeakPolarHBondContact CA-O 3.23Å; R312-F325 PolarHBondContact N-O 2.96Å; R312-F325 PolarHBondContact O-N 3.11Å; E314-F325 HydrophobicContact CB-CD2 4.46Å; E314-F325 HydrophobicContact CB-CE2 4.08Å; V316-F325 HydrophobicContact CG2-CE2 4.08Å; V316-F325 HydrophobicContact CG2-CZ 4.13Å; V323-F325 HydrophobicContact CB-CE2 4.16Å; V323-F325 HydrophobicContact CG1-CD2 4.07Å; V323-F325 HydrophobicContact CG1-CE1 4.29Å; V323-F325 HydrophobicContact CG1-CE2 3.61Å; V323-F325 HydrophobicContact CG1-CZ 3.75Å; F325-P351 HydrophobicContact CD1-CB 4.24Å; F325-P351 HydrophobicContact CE1-CB 3.91Å; F325-D355 HydrophobicContact CE1-CB 3.92Å; F325-D355 HydrophobicContact CZ-CB 3.88Å; F325-F359 HydrophobicContact CB-CD2 3.44Å; F325-F359 VanDerWaalsContact CB-CD2 3.44Å; F325-F359 HydrophobicContact CB-CE2 3.68Å; F325-F359 HydrophobicContact CB-CG 4.49Å; F325-F359 HydrophobicContact CD1-CB 4.25Å; F325-F359 HydrophobicContact CD1-CD2 4.07Å; F325-F359 HydrophobicContact CD1-CG 4.38Å; F325-F359 HydrophobicContact CD2-CD2 4.41Å; F325-F359 HydrophobicContact CE1-CB 4.38Å; F325-F359 HydrophobicContact CG-CB 4.41Å; F325-F359 AromaticContact CG-CD2 3.74Å; F325-F359 HydrophobicContact CG-CD2 3.74Å; F325-F359 HydrophobicContact CG-CE2 4.45Å; F325-F359 HydrophobicContact CG-CG 4.43Å; F325-V438 HydrophobicContact CD1-CG1 4.35Å; F325-C439 CarbonylContact C-O 3.59Å; F325-C439 WeakPolarHBondContact CA-O 2.94Å; F325-K440 HydrophobicContact CD1-CB 4.49Å; F325-K440 HydrophobicContact CD1-CG 4.48Å; F325-K440 HydrophobicContact CE1-CG 4.19Å
326	T	84.8	Confident	70	Confident	12 Å²	12	64.3 Å²	64.3	7%	0.074	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.3	172.3	55.2	0	0	0	0	108.9	V438 C439	T326-V438 WeakPolarHBondContact O-CA 3.23Å; T326-C439 PolarHBondContact N-O 2.7Å; T326-C439 PolarHBondContact O-N 3.35Å; T326-C439 PolarHBondContact OG1-O 3.03Å
327	W	83.4	Confident	70.6	Confident	15 Å²	15	67.1 Å²	67.1	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.6	176.1	59.6	93.4	0	0	0	113.4	P308 E309 G310 Y311 R312 F359 T362 I368 L436 L437 V438	P308-W327 CarbonylContact C-O 3.55Å; P308-W327 WeakPolarHBondContact CA-O 3.41Å; E309-W327 PolarHBondContact N-O 3.41Å; G310-W327 VanDerWaalsContact CA-CE2 3.5Å; G310-W327 VanDerWaalsContact CA-CZ2 3.49Å; G310-W327 PolarHBondContact O-N 2.99Å; Y311-W327 VanDerWaalsContact C-CZ3 3.43Å; Y311-W327 VanDerWaalsContact CA-CZ3 3.47Å; R312-W327 HydrophobicContact CB-CH2 4.34Å; R312-W327 HydrophobicContact CB-CZ3 4.01Å; W327-F359 HydrophobicContact CB-CZ 4.37Å; W327-F359 HydrophobicContact CD2-CE2 4.28Å; W327-F359 HydrophobicContact CD2-CZ 4.14Å; W327-F359 AromaticContact CE3-CE2 3.46Å; W327-F359 HydrophobicContact CE3-CE2 3.46Å; W327-F359 VanDerWaalsContact CE3-CE2 3.46Å; W327-F359 AromaticContact CE3-CZ 3.77Å; W327-F359 HydrophobicContact CE3-CZ 3.77Å; W327-F359 HydrophobicContact CG-CZ 4.44Å; W327-F359 AromaticContact CZ3-CE2 3.73Å; W327-F359 HydrophobicContact CZ3-CE2 3.73Å; W327-F359 HydrophobicContact CZ3-CZ 4.37Å; W327-T362 HydrophobicContact CH2-CG2 3.5Å; W327-T362 VanDerWaalsContact CH2-CG2 3.5Å; W327-T362 HydrophobicContact CZ2-CG2 4.18Å; W327-T362 HydrophobicContact CZ3-CG2 4.04Å; W327-I368 HydrophobicContact CZ2-CD1 4.01Å; W327-L436 HydrophobicContact CB-CD1 4.18Å; W327-L436 HydrophobicContact CB-CD2 4.33Å; W327-L436 HydrophobicContact CB-CG 4.31Å; W327-L437 CarbonylContact C-O 3.48Å; W327-L437 WeakPolarHBondContact CA-O 3.26Å; W327-L437 WeakPolarHBondContact CB-O 3.46Å; W327-V438 HydrophobicContact CB-CG2 4.42Å
328	Y	79.7	Confident	71.7	Confident	18 Å²	18	68.7 Å²	68.7	7%	0.071	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.7	-175.7	-51.7	-100.7	0	0	0	108.9	E306 P308 L346 L437	E306-Y328 HydrophobicContact CB-CD1 4.38Å; P308-Y328 HydrophobicContact CB-CD1 4.23Å; P308-Y328 HydrophobicContact CB-CE1 3.71Å; P308-Y328 HydrophobicContact CB-CE2 4.48Å; P308-Y328 HydrophobicContact CG-CE1 4.35Å; Y328-L346 HydrophobicContact CD2-CD1 4.23Å; Y328-L346 HydrophobicContact CE1-CD1 4.22Å; Y328-L346 HydrophobicContact CE2-CD1 3.57Å; Y328-L437 HydrophobicContact CD2-CB 4.42Å; Y328-L437 HydrophobicContact CD2-CD2 4.19Å; Y328-L437 HydrophobicContact CD2-CG 4.35Å; Y328-L437 PolarHBondContact N-O 3.5Å; Y328-L437 PolarHBondContact O-N 3.05Å
329	R	68.3	Low	73.5	Confident	46 Å²	46	59.8 Å²	59.8	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	164.4	175.1	-166	-163.2	-64.7	-149.3	-6.4	110.3	E309 V331 I368 S371 I372 L436	E309-R329 VanDerWaalsContact CD-NE 3.34Å; E309-R329 IonicContact OE1-CZ 2.67Å; E309-R329 VanDerWaalsContact OE1-CZ 3.26Å; E309-R329 IonicContact OE1-NE 2.74Å; E309-R329 PolarHBondContact OE1-NE 2.68Å; E309-R329 IonicContact OE1-NH2 2.74Å; E309-R329 PolarHBondContact OE1-NH2 3.28Å; E309-R329 VanDerWaalsContact OE2-CB 3.23Å; E309-R329 WeakPolarHBondContact OE2-CB 3.45Å; E309-R329 IonicContact OE2-CZ 3.14Å; E309-R329 IonicContact OE2-NE 2.73Å; E309-R329 PolarHBondContact OE2-NE 3.09Å; E309-R329 IonicContact OE2-NH2 2.57Å; E309-R329 PolarHBondContact OE2-NH2 3.18Å; R329-V331 PolarHBondContact O-N 3.04Å; R329-I368 PolarHBondContact NH2-O 3.33Å; R329-S371 VanDerWaalsContact CZ-OG 3.3Å; R329-S371 VanDerWaalsContact NH1-CB 3.35Å; R329-S371 PolarHBondContact NH1-O 3.3Å; R329-S371 VanDerWaalsContact NH1-O 3.17Å; R329-S371 PolarHBondContact NH1-OG 2.98Å; R329-S371 PolarHBondContact NH2-OG 3.12Å; R329-I372 VanDerWaalsContact NH1-N 3.16Å; R329-L436 HydrophobicContact CB-CD1 4.28Å
330	N	61.4	Low	74.9	Confident	125 Å²	125	52.6 Å²	52.6	67%	0.668	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.2	10.1	-179.8	-59.9	-12.2	0	0	0	114	T332	N330-T332 PolarHBondContact O-N 2.88Å
331	V	65.1	Low	76.1	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.3	165.4	-168.1	0	0	0	0	108.2	E306 R329 I333 K342	E306-V331 WeakPolarHBondContact OE2-CG2 3.39Å; R329-V331 PolarHBondContact O-N 3.04Å; V331-I333 VanDerWaalsContact C-N 3.3Å; V331-I333 HydrophobicContact CB-CD1 4.17Å; V331-I333 HydrophobicContact CB-CG1 3.88Å; V331-I333 HydrophobicContact CG1-CD1 3.87Å; V331-I333 HydrophobicContact CG1-CG1 3.38Å; V331-I333 PolarHBondContact O-N 3.16Å; V331-K342 HydrophobicContact CG1-CD 3.84Å
332	T	64.3	Low	76.9	Confident	106 Å²	106	52.2 Å²	52.2	65%	0.65	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	85.3	171.7	55	0	0	0	0	109.8	N330 R334 Q338	N330-T332 PolarHBondContact O-N 2.88Å; T332-R334 PolarHBondContact O-N 3.28Å; T332-Q338 PolarHBondContact O-NE2 2.93Å; T332-Q338 PolarHBondContact O-OE1 3.22Å
333	I	69.2	Low	77.4	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101.2	179.2	-58.7	-171.2	0	0	0	109.1	V331 S335 Q338 A339 Y387 H433 A434 L437	V331-I333 VanDerWaalsContact C-N 3.3Å; V331-I333 HydrophobicContact CB-CD1 4.17Å; V331-I333 HydrophobicContact CB-CG1 3.88Å; V331-I333 HydrophobicContact CG1-CD1 3.87Å; V331-I333 HydrophobicContact CG1-CG1 3.38Å; V331-I333 PolarHBondContact O-N 3.16Å; I333-S335 WeakPolarHBondContact CG2-O 3.33Å; I333-Q338 HydrophobicContact CG2-CB 4.31Å; I333-A339 HydrophobicContact CD1-CB 4.22Å; I333-A339 HydrophobicContact CG2-CB 3.61Å; I333-Y387 HydrophobicContact CG2-CD2 3.94Å; I333-Y387 HydrophobicContact CG2-CE2 3.77Å; I333-H433 WeakPolarHBondContact O-CB 3.23Å; I333-A434 HydrophobicContact CB-CB 4.38Å; I333-A434 PolarHBondContact O-N 3.23Å; I333-L437 HydrophobicContact CD1-CB 3.59Å; I333-L437 HydrophobicContact CD1-CD1 3.59Å; I333-L437 HydrophobicContact CD1-CD2 3.86Å; I333-L437 HydrophobicContact CD1-CG 3.85Å
334	R	71.8	Confident	77.7	Confident	180 Å²	180	50.5 Å²	50.5	68%	0.679	26%	0.26	S	S	*	.			trans	-79.9	-21.2	-176.5	-64.3	-176.3	179.7	178.4	-0.7	113.1	T332 H433	T332-R334 PolarHBondContact O-N 3.28Å; R334-H433 WeakPolarHBondContact CA-ND1 3.12Å; R334-H433 PolarHBondContact O-CE1 3.18Å; R334-H433 PolarHBondContact O-ND1 3.18Å; R334-H433 VanDerWaalsContact O-ND1 3.07Å
335	S	72.7	Confident	77.7	Confident	43 Å²	43	58.2 Å²	58.2	30%	0.301	29%	0.289	S	S	.	.	S	Bend	trans	-145.6	155.4	-178.4	73.7	0	0	0	0	112.8	I333 V337 Q338 A339	I333-S335 WeakPolarHBondContact CG2-O 3.33Å; S335-V337 PolarHBondContact O-N 3.14Å; S335-Q338 PolarHBondContact O-N 3.3Å; S335-Q338 PolarHBondContact OG-N 3.3Å; S335-Q338 VanDerWaalsContact OG-N 3.12Å; S335-A339 PolarHBondContact O-N 2.91Å; S335-A339 VanDerWaalsContact O-N 3.13Å
336	W	78.9	Confident	77.6	Confident	82 Å²	82	60.8 Å²	60.8	31%	0.311	30%	0.302	S	S	.	.	H	α-helix	trans	-53.5	-39.3	170.5	-178.7	100.1	0	0	0	112.4	A339 A340 L350 Y387 L388 R406	W336-A339 WeakPolarHBondContact O-CA 3.46Å; W336-A339 VanDerWaalsContact O-CB 3.25Å; W336-A339 WeakPolarHBondContact O-CB 3.38Å; W336-A339 PolarHBondContact O-N 3.11Å; W336-A339 VanDerWaalsContact O-N 3.1Å; W336-A340 HydrophobicContact CE3-CB 4.17Å; W336-A340 HydrophobicContact CH2-CB 4.02Å; W336-A340 HydrophobicContact CZ2-CB 4.49Å; W336-A340 HydrophobicContact CZ3-CB 3.85Å; W336-A340 PolarHBondContact O-N 3.48Å; W336-L350 HydrophobicContact CD2-CD1 4.29Å; W336-L350 HydrophobicContact CZ2-CD1 4.04Å; W336-Y387 HydrophobicContact CB-CD1 4.28Å; W336-Y387 HydrophobicContact CB-CG 4.24Å; W336-L388 PolarHBondContact NE1-O 2.8Å; W336-R406 HydrophobicContact CB-CB 4.12Å; W336-R406 HydrophobicContact CB-CG 3.85Å
337	V	78.3	Confident	77.5	Confident	75 Å²	75	67.6 Å²	67.6	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-47.9	178.9	-178.8	0	0	0	0	110.2	S335 A339 A340 D341	S335-V337 PolarHBondContact O-N 3.14Å; V337-A339 PolarHBondContact O-N 3.16Å; V337-A340 PolarHBondContact O-N 3.39Å; V337-A340 VanDerWaalsContact O-N 3.11Å; V337-D341 WeakPolarHBondContact O-CB 3.09Å; V337-D341 PolarHBondContact O-N 3.33Å
338	Q	81.7	Confident	77.6	Confident	74 Å²	74	67.3 Å²	67.3	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-30.2	175.3	-168.6	-172.6	5	0	0	112.4	T332 I333 S335 K342	T332-Q338 PolarHBondContact O-NE2 2.93Å; T332-Q338 PolarHBondContact O-OE1 3.22Å; I333-Q338 HydrophobicContact CG2-CB 4.31Å; S335-Q338 PolarHBondContact O-N 3.3Å; S335-Q338 PolarHBondContact OG-N 3.3Å; S335-Q338 VanDerWaalsContact OG-N 3.12Å; Q338-K342 WeakPolarHBondContact O-CB 3.37Å; Q338-K342 PolarHBondContact O-N 3.04Å; Q338-K342 VanDerWaalsContact O-N 3.16Å
339	A	82.3	Confident	77.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-72	-45.6	174.8	0	0	0	0	0	112	I333 S335 W336 V337 K342 C343 L350 Y387 L437	I333-A339 HydrophobicContact CD1-CB 4.22Å; I333-A339 HydrophobicContact CG2-CB 3.61Å; S335-A339 PolarHBondContact O-N 2.91Å; S335-A339 VanDerWaalsContact O-N 3.13Å; W336-A339 WeakPolarHBondContact O-CA 3.46Å; W336-A339 VanDerWaalsContact O-CB 3.25Å; W336-A339 WeakPolarHBondContact O-CB 3.38Å; W336-A339 PolarHBondContact O-N 3.11Å; W336-A339 VanDerWaalsContact O-N 3.1Å; V337-A339 PolarHBondContact O-N 3.16Å; A339-K342 PolarHBondContact O-N 3.08Å; A339-C343 PolarHBondContact O-N 2.84Å; A339-L350 HydrophobicContact CB-CD1 4.16Å; A339-L350 HydrophobicContact CB-CD2 3.89Å; A339-Y387 HydrophobicContact CB-CD2 3.78Å; A339-Y387 HydrophobicContact CB-CG 4.47Å; A339-L437 HydrophobicContact CB-CD1 4.06Å
340	A	82.9	Confident	78.6	Confident	24 Å²	24	70.6 Å²	70.6	20%	0.198	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-48.8	177.8	0	0	0	0	0	111.3	W336 V337 K342 C343 S344 L350	W336-A340 HydrophobicContact CE3-CB 4.17Å; W336-A340 HydrophobicContact CH2-CB 4.02Å; W336-A340 HydrophobicContact CZ2-CB 4.49Å; W336-A340 HydrophobicContact CZ3-CB 3.85Å; W336-A340 PolarHBondContact O-N 3.48Å; V337-A340 PolarHBondContact O-N 3.39Å; V337-A340 VanDerWaalsContact O-N 3.11Å; A340-K342 VanDerWaalsContact C-N 3.28Å; A340-K342 PolarHBondContact O-N 3.09Å; A340-C343 PolarHBondContact O-N 3.32Å; A340-S344 VanDerWaalsContact O-CB 3.31Å; A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 2.92Å; A340-L350 HydrophobicContact CB-CD1 3.88Å; A340-L350 HydrophobicContact CB-CG 4.49Å
341	D	82.9	Confident	79.4	Confident	99 Å²	99	64.7 Å²	64.7	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-57.8	-41.6	175.8	-65.8	-18.5	0	0	0	111.2	V337 S344 Y345	V337-D341 WeakPolarHBondContact O-CB 3.09Å; V337-D341 PolarHBondContact O-N 3.33Å; D341-S344 WeakPolarHBondContact O-CB 3.1Å; D341-S344 PolarHBondContact O-N 2.86Å; D341-Y345 WeakPolarHBondContact O-CB 3.36Å; D341-Y345 PolarHBondContact O-N 3.46Å
342	K	84.7	Confident	79.9	Confident	43 Å²	43	68.2 Å²	68.2	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-71.9	-39	179.7	-170.7	161.1	-175.8	161.1	0	113.2	E306 V331 Q338 A339 A340 S344 L346 L437	E306-K342 IonicContact OE1-NZ 2.79Å; E306-K342 PolarHBondContact OE1-NZ 2.86Å; E306-K342 WeakPolarHBondContact OE2-CE 3.08Å; E306-K342 IonicContact OE2-NZ 3.52Å; E306-K342 PolarHBondContact OE2-NZ 3.28Å; V331-K342 HydrophobicContact CG1-CD 3.84Å; Q338-K342 WeakPolarHBondContact O-CB 3.37Å; Q338-K342 PolarHBondContact O-N 3.04Å; Q338-K342 VanDerWaalsContact O-N 3.16Å; A339-K342 PolarHBondContact O-N 3.08Å; A340-K342 VanDerWaalsContact C-N 3.28Å; A340-K342 PolarHBondContact O-N 3.09Å; K342-S344 VanDerWaalsContact C-N 3.32Å; K342-L346 HydrophobicContact CG-CD1 4.37Å; K342-L346 WeakPolarHBondContact O-CD1 3.36Å; K342-L346 VanDerWaalsContact O-CG 3.26Å; K342-L346 WeakPolarHBondContact O-CG 3.33Å; K342-L346 PolarHBondContact O-N 2.92Å; K342-L437 HydrophobicContact CB-CD2 4.08Å; K342-L437 HydrophobicContact CD-CD2 3.85Å; K342-L437 HydrophobicContact CG-CD2 3.73Å
343	C	86.6	Confident	80	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-40.6	169.9	-70	0	0	0	0	111.3	A339 A340 Y345 L346 N347 S348 C439	A339-C343 PolarHBondContact O-N 2.84Å; A340-C343 PolarHBondContact O-N 3.32Å; C343-Y345 PolarHBondContact O-N 3.45Å; C343-L346 CarbonylContact O-C 3.58Å; C343-L346 VanDerWaalsContact O-C 3.31Å; C343-L346 WeakPolarHBondContact O-CA 3.33Å; C343-L346 WeakPolarHBondContact O-CB 3.44Å; C343-L346 PolarHBondContact O-N 2.79Å; C343-N347 PolarHBondContact O-N 3.49Å; C343-S348 CarbonylContact C-O 3.49Å; C343-S348 CarbonylContact O-C 3.53Å; C343-S348 WeakPolarHBondContact O-CA 3.49Å; C343-S348 WeakPolarHBondContact O-CB 3.49Å; C343-S348 PolarHBondContact O-N 3.02Å; C343-C439 WeakPolarHBondContact CA-SG 3.21Å; C343-C439 HydrophobicContact CB-CB 3.83Å; C343-C439 WeakPolarHBondContact CB-SG 3.49Å; C343-C439 WeakPolarHBondContact SG-CA 2.91Å; C343-C439 WeakPolarHBondContact SG-CB 3.46Å; C343-C439 CovalentContact SG-SG 2.04Å; C343-C439 PolarHBondContact SG-SG 3.1Å
344	S	84.9	Confident	79.7	Confident	75 Å²	75	70.8 Å²	70.8	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-45.8	177.5	-171.1	0	0	0	0	111.5	A340 D341 K342 L346 N347 S348	A340-S344 VanDerWaalsContact O-CB 3.31Å; A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 2.92Å; D341-S344 WeakPolarHBondContact O-CB 3.1Å; D341-S344 PolarHBondContact O-N 2.86Å; K342-S344 VanDerWaalsContact C-N 3.32Å; S344-L346 PolarHBondContact O-N 2.59Å; S344-N347 WeakPolarHBondContact O-CA 2.97Å; S344-N347 PolarHBondContact O-N 2.8Å; S344-S348 WeakPolarHBondContact CA-O 3.16Å; S344-S348 PolarHBondContact N-O 3.27Å
345	Y	83.4	Confident	79.5	Confident	193 Å²	193	62.8 Å²	62.8	76%	0.757	32%	0.324	S	S	*	.	H	α-helix	trans	-58.3	-26.7	172.2	-177	-97.4	0	0	0	113.6	D341 C343 N347	D341-Y345 WeakPolarHBondContact O-CB 3.36Å; D341-Y345 PolarHBondContact O-N 3.46Å; C343-Y345 PolarHBondContact O-N 3.45Å; Y345-N347 VanDerWaalsContact C-N 3.32Å
346	L	82	Confident	79.1	Confident	54 Å²	54	61.2 Å²	61.2	28%	0.283	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	20.5	175.6	-63.2	165.5	0	0	0	112.7	Y328 K342 C343 S344 S348	Y328-L346 HydrophobicContact CD2-CD1 4.23Å; Y328-L346 HydrophobicContact CE1-CD1 4.22Å; Y328-L346 HydrophobicContact CE2-CD1 3.57Å; K342-L346 HydrophobicContact CG-CD1 4.37Å; K342-L346 WeakPolarHBondContact O-CD1 3.36Å; K342-L346 VanDerWaalsContact O-CG 3.26Å; K342-L346 WeakPolarHBondContact O-CG 3.33Å; K342-L346 PolarHBondContact O-N 2.92Å; C343-L346 CarbonylContact O-C 3.58Å; C343-L346 VanDerWaalsContact O-C 3.31Å; C343-L346 WeakPolarHBondContact O-CA 3.33Å; C343-L346 WeakPolarHBondContact O-CB 3.44Å; C343-L346 PolarHBondContact O-N 2.79Å; S344-L346 PolarHBondContact O-N 2.59Å; L346-S348 PolarHBondContact O-N 3.01Å; L346-S348 VanDerWaalsContact O-N 3.14Å; L346-S348 PolarHBondContact O-OG 2.84Å
347	N	83.2	Confident	78.2	Confident	154 Å²	154	66.2 Å²	66.2	82%	0.824	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	39.5	-175.4	-68.2	-32.2	0	0	0	113	C343 S344 Y345	C343-N347 PolarHBondContact O-N 3.49Å; S344-N347 WeakPolarHBondContact O-CA 2.97Å; S344-N347 PolarHBondContact O-N 2.8Å; Y345-N347 VanDerWaalsContact C-N 3.32Å
348	S	84.6	Confident	77.3	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.063	32%	0.323	C	S	.	.			trans	-139.1	167.6	-172.3	-62.6	0	0	0	0	110.6	C343 S344 L346 K440	C343-S348 CarbonylContact C-O 3.49Å; C343-S348 CarbonylContact O-C 3.53Å; C343-S348 WeakPolarHBondContact O-CA 3.49Å; C343-S348 WeakPolarHBondContact O-CB 3.49Å; C343-S348 PolarHBondContact O-N 3.02Å; S344-S348 WeakPolarHBondContact CA-O 3.16Å; S344-S348 PolarHBondContact N-O 3.27Å; L346-S348 PolarHBondContact O-N 3.01Å; L346-S348 VanDerWaalsContact O-N 3.14Å; L346-S348 PolarHBondContact O-OG 2.84Å; S348-K440 CarbonylContact C-O 3.6Å; S348-K440 WeakPolarHBondContact CA-O 3.36Å; S348-K440 WeakPolarHBondContact CB-O 3.39Å
349	L	85.3	Confident	76.4	Confident	123 Å²	123	62.7 Å²	62.7	64%	0.644	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-120.4	158.3	178.1	-63.6	173.6	0	0	0	110.7	C439 K440	L349-C439 CarbonylContact O-C 3.58Å; L349-C439 WeakPolarHBondContact O-CA 3.34Å; L349-K440 PolarHBondContact N-O 2.77Å; L349-K440 WeakPolarHBondContact O-CB 3.44Å; L349-K440 PolarHBondContact O-N 3.22Å
350	L	84.2	Confident	75.3	Confident	11 Å²	11	63.6 Å²	63.6	6%	0.058	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.3	138.6	166.1	-71.7	171.4	0	0	0	109.5	W336 A339 A340 L437	W336-L350 HydrophobicContact CD2-CD1 4.29Å; W336-L350 HydrophobicContact CZ2-CD1 4.04Å; A339-L350 HydrophobicContact CB-CD1 4.16Å; A339-L350 HydrophobicContact CB-CD2 3.89Å; A340-L350 HydrophobicContact CB-CD1 3.88Å; A340-L350 HydrophobicContact CB-CG 4.49Å; L350-L437 HydrophobicContact CD2-CD1 3.99Å
351	P	78.4	Confident	74.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-70.3	142.4	-178.5	30.9	-37.9	0	0	0	111.5	F325 D355 M356 G389 V438 K440	F325-P351 HydrophobicContact CD1-CB 4.24Å; F325-P351 HydrophobicContact CE1-CB 3.91Å; P351-D355 HydrophobicContact CB-CB 4.42Å; P351-M356 HydrophobicContact CB-SD 3.52Å; P351-M356 VanDerWaalsContact CB-SD 3.52Å; P351-M356 HydrophobicContact CG-SD 3.41Å; P351-M356 WeakPolarHBondContact CG-SD 3.35Å; P351-G389 PolarHBondContact O-N 3.28Å; P351-V438 WeakPolarHBondContact CD-O 3.29Å; P351-V438 HydrophobicContact CG-CB 4.11Å; P351-V438 HydrophobicContact CG-CG1 3.94Å; P351-K440 HydrophobicContact CB-CB 4.44Å
352	K	75.4	Confident	72.9	Confident	85 Å²	85	64.9 Å²	64.9	37%	0.37	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-80.2	156	174.8	-54	178.6	159.6	-77.2	0	109.7	N354 D355 M356 D390	K352-N354 PolarHBondContact O-N 3.5Å; K352-D355 VanDerWaalsContact CB-OD2 3.24Å; K352-D355 WeakPolarHBondContact CB-OD2 3.42Å; K352-D355 WeakPolarHBondContact CG-OD2 3.15Å; K352-D355 PolarHBondContact N-OD2 3.35Å; K352-D355 WeakPolarHBondContact O-CA 3.28Å; K352-D355 WeakPolarHBondContact O-CB 3.22Å; K352-D355 PolarHBondContact O-N 3.49Å; K352-M356 WeakPolarHBondContact O-CG 3.47Å; K352-M356 PolarHBondContact O-N 3.1Å; K352-M356 VanDerWaalsContact O-N 3.09Å; K352-D390 HydrophobicContact CB-CB 4.37Å; K352-D390 VanDerWaalsContact CB-OD2 3.31Å; K352-D390 WeakPolarHBondContact CB-OD2 3.27Å; K352-D390 WeakPolarHBondContact CD-OD2 3.41Å; K352-D390 HydrophobicContact CG-CB 4.49Å; K352-D390 VanDerWaalsContact CG-CG 3.49Å; K352-D390 WeakPolarHBondContact CG-OD2 3.49Å; K352-D390 IonicContact NZ-OD1 3.41Å; K352-D390 PolarHBondContact NZ-OD1 2.93Å; K352-D390 IonicContact NZ-OD2 3.26Å; K352-D390 PolarHBondContact NZ-OD2 2.86Å
353	V	66.7	Low	71.6	Confident	30 Å²	30	63 Å²	63	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-36.8	178.9	179.9	0	0	0	0	112.8	D355 M356 L388 L392 V427	V353-D355 PolarHBondContact O-N 3.13Å; V353-M356 WeakPolarHBondContact O-CB 3.4Å; V353-M356 PolarHBondContact O-N 3.12Å; V353-L388 HydrophobicContact CG2-CB 4.45Å; V353-L388 HydrophobicContact CG2-CD1 3.66Å; V353-L388 HydrophobicContact CG2-CD2 4.1Å; V353-L388 HydrophobicContact CG2-CG 4.28Å; V353-L392 HydrophobicContact CB-CD1 4.45Å; V353-L392 HydrophobicContact CB-CD2 3.69Å; V353-L392 HydrophobicContact CB-CG 4.25Å; V353-L392 HydrophobicContact CG1-CD1 4.16Å; V353-L392 HydrophobicContact CG1-CD2 4.05Å; V353-L392 HydrophobicContact CG1-CG 4.48Å; V353-L392 HydrophobicContact CG2-CD1 4.02Å; V353-L392 HydrophobicContact CG2-CD2 3.65Å; V353-L392 HydrophobicContact CG2-CG 3.69Å; V353-V427 HydrophobicContact CG1-CG2 4.14Å; V353-V427 HydrophobicContact CG2-CG1 4.48Å; V353-V427 HydrophobicContact CG2-CG2 4.48Å
354	N	63.2	Low	69.9	Low	132 Å²	132	67.3 Å²	67.3	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-64.1	-25.7	174.6	-68.8	-23.6	0	0	0	113.2	K352 Y358	K352-N354 PolarHBondContact O-N 3.5Å; N354-Y358 WeakPolarHBondContact O-CE2 3.23Å
355	D	67.7	Low	68.2	Low	11 Å²	11	66.5 Å²	66.5	6%	0.059	31%	0.314	C	S	.	.	H	α-helix	trans	-78.9	-30.7	172.6	-53.7	-44.7	0	0	0	111.6	V316 F325 P351 K352 V353 R357 Y358 K440	V316-D355 WeakPolarHBondContact CG1-OD1 3.44Å; F325-D355 HydrophobicContact CE1-CB 3.92Å; F325-D355 HydrophobicContact CZ-CB 3.88Å; P351-D355 HydrophobicContact CB-CB 4.42Å; K352-D355 VanDerWaalsContact CB-OD2 3.24Å; K352-D355 WeakPolarHBondContact CB-OD2 3.42Å; K352-D355 WeakPolarHBondContact CG-OD2 3.15Å; K352-D355 PolarHBondContact N-OD2 3.35Å; K352-D355 WeakPolarHBondContact O-CA 3.28Å; K352-D355 WeakPolarHBondContact O-CB 3.22Å; K352-D355 PolarHBondContact O-N 3.49Å; V353-D355 PolarHBondContact O-N 3.13Å; D355-R357 PolarHBondContact O-N 3.2Å; D355-Y358 WeakPolarHBondContact O-CD2 3.49Å; D355-Y358 PolarHBondContact O-N 3.3Å; D355-Y358 VanDerWaalsContact O-N 3.08Å; D355-K440 IonicContact OD1-NZ 2.92Å; D355-K440 PolarHBondContact OD1-NZ 3.18Å; D355-K440 WeakPolarHBondContact OD2-CD 3.29Å; D355-K440 WeakPolarHBondContact OD2-CE 3.27Å; D355-K440 IonicContact OD2-NZ 2.75Å; D355-K440 PolarHBondContact OD2-NZ 3.35Å
356	M	63.7	Low	66.1	Low	10 Å²	10	61.8 Å²	61.8	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-27.2	-174.8	-66.1	-48.9	-50.4	0	0	114.2	P351 K352 V353 Y358 F359 Y360 F386 L388 L409	P351-M356 HydrophobicContact CB-SD 3.52Å; P351-M356 VanDerWaalsContact CB-SD 3.52Å; P351-M356 HydrophobicContact CG-SD 3.41Å; P351-M356 WeakPolarHBondContact CG-SD 3.35Å; K352-M356 WeakPolarHBondContact O-CG 3.47Å; K352-M356 PolarHBondContact O-N 3.1Å; K352-M356 VanDerWaalsContact O-N 3.09Å; V353-M356 WeakPolarHBondContact O-CB 3.4Å; V353-M356 PolarHBondContact O-N 3.12Å; M356-Y358 PolarHBondContact O-N 3.11Å; M356-Y358 VanDerWaalsContact O-N 3.16Å; M356-F359 HydrophobicContact CE-CB 3.86Å; M356-F359 HydrophobicContact CE-CD1 3.46Å; M356-F359 VanDerWaalsContact CE-CD1 3.46Å; M356-F359 HydrophobicContact CE-CE1 4.4Å; M356-F359 HydrophobicContact CE-CG 4.03Å; M356-F359 PolarHBondContact O-N 3.15Å; M356-F359 VanDerWaalsContact O-N 3.11Å; M356-Y360 WeakPolarHBondContact O-CB 3.29Å; M356-Y360 PolarHBondContact O-N 2.8Å; M356-F386 HydrophobicContact CE-CD2 4.4Å; M356-F386 HydrophobicContact CE-CE1 4.46Å; M356-F386 HydrophobicContact CE-CE2 3.17Å; M356-F386 HydrophobicContact CE-CZ 3.2Å; M356-F386 HydrophobicContact SD-CE2 3.81Å; M356-F386 HydrophobicContact SD-CZ 4.41Å; M356-L388 HydrophobicContact CG-CD2 3.54Å; M356-L388 HydrophobicContact SD-CD2 4.06Å; M356-L409 HydrophobicContact CE-CD2 4.38Å
357	R	60.7	Low	64.6	Low	187 Å²	187	65.5 Å²	65.5	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-57	-29.3	175.1	-168.7	176.9	-175.4	-170.6	2.3	112.7	D355 L421	D355-R357 PolarHBondContact O-N 3.2Å; R357-L421 HydrophobicContact CG-CD2 4.17Å
358	Y	59.2	Low	63.2	Low	76 Å²	76	59 Å²	59	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-84.5	-36.9	177.9	-55.7	-89.4	0	0	0	111.5	R315 V316 G317 N354 D355 M356	R315-Y358 WeakPolarHBondContact O-CD1 3.34Å; R315-Y358 VanDerWaalsContact O-CE1 3.26Å; R315-Y358 WeakPolarHBondContact O-CE1 3.42Å; V316-Y358 HydrophobicContact CB-CD2 4.39Å; V316-Y358 HydrophobicContact CB-CE2 4.39Å; V316-Y358 HydrophobicContact CG1-CD2 4.03Å; V316-Y358 HydrophobicContact CG1-CE2 3.85Å; V316-Y358 HydrophobicContact CG2-CD2 3.95Å; V316-Y358 HydrophobicContact CG2-CE2 4.44Å; V316-Y358 HydrophobicContact CG2-CG 4.05Å; G317-Y358 PolarHBondContact N-OH 2.89Å; N354-Y358 WeakPolarHBondContact O-CE2 3.23Å; D355-Y358 WeakPolarHBondContact O-CD2 3.49Å; D355-Y358 PolarHBondContact O-N 3.3Å; D355-Y358 VanDerWaalsContact O-N 3.08Å; M356-Y358 PolarHBondContact O-N 3.11Å; M356-Y358 VanDerWaalsContact O-N 3.16Å
359	F	63.2	Low	61.7	Low	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-32.3	178.6	-172.3	-109.7	0	0	0	113.8	F325 W327 M356 K361 T362 L363 V438	F325-F359 HydrophobicContact CB-CD2 3.44Å; F325-F359 VanDerWaalsContact CB-CD2 3.44Å; F325-F359 HydrophobicContact CB-CE2 3.68Å; F325-F359 HydrophobicContact CB-CG 4.49Å; F325-F359 HydrophobicContact CD1-CB 4.25Å; F325-F359 HydrophobicContact CD1-CD2 4.07Å; F325-F359 HydrophobicContact CD1-CG 4.38Å; F325-F359 HydrophobicContact CD2-CD2 4.41Å; F325-F359 HydrophobicContact CE1-CB 4.38Å; F325-F359 HydrophobicContact CG-CB 4.41Å; F325-F359 AromaticContact CG-CD2 3.74Å; F325-F359 HydrophobicContact CG-CD2 3.74Å; F325-F359 HydrophobicContact CG-CE2 4.45Å; F325-F359 HydrophobicContact CG-CG 4.43Å; W327-F359 HydrophobicContact CB-CZ 4.37Å; W327-F359 HydrophobicContact CD2-CE2 4.28Å; W327-F359 HydrophobicContact CD2-CZ 4.14Å; W327-F359 AromaticContact CE3-CE2 3.46Å; W327-F359 HydrophobicContact CE3-CE2 3.46Å; W327-F359 VanDerWaalsContact CE3-CE2 3.46Å; W327-F359 AromaticContact CE3-CZ 3.77Å; W327-F359 HydrophobicContact CE3-CZ 3.77Å; W327-F359 HydrophobicContact CG-CZ 4.44Å; W327-F359 AromaticContact CZ3-CE2 3.73Å; W327-F359 HydrophobicContact CZ3-CE2 3.73Å; W327-F359 HydrophobicContact CZ3-CZ 4.37Å; M356-F359 HydrophobicContact CE-CB 3.86Å; M356-F359 HydrophobicContact CE-CD1 3.46Å; M356-F359 VanDerWaalsContact CE-CD1 3.46Å; M356-F359 HydrophobicContact CE-CE1 4.4Å; M356-F359 HydrophobicContact CE-CG 4.03Å; M356-F359 PolarHBondContact O-N 3.15Å; M356-F359 VanDerWaalsContact O-N 3.11Å; F359-K361 VanDerWaalsContact C-N 3.27Å; F359-K361 PolarHBondContact O-N 2.83Å; F359-K361 VanDerWaalsContact O-N 3.16Å; F359-T362 VanDerWaalsContact O-CB 3.23Å; F359-T362 WeakPolarHBondContact O-CB 3.33Å; F359-T362 PolarHBondContact O-N 3.05Å; F359-T362 PolarHBondContact O-OG1 2.84Å; F359-L363 HydrophobicContact CD1-CD1 3.86Å; F359-L363 HydrophobicContact CD1-CG 4.11Å; F359-L363 HydrophobicContact CE1-CD1 3.65Å; F359-L363 HydrophobicContact CE1-CD2 3.77Å; F359-L363 HydrophobicContact CE1-CG 3.74Å; F359-L363 HydrophobicContact CZ-CD2 4.09Å; F359-L363 HydrophobicContact CZ-CG 4.4Å; F359-V438 HydrophobicContact CD1-CG1 4.24Å; F359-V438 HydrophobicContact CD1-CG2 4.49Å; F359-V438 HydrophobicContact CD2-CG1 4.32Å; F359-V438 HydrophobicContact CE1-CB 4.39Å; F359-V438 HydrophobicContact CE1-CG1 3.84Å; F359-V438 HydrophobicContact CE1-CG2 3.59Å; F359-V438 HydrophobicContact CE2-CG1 3.96Å; F359-V438 HydrophobicContact CG-CG1 4.44Å; F359-V438 HydrophobicContact CZ-CB 4.44Å; F359-V438 HydrophobicContact CZ-CG1 3.7Å; F359-V438 HydrophobicContact CZ-CG2 3.81Å
360	Y	58.7	Low	59.8	Low	19 Å²	19	56.1 Å²	56.1	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-52.2	-39.8	-176.1	-177.2	-94.4	0	0	0	114	M356 T362 L363 Q364 I411 L419 H420 L421	M356-Y360 WeakPolarHBondContact O-CB 3.29Å; M356-Y360 PolarHBondContact O-N 2.8Å; Y360-T362 PolarHBondContact O-N 3.08Å; Y360-L363 PolarHBondContact O-N 3.19Å; Y360-Q364 HydrophobicContact CE1-CG 4.44Å; Y360-I411 HydrophobicContact CD2-CD1 3.83Å; Y360-I411 HydrophobicContact CE2-CD1 3.97Å; Y360-L419 HydrophobicContact CE2-CD2 4.46Å; Y360-L419 WeakPolarHBondContact OH-CB 3.42Å; Y360-L419 VanDerWaalsContact OH-CD2 3.3Å; Y360-L419 WeakPolarHBondContact OH-CD2 3.4Å; Y360-L419 PolarHBondContact OH-O 2.87Å; Y360-H420 PolarHBondContact OH-O 3.38Å; Y360-L421 HydrophobicContact CD1-CD1 3.8Å; Y360-L421 HydrophobicContact CD1-CG 3.91Å; Y360-L421 HydrophobicContact CE1-CD1 3.82Å; Y360-L421 HydrophobicContact CE1-CG 3.93Å; Y360-L421 HydrophobicContact CG-CG 4.35Å
361	K	57.1	Low	58.2	Low	140 Å²	140	57.7 Å²	57.7	61%	0.609	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-10.1	176.1	-73.7	-170.7	175.6	-174.8	0	114.6	R312 F359	R312-K361 VanDerWaalsContact NH1-C 3.33Å; R312-K361 PolarHBondContact NH1-O 3.5Å; F359-K361 VanDerWaalsContact C-N 3.27Å; F359-K361 PolarHBondContact O-N 2.83Å; F359-K361 VanDerWaalsContact O-N 3.16Å
362	T	57.4	Low	56.8	Low	11 Å²	11	58.5 Å²	58.5	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-89.5	-38.9	179.1	-29.8	0	0	0	0	111	R312 W327 F359 Y360 Q364 S365	R312-T362 HydrophobicContact CB-CG2 4.22Å; R312-T362 WeakPolarHBondContact CD-OG1 3.19Å; R312-T362 VanDerWaalsContact NH1-CA 3.32Å; R312-T362 PolarHBondContact NH1-OG1 2.8Å; W327-T362 HydrophobicContact CH2-CG2 3.5Å; W327-T362 VanDerWaalsContact CH2-CG2 3.5Å; W327-T362 HydrophobicContact CZ2-CG2 4.18Å; W327-T362 HydrophobicContact CZ3-CG2 4.04Å; F359-T362 VanDerWaalsContact O-CB 3.23Å; F359-T362 WeakPolarHBondContact O-CB 3.33Å; F359-T362 PolarHBondContact O-N 3.05Å; F359-T362 PolarHBondContact O-OG1 2.84Å; Y360-T362 PolarHBondContact O-N 3.08Å; T362-Q364 PolarHBondContact O-N 2.95Å; T362-S365 WeakPolarHBondContact O-CB 3.32Å; T362-S365 PolarHBondContact O-N 3.14Å; T362-S365 PolarHBondContact O-OG 2.78Å
363	L	58.1	Low	55.4	Low	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-72.2	-14.2	179.9	-59.6	176.5	0	0	0	112.9	F359 Y360 S365 I368 I369 F386 I411 L436	F359-L363 HydrophobicContact CD1-CD1 3.86Å; F359-L363 HydrophobicContact CD1-CG 4.11Å; F359-L363 HydrophobicContact CE1-CD1 3.65Å; F359-L363 HydrophobicContact CE1-CD2 3.77Å; F359-L363 HydrophobicContact CE1-CG 3.74Å; F359-L363 HydrophobicContact CZ-CD2 4.09Å; F359-L363 HydrophobicContact CZ-CG 4.4Å; Y360-L363 PolarHBondContact O-N 3.19Å; L363-S365 PolarHBondContact O-N 3.04Å; L363-I368 HydrophobicContact CD2-CG2 4.44Å; L363-I369 WeakPolarHBondContact O-CD1 3.34Å; L363-F386 HydrophobicContact CD1-CE1 3.89Å; L363-F386 HydrophobicContact CD1-CZ 4.33Å; L363-I411 HydrophobicContact CD1-CD1 3.44Å; L363-I411 VanDerWaalsContact CD1-CD1 3.44Å; L363-L436 HydrophobicContact CD2-CD2 4.2Å
364	Q	51.6	Low	54.3	Low	92 Å²	92	64 Å²	64	43%	0.43	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.4	168.7	-75.3	-175.2	-26.9	0	0	113.7	Y360 T362 D366 L419	Y360-Q364 HydrophobicContact CE1-CG 4.44Å; T362-Q364 PolarHBondContact O-N 2.95Å; Q364-D366 PolarHBondContact O-N 3.03Å; Q364-L419 HydrophobicContact CG-CB 4.39Å; Q364-L419 PolarHBondContact NE2-O 3.45Å; Q364-L419 VanDerWaalsContact NE2-O 3.08Å
365	S	47.4	Very low	53.6	Low	57 Å²	57	62.3 Å²	62.3	40%	0.399	31%	0.314	S	S	.	.	S	Bend	trans	-73.1	114.9	177	-44.5	0	0	0	0	110.1	T362 L363 D367 I368	T362-S365 WeakPolarHBondContact O-CB 3.32Å; T362-S365 PolarHBondContact O-N 3.14Å; T362-S365 PolarHBondContact O-OG 2.78Å; L363-S365 PolarHBondContact O-N 3.04Å; S365-D367 PolarHBondContact O-N 3.11Å; S365-I368 PolarHBondContact O-N 2.95Å
366	D	41.3	Very low	52.3	Low	95 Å²	95	64.7 Å²	64.7	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-54.9	-30	-170.2	-79.6	-2.3	0	0	0	114.6	Q364 I368 S370 K413	Q364-D366 PolarHBondContact O-N 3.03Å; D366-I368 VanDerWaalsContact C-N 3.28Å; D366-I368 PolarHBondContact O-N 3.42Å; D366-S370 WeakPolarHBondContact O-CB 3.39Å; D366-S370 PolarHBondContact O-N 2.84Å; D366-S370 VanDerWaalsContact O-N 3.09Å; D366-S370 PolarHBondContact O-OG 2.74Å; D366-K413 VanDerWaalsContact CG-NZ 3.28Å; D366-K413 IonicContact OD1-NZ 2.77Å; D366-K413 PolarHBondContact OD1-NZ 3.19Å; D366-K413 IonicContact OD2-NZ 3.28Å
367	D	49.2	Very low	51.2	Low	131 Å²	131	73.6 Å²	73.6	70%	0.701	37%	0.373	S	S	*	.	H	α-helix	trans	-64.4	-29.5	179.7	-59.7	-42.2	0	0	0	113.2	S365 S371	S365-D367 PolarHBondContact O-N 3.11Å; D367-S371 WeakPolarHBondContact O-CB 3.49Å; D367-S371 PolarHBondContact O-OG 3.16Å
368	I	53.2	Low	50.3	Low	17 Å²	17	71 Å²	71	9%	0.087	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-59.1	-179.8	-57.5	178.9	0	0	0	109.3	W327 R329 L363 S365 D366 S371 I372	W327-I368 HydrophobicContact CZ2-CD1 4.01Å; R329-I368 PolarHBondContact NH2-O 3.33Å; L363-I368 HydrophobicContact CD2-CG2 4.44Å; S365-I368 PolarHBondContact O-N 2.95Å; D366-I368 VanDerWaalsContact C-N 3.28Å; D366-I368 PolarHBondContact O-N 3.42Å; I368-S371 PolarHBondContact O-OG 3.37Å; I368-S371 VanDerWaalsContact O-OG 3.06Å; I368-I372 HydrophobicContact CG2-CD1 4Å; I368-I372 WeakPolarHBondContact O-CG1 3.47Å; I368-I372 PolarHBondContact O-N 2.8Å
369	I	53.1	Low	49.1	Very low	9 Å²	9	77.3 Å²	77.3	5%	0.046	40%	0.402	C	S	.	.	H	α-helix	trans	-69.6	-40.3	-173.3	-56.5	-179.2	0	0	0	111.7	L363 S371 I372 S373 V384 K413 L419	L363-I369 WeakPolarHBondContact O-CD1 3.34Å; I369-S371 VanDerWaalsContact C-N 3.27Å; I369-S371 PolarHBondContact O-N 3.32Å; I369-I372 PolarHBondContact O-N 2.99Å; I369-I372 VanDerWaalsContact O-N 3.14Å; I369-S373 PolarHBondContact O-N 3.42Å; I369-V384 HydrophobicContact CG1-CG2 4.15Å; I369-K413 HydrophobicContact CD1-CB 4.08Å; I369-K413 HydrophobicContact CD1-CD 4.42Å; I369-K413 HydrophobicContact CG2-CB 4.07Å; I369-L419 HydrophobicContact CD1-CD1 3.87Å
370	S	46.3	Very low	48	Very low	63 Å²	63	82.6 Å²	82.6	44%	0.441	43%	0.434	S	S	.	.	H	α-helix	trans	-63.4	-32.5	-177.8	64.1	0	0	0	0	113	D366 S373	D366-S370 WeakPolarHBondContact O-CB 3.39Å; D366-S370 PolarHBondContact O-N 2.84Å; D366-S370 VanDerWaalsContact O-N 3.09Å; D366-S370 PolarHBondContact O-OG 2.74Å; S370-S373 PolarHBondContact O-OG 3.34Å
371	S	49.9	Very low	47.3	Very low	44 Å²	44	87.6 Å²	87.6	31%	0.308	46%	0.458	S	S	.	.	H	α-helix	trans	-83	-20.8	176.7	60	0	0	0	0	113.4	R329 D367 I368 I369	R329-S371 VanDerWaalsContact CZ-OG 3.3Å; R329-S371 VanDerWaalsContact NH1-CB 3.35Å; R329-S371 PolarHBondContact NH1-O 3.3Å; R329-S371 VanDerWaalsContact NH1-O 3.17Å; R329-S371 PolarHBondContact NH1-OG 2.98Å; R329-S371 PolarHBondContact NH2-OG 3.12Å; D367-S371 WeakPolarHBondContact O-CB 3.49Å; D367-S371 PolarHBondContact O-OG 3.16Å; I368-S371 PolarHBondContact O-OG 3.37Å; I368-S371 VanDerWaalsContact O-OG 3.06Å; I369-S371 VanDerWaalsContact C-N 3.27Å; I369-S371 PolarHBondContact O-N 3.32Å
372	I	49.6	Very low	46.8	Very low	17 Å²	17	83.9 Å²	83.9	9%	0.087	45%	0.45	C	S	.	.	H	α-helix	trans	-71.4	-40.9	174.3	-69	168.7	0	0	0	110.4	R329 I368 I369 K374 T375 V384	R329-I372 VanDerWaalsContact NH1-N 3.16Å; I368-I372 HydrophobicContact CG2-CD1 4Å; I368-I372 WeakPolarHBondContact O-CG1 3.47Å; I368-I372 PolarHBondContact O-N 2.8Å; I369-I372 PolarHBondContact O-N 2.99Å; I369-I372 VanDerWaalsContact O-N 3.14Å; I372-K374 PolarHBondContact O-N 2.85Å; I372-T375 PolarHBondContact O-N 2.69Å; I372-V384 HydrophobicContact CD1-CG1 4.26Å; I372-V384 HydrophobicContact CD1-CG2 3.56Å
373	S	46.8	Very low	47.1	Very low	46 Å²	46	83.8 Å²	83.8	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-61.8	-27.8	-178	68.4	0	0	0	0	114.2	I369 S370 T375 S382	I369-S373 PolarHBondContact O-N 3.42Å; S370-S373 PolarHBondContact O-OG 3.34Å; S373-T375 VanDerWaalsContact C-N 3.31Å; S373-T375 PolarHBondContact O-N 3.42Å; S373-S382 WeakPolarHBondContact CB-OG 3.41Å
374	K	43.2	Very low	47.5	Very low	186 Å²	186	83.8 Å²	83.8	81%	0.809	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.2	-177.9	-73.1	-175.5	177.7	177.8	0	114.5	I372	I372-K374 PolarHBondContact O-N 2.85Å
375	T	47.4	Very low	48.5	Very low	96 Å²	96	80.1 Å²	80.1	59%	0.589	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.7	-178	-28.5	0	0	0	0	112.8	I372 S373	I372-T375 PolarHBondContact O-N 2.69Å; S373-T375 VanDerWaalsContact C-N 3.31Å; S373-T375 PolarHBondContact O-N 3.42Å
376	S	41	Very low	50	Low	60 Å²	60	77.4 Å²	77.4	42%	0.42	42%	0.416	S	S	.	.			trans	-88	107.8	177.1	179	0	0	0	0	110.5	N378	S376-N378 PolarHBondContact O-N 3.07Å; S376-N378 VanDerWaalsContact O-N 3.14Å; S376-N378 PolarHBondContact OG-N 3.43Å; S376-N378 PolarHBondContact OG-O 3.5Å
377	E	41.3	Very low	51.9	Low	197 Å²	197	73.3 Å²	73.3	92%	0.921	39%	0.394	S	S	*	.	S	Bend	trans	-63.8	-14.1	173.2	-68.6	-173.7	136.6	0	0	113.2
378	N	41.5	Very low	53.1	Low	133 Å²	133	67.1 Å²	67.1	71%	0.711	36%	0.36	S	S	*	.	S	Bend	trans	-94	109.5	170	-85.6	-36.1	0	0	0	111.7	S376 T380	S376-N378 PolarHBondContact O-N 3.07Å; S376-N378 VanDerWaalsContact O-N 3.14Å; S376-N378 PolarHBondContact OG-N 3.43Å; S376-N378 PolarHBondContact OG-O 3.5Å; N378-T380 VanDerWaalsContact C-N 3.27Å; N378-T380 PolarHBondContact O-N 3.24Å; N378-T380 VanDerWaalsContact O-N 3.08Å
379	K	33.9	Very low	53.9	Low	209 Å²	209	67.4 Å²	67.4	91%	0.909	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	4.3	-168.3	-87	179.5	173.8	173.8	0	117.9
380	T	38.9	Very low	54.5	Low	110 Å²	110	69.3 Å²	69.3	68%	0.675	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-18.9	-163	47.8	0	0	0	0	116.6	N378	N378-T380 VanDerWaalsContact C-N 3.27Å; N378-T380 PolarHBondContact O-N 3.24Å; N378-T380 VanDerWaalsContact O-N 3.08Å
381	H	44.7	Very low	54.8	Low	125 Å²	125	69.6 Å²	69.6	58%	0.579	38%	0.377	S	S	*	.			trans	-132.9	97.1	-172.9	-64.9	79.6	0	0	0	112.1	G383	H381-G383 PolarHBondContact O-N 3.29Å
382	S	47.9	Very low	54.8	Low	61 Å²	61	69.1 Å²	69.1	43%	0.427	37%	0.371	S	S	.	.			trans	-81.3	71.5	170.3	-69.3	0	0	0	0	110.4	S373 K413	S373-S382 WeakPolarHBondContact CB-OG 3.41Å; S382-K413 PolarHBondContact O-N 2.95Å
383	G	62	Low	54.5	Low	10 Å²	10	74.7 Å²	74.7	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.5	-175	0	0	0	0	0	114.5	H381 I411 N435	H381-G383 PolarHBondContact O-N 3.29Å; G383-I411 CarbonylContact C-O 3.4Å; G383-I411 WeakPolarHBondContact CA-O 3.48Å; G383-N435 PolarHBondContact O-ND2 3.26Å
384	V	67.9	Low	54.2	Low	1 Å²	1	77.1 Å²	77.1	1%	0.006	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.5	175.3	-169.7	0	0	0	0	108.6	I369 I372 F386 T410 I411 L436	I369-V384 HydrophobicContact CG1-CG2 4.15Å; I372-V384 HydrophobicContact CD1-CG1 4.26Å; I372-V384 HydrophobicContact CD1-CG2 3.56Å; V384-F386 HydrophobicContact CG1-CD1 4.24Å; V384-T410 WeakPolarHBondContact O-CA 3.2Å; V384-I411 PolarHBondContact N-O 2.96Å; V384-I411 PolarHBondContact O-N 3.2Å; V384-L436 HydrophobicContact CG1-CB 3.6Å; V384-L436 HydrophobicContact CG1-CD2 3.69Å; V384-L436 HydrophobicContact CG1-CG 4.24Å
385	V	72.9	Confident	54.2	Low	16 Å²	16	69.4 Å²	69.4	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.5	-180	-175.7	0	0	0	0	108.7	C408 L409 T410 A434 N435 L436	V385-C408 HydrophobicContact CG1-CB 3.95Å; V385-L409 WeakPolarHBondContact CA-O 3.35Å; V385-T410 HydrophobicContact CG2-CG2 4.03Å; V385-A434 CarbonylContact O-C 2.99Å; V385-A434 VanDerWaalsContact O-CA 3.27Å; V385-A434 WeakPolarHBondContact O-CA 3.4Å; V385-N435 PolarHBondContact N-OD1 2.83Å; V385-N435 PolarHBondContact O-N 3.41Å; V385-N435 PolarHBondContact O-OD1 3.42Å; V385-N435 VanDerWaalsContact O-OD1 3.11Å; V385-L436 PolarHBondContact O-N 3.35Å
386	F	78.8	Confident	53.9	Low	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.3	174	55.3	-95.3	0	0	0	112.2	M356 L363 V384 L388 C408 L409 I411 L436 V438	M356-F386 HydrophobicContact CE-CD2 4.4Å; M356-F386 HydrophobicContact CE-CE1 4.46Å; M356-F386 HydrophobicContact CE-CE2 3.17Å; M356-F386 HydrophobicContact CE-CZ 3.2Å; M356-F386 HydrophobicContact SD-CE2 3.81Å; M356-F386 HydrophobicContact SD-CZ 4.41Å; L363-F386 HydrophobicContact CD1-CE1 3.89Å; L363-F386 HydrophobicContact CD1-CZ 4.33Å; V384-F386 HydrophobicContact CG1-CD1 4.24Å; F386-L388 HydrophobicContact CE2-CD2 4.14Å; F386-C408 VanDerWaalsContact O-CA 3.29Å; F386-C408 WeakPolarHBondContact O-CA 3.36Å; F386-L409 HydrophobicContact CD2-CB 4.24Å; F386-L409 HydrophobicContact CE1-CB 4.29Å; F386-L409 HydrophobicContact CE1-CD2 4.1Å; F386-L409 HydrophobicContact CE2-CB 3.63Å; F386-L409 HydrophobicContact CE2-CD2 4.01Å; F386-L409 HydrophobicContact CE2-CG 4.46Å; F386-L409 HydrophobicContact CZ-CB 3.69Å; F386-L409 HydrophobicContact CZ-CD2 3.37Å; F386-L409 HydrophobicContact CZ-CG 4.1Å; F386-L409 PolarHBondContact N-O 2.72Å; F386-L409 VanDerWaalsContact N-O 3.16Å; F386-L409 PolarHBondContact O-N 2.78Å; F386-I411 HydrophobicContact CE1-CD1 4.37Å; F386-L436 WeakPolarHBondContact CB-O 3.45Å; F386-L436 HydrophobicContact CD1-CD2 4.49Å; F386-V438 HydrophobicContact CB-CG2 4.31Å; F386-V438 HydrophobicContact CD1-CG2 4.22Å; F386-V438 HydrophobicContact CD2-CG2 4.17Å; F386-V438 HydrophobicContact CG-CG2 3.98Å
387	Y	80	Confident	54.4	Low	9 Å²	9	73.2 Å²	73.2	4%	0.035	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.1	179.9	-66.6	-55.9	0	0	0	112	I333 W336 A339 R406 T432 A434	I333-Y387 HydrophobicContact CG2-CD2 3.94Å; I333-Y387 HydrophobicContact CG2-CE2 3.77Å; W336-Y387 HydrophobicContact CB-CD1 4.28Å; W336-Y387 HydrophobicContact CB-CG 4.24Å; A339-Y387 HydrophobicContact CB-CD2 3.78Å; A339-Y387 HydrophobicContact CB-CG 4.47Å; Y387-R406 HydrophobicContact CD1-CB 3.97Å; Y387-R406 HydrophobicContact CE1-CB 3.74Å; Y387-R406 HydrophobicContact CE1-CG 4.31Å; Y387-T432 PolarHBondContact OH-O 2.83Å; Y387-A434 HydrophobicContact CD2-CB 3.53Å; Y387-A434 HydrophobicContact CE2-CB 3.5Å; Y387-A434 HydrophobicContact CG-CB 4.24Å
388	L	75.9	Confident	54.9	Low	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.373	C	S	.	.			trans	-105.8	138.9	-178.6	-65.3	162.8	0	0	0	110.2	W336 V353 M356 F386 D390 M407 L409 V427	W336-L388 PolarHBondContact NE1-O 2.8Å; V353-L388 HydrophobicContact CG2-CB 4.45Å; V353-L388 HydrophobicContact CG2-CD1 3.66Å; V353-L388 HydrophobicContact CG2-CD2 4.1Å; V353-L388 HydrophobicContact CG2-CG 4.28Å; M356-L388 HydrophobicContact CG-CD2 3.54Å; M356-L388 HydrophobicContact SD-CD2 4.06Å; F386-L388 HydrophobicContact CE2-CD2 4.14Å; L388-D390 PolarHBondContact O-N 2.95Å; L388-M407 PolarHBondContact N-O 3.28Å; L388-L409 HydrophobicContact CD1-CB 4.37Å; L388-L409 HydrophobicContact CD2-CB 4.35Å; L388-V427 HydrophobicContact CD1-CG1 3.66Å; L388-V427 HydrophobicContact CD1-CG2 4.39Å
389	G	68.1	Low	55.7	Low	23 Å²	23	63 Å²	63	24%	0.237	34%	0.341	C	S	.	.	S	Bend	trans	-69.7	-20.4	-178.1	0	0	0	0	0	114.4	P351	P351-G389 PolarHBondContact O-N 3.28Å
390	D	65.6	Low	57.1	Low	50 Å²	50	56.6 Å²	56.6	27%	0.267	32%	0.317	S	S	.	.	S	Bend	trans	-111.9	139.7	177.7	-75.4	-0.7	0	0	0	110.8	K352 L388	K352-D390 HydrophobicContact CB-CB 4.37Å; K352-D390 VanDerWaalsContact CB-OD2 3.31Å; K352-D390 WeakPolarHBondContact CB-OD2 3.27Å; K352-D390 WeakPolarHBondContact CD-OD2 3.41Å; K352-D390 HydrophobicContact CG-CB 4.49Å; K352-D390 VanDerWaalsContact CG-CG 3.49Å; K352-D390 WeakPolarHBondContact CG-OD2 3.49Å; K352-D390 IonicContact NZ-OD1 3.41Å; K352-D390 PolarHBondContact NZ-OD1 2.93Å; K352-D390 IonicContact NZ-OD2 3.26Å; K352-D390 PolarHBondContact NZ-OD2 2.86Å; L388-D390 PolarHBondContact O-N 2.95Å
391	V	53.8	Low	58.2	Low	68 Å²	68	56.5 Å²	56.5	41%	0.412	31%	0.311	S	S	.	.			trans	-77.2	124.3	160.2	-174.4	0	0	0	0	107.9	E393 Y398 M407	V391-E393 PolarHBondContact O-N 2.94Å; V391-E393 VanDerWaalsContact O-N 3.17Å; V391-Y398 HydrophobicContact CG1-CD2 4.05Å; V391-Y398 HydrophobicContact CG1-CE2 3.38Å; V391-M407 HydrophobicContact CB-CG 4.4Å; V391-M407 HydrophobicContact CG1-CG 4.02Å; V391-M407 HydrophobicContact CG2-CG 4.48Å
392	L	49.9	Very low	58.7	Low	34 Å²	34	59.6 Å²	59.6	18%	0.178	33%	0.326	C	S	.	.			trans	-70.8	112.2	170.6	-72.9	-175.9	0	0	0	108.8	V353 A394 T395 M407 V427	V353-L392 HydrophobicContact CB-CD1 4.45Å; V353-L392 HydrophobicContact CB-CD2 3.69Å; V353-L392 HydrophobicContact CB-CG 4.25Å; V353-L392 HydrophobicContact CG1-CD1 4.16Å; V353-L392 HydrophobicContact CG1-CD2 4.05Å; V353-L392 HydrophobicContact CG1-CG 4.48Å; V353-L392 HydrophobicContact CG2-CD1 4.02Å; V353-L392 HydrophobicContact CG2-CD2 3.65Å; V353-L392 HydrophobicContact CG2-CG 3.69Å; L392-A394 PolarHBondContact O-N 3.3Å; L392-A394 VanDerWaalsContact O-N 3.11Å; L392-T395 HydrophobicContact CB-CG2 4.29Å; L392-T395 WeakPolarHBondContact CB-OG1 3.12Å; L392-T395 HydrophobicContact CD1-CG2 3.51Å; L392-M407 HydrophobicContact CB-CE 3.66Å; L392-M407 HydrophobicContact CD1-CE 4.09Å; L392-M407 HydrophobicContact CG-CE 3.84Å; L392-V427 HydrophobicContact CD1-CB 4Å; L392-V427 HydrophobicContact CD1-CG1 3.52Å; L392-V427 HydrophobicContact CD1-CG2 4.25Å; L392-V427 HydrophobicContact CG-CG1 4.25Å
393	E	42.9	Very low	59.3	Low	134 Å²	134	59 Å²	59	63%	0.626	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	1.7	170.7	-55.8	-163.6	108	0	0	112.9	R56 V391	R56-E393 IonicContact NH1-OE1 3.7Å; R56-E393 PolarHBondContact NH1-OE1 3.03Å; V391-E393 PolarHBondContact O-N 2.94Å; V391-E393 VanDerWaalsContact O-N 3.17Å
394	A	39.8	Very low	59.1	Low	97 Å²	97	60.2 Å²	60.2	80%	0.802	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	5.5	-169.6	0	0	0	0	0	115.5	L392	L392-A394 PolarHBondContact O-N 3.3Å; L392-A394 VanDerWaalsContact O-N 3.11Å
395	T	43	Very low	59	Low	24 Å²	24	62.3 Å²	62.3	15%	0.147	34%	0.344	C	S	.	.			trans	-105.9	140.4	171.7	43.3	0	0	0	0	110.9	L392 D397	L392-T395 HydrophobicContact CB-CG2 4.29Å; L392-T395 WeakPolarHBondContact CB-OG1 3.12Å; L392-T395 HydrophobicContact CD1-CG2 3.51Å; T395-D397 PolarHBondContact O-N 3.08Å
396	M	42.3	Very low	58.7	Low	158 Å²	158	64.7 Å²	64.7	78%	0.778	35%	0.352	S	S	*	.	S	Bend	trans	-65.2	-28.8	176.4	-59.4	-162.6	-54	0	0	112.3	Y398	M396-Y398 PolarHBondContact O-N 2.89Å
397	D	50.4	Low	58.5	Low	78 Å²	78	65 Å²	65	42%	0.417	35%	0.353	S	S	.	.			trans	-76.7	60.7	176.5	-60.9	-6.8	0	0	0	111.3	T395 K428 S429	T395-D397 PolarHBondContact O-N 3.08Å; D397-K428 HydrophobicContact CB-CB 4.22Å; D397-K428 WeakPolarHBondContact OD2-CB 3.1Å; D397-S429 PolarHBondContact O-N 3.19Å
398	Y	52.4	Low	57.9	Low	107 Å²	107	64.5 Å²	64.5	42%	0.42	35%	0.351	S	S	.	.			trans	-73.9	130.3	176	-161.7	-84.8	0	0	0	109.8	V391 M396 N400	V391-Y398 HydrophobicContact CG1-CD2 4.05Å; V391-Y398 HydrophobicContact CG1-CE2 3.38Å; M396-Y398 PolarHBondContact O-N 2.89Å; Y398-N400 PolarHBondContact O-N 2.02Å
399	P	58.6	Low	57.7	Low	8 Å²	8	65.3 Å²	65.3	5%	0.052	36%	0.355	C	S	.	.			trans	-64.8	122.2	-176.7	27.6	-36.9	0	0	0	111.1	I401 E405 M407	P399-I401 PolarHBondContact O-N 3.37Å; P399-E405 HydrophobicContact CB-CB 3.96Å; P399-E405 WeakPolarHBondContact CB-O 3.18Å; P399-M407 VanDerWaalsContact CD-SD 3.57Å; P399-M407 HydrophobicContact CG-CG 3.91Å; P399-M407 HydrophobicContact CG-SD 4.27Å
400	N	63.2	Low	57.8	Low	75 Å²	75	64.8 Å²	64.8	40%	0.401	35%	0.348	S	S	.	.			trans	-68.3	99.9	167	179.2	-0.2	0	0	0	109.5	Y398 E402 S403 G404 E405	Y398-N400 PolarHBondContact O-N 2.02Å; N400-E402 PolarHBondContact O-N 3.16Å; N400-E402 WeakPolarHBondContact OD1-CB 3.42Å; N400-E402 PolarHBondContact OD1-N 2.96Å; N400-E402 VanDerWaalsContact OD1-N 3.13Å; N400-S403 WeakPolarHBondContact CB-OG 3.24Å; N400-S403 PolarHBondContact O-N 3.04Å; N400-S403 VanDerWaalsContact O-N 3.09Å; N400-S403 PolarHBondContact O-OG 3.27Å; N400-S403 PolarHBondContact OD1-N 2.87Å; N400-G404 PolarHBondContact O-N 3.22Å; N400-E405 PolarHBondContact N-OE2 3.01Å; N400-E405 VanDerWaalsContact N-OE2 3.09Å; N400-E405 PolarHBondContact O-N 3.26Å
401	I	62.1	Low	57.8	Low	108 Å²	108	62.7 Å²	62.7	55%	0.554	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.7	-35.3	-175.3	-58.2	177.6	0	0	0	111.1	P399 G404 R406	P399-I401 PolarHBondContact O-N 3.37Å; I401-G404 PolarHBondContact O-N 3.11Å; I401-R406 PolarHBondContact O-NH1 3.46Å
402	E	55.7	Low	58.3	Low	190 Å²	190	64 Å²	64	89%	0.888	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-69.8	-33.2	179.7	-55.3	-179.9	169.8	0	0	112.5	N400 G404	N400-E402 PolarHBondContact O-N 3.16Å; N400-E402 WeakPolarHBondContact OD1-CB 3.42Å; N400-E402 PolarHBondContact OD1-N 2.96Å; N400-E402 VanDerWaalsContact OD1-N 3.13Å; E402-G404 VanDerWaalsContact C-N 3.26Å; E402-G404 PolarHBondContact O-N 3.17Å
403	S	58.9	Low	58.6	Low	49 Å²	49	65.3 Å²	65.3	34%	0.343	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-78	-9.2	174	73.8	0	0	0	0	113.6	N400 E405	N400-S403 WeakPolarHBondContact CB-OG 3.24Å; N400-S403 PolarHBondContact O-N 3.04Å; N400-S403 VanDerWaalsContact O-N 3.09Å; N400-S403 PolarHBondContact O-OG 3.27Å; N400-S403 PolarHBondContact OD1-N 2.87Å; S403-E405 WeakPolarHBondContact OG-CG 3.18Å; S403-E405 PolarHBondContact OG-N 3.32Å; S403-E405 PolarHBondContact OG-OE1 2.9Å
404	G	58.7	Low	59.3	Low	36 Å²	36	63.2 Å²	63.2	37%	0.371	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-3.1	-174.6	0	0	0	0	0	114.6	N400 I401 E402 R406	N400-G404 PolarHBondContact O-N 3.22Å; I401-G404 PolarHBondContact O-N 3.11Å; E402-G404 VanDerWaalsContact C-N 3.26Å; E402-G404 PolarHBondContact O-N 3.17Å; G404-R406 VanDerWaalsContact C-NH1 3.25Å; G404-R406 PolarHBondContact O-NH1 3.49Å
405	E	65.2	Low	59.8	Low	44 Å²	44	64.4 Å²	64.4	21%	0.206	34%	0.338	C	S	.	.			trans	-58	145.6	174.4	-80.9	165.8	-134.8	0	0	112.5	P399 N400 S403 S429 C430 L431	P399-E405 HydrophobicContact CB-CB 3.96Å; P399-E405 WeakPolarHBondContact CB-O 3.18Å; N400-E405 PolarHBondContact N-OE2 3.01Å; N400-E405 VanDerWaalsContact N-OE2 3.09Å; N400-E405 PolarHBondContact O-N 3.26Å; S403-E405 WeakPolarHBondContact OG-CG 3.18Å; S403-E405 PolarHBondContact OG-N 3.32Å; S403-E405 PolarHBondContact OG-OE1 2.9Å; E405-S429 VanDerWaalsContact OE2-CB 3.23Å; E405-S429 WeakPolarHBondContact OE2-CB 3.23Å; E405-S429 PolarHBondContact OE2-OG 3.37Å; E405-C430 WeakPolarHBondContact CA-O 3.46Å; E405-L431 HydrophobicContact CG-CB 4.42Å; E405-L431 HydrophobicContact CG-CD1 4.12Å; E405-L431 HydrophobicContact CG-CG 4.35Å
406	R	68.4	Low	59.9	Low	67 Å²	67	67.5 Å²	67.5	25%	0.253	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.4	176.2	-55	-67	176.2	-103	5.4	110	W336 Y387 I401 G404 C408 C430	W336-R406 HydrophobicContact CB-CB 4.12Å; W336-R406 HydrophobicContact CB-CG 3.85Å; Y387-R406 HydrophobicContact CD1-CB 3.97Å; Y387-R406 HydrophobicContact CE1-CB 3.74Å; Y387-R406 HydrophobicContact CE1-CG 4.31Å; I401-R406 PolarHBondContact O-NH1 3.46Å; G404-R406 VanDerWaalsContact C-NH1 3.25Å; G404-R406 PolarHBondContact O-NH1 3.49Å; R406-C408 PolarHBondContact O-N 3.26Å; R406-C430 PolarHBondContact N-O 3.02Å; R406-C430 PolarHBondContact O-N 3.13Å
407	M	72.8	Confident	60.3	Low	5 Å²	5	62.7 Å²	62.7	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.4	174	-73.4	-61.5	-73.6	0	0	110.9	L388 V391 L392 P399 V427	L388-M407 PolarHBondContact N-O 3.28Å; V391-M407 HydrophobicContact CB-CG 4.4Å; V391-M407 HydrophobicContact CG1-CG 4.02Å; V391-M407 HydrophobicContact CG2-CG 4.48Å; L392-M407 HydrophobicContact CB-CE 3.66Å; L392-M407 HydrophobicContact CD1-CE 4.09Å; L392-M407 HydrophobicContact CG-CE 3.84Å; P399-M407 VanDerWaalsContact CD-SD 3.57Å; P399-M407 HydrophobicContact CG-CG 3.91Å; P399-M407 HydrophobicContact CG-SD 4.27Å; M407-V427 HydrophobicContact CE-CG1 3.26Å
408	C	69	Low	59.9	Low	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.2	176.6	63.6	0	0	0	0	110.4	V385 F386 R406 V427 K428 C430	V385-C408 HydrophobicContact CG1-CB 3.95Å; F386-C408 VanDerWaalsContact O-CA 3.29Å; F386-C408 WeakPolarHBondContact O-CA 3.36Å; R406-C408 PolarHBondContact O-N 3.26Å; C408-V427 WeakPolarHBondContact O-CA 3.23Å; C408-K428 PolarHBondContact N-O 2.95Å; C408-K428 PolarHBondContact O-N 3.2Å; C408-K428 PolarHBondContact SG-O 2.84Å; C408-C430 HydrophobicContact CB-CB 3.52Å; C408-C430 WeakPolarHBondContact CB-SG 3.27Å; C408-C430 WeakPolarHBondContact SG-CB 3.31Å; C408-C430 CovalentContact SG-SG 2.02Å; C408-C430 PolarHBondContact SG-SG 3.07Å
409	L	71.8	Confident	59.7	Low	17 Å²	17	62.7 Å²	62.7	9%	0.089	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.5	151	-165.3	79.9	0	0	0	107.9	M356 V385 F386 L388 I411 A426 V427	M356-L409 HydrophobicContact CE-CD2 4.38Å; V385-L409 WeakPolarHBondContact CA-O 3.35Å; F386-L409 HydrophobicContact CD2-CB 4.24Å; F386-L409 HydrophobicContact CE1-CB 4.29Å; F386-L409 HydrophobicContact CE1-CD2 4.1Å; F386-L409 HydrophobicContact CE2-CB 3.63Å; F386-L409 HydrophobicContact CE2-CD2 4.01Å; F386-L409 HydrophobicContact CE2-CG 4.46Å; F386-L409 HydrophobicContact CZ-CB 3.69Å; F386-L409 HydrophobicContact CZ-CD2 3.37Å; F386-L409 HydrophobicContact CZ-CG 4.1Å; F386-L409 PolarHBondContact N-O 2.72Å; F386-L409 VanDerWaalsContact N-O 3.16Å; F386-L409 PolarHBondContact O-N 2.78Å; L388-L409 HydrophobicContact CD1-CB 4.37Å; L388-L409 HydrophobicContact CD2-CB 4.35Å; L409-I411 HydrophobicContact CD2-CD1 3.6Å; L409-I411 HydrophobicContact CD2-CG1 3.73Å; L409-I411 HydrophobicContact CG-CD1 4.5Å; L409-I411 HydrophobicContact CG-CG1 4.1Å; L409-A426 WeakPolarHBondContact CA-O 3.32Å; L409-A426 HydrophobicContact CD1-CB 3.79Å; L409-A426 HydrophobicContact CG-CB 4.39Å; L409-V427 HydrophobicContact CD1-CB 4.28Å; L409-V427 HydrophobicContact CD1-CG2 3.32Å
410	T	68.7	Low	58.6	Low	12 Å²	12	68.8 Å²	68.8	7%	0.074	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.7	169.4	-59	0	0	0	0	108.8	V384 V385 E412 A426 K428 C430	V384-T410 WeakPolarHBondContact O-CA 3.2Å; V385-T410 HydrophobicContact CG2-CG2 4.03Å; T410-E412 HydrophobicContact CG2-CG 4.06Å; T410-E412 WeakPolarHBondContact CG2-OE1 3.21Å; T410-A426 PolarHBondContact N-O 3.25Å; T410-A426 WeakPolarHBondContact O-CB 3.48Å; T410-K428 VanDerWaalsContact OG1-CE 3.22Å; T410-K428 WeakPolarHBondContact OG1-CE 3.25Å; T410-C430 PolarHBondContact OG1-SG 3.19Å; T410-C430 VanDerWaalsContact OG1-SG 3.37Å
411	I	66.7	Low	57.5	Low	6 Å²	6	70 Å²	70	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.6	174.6	-62.5	-179.9	0	0	0	108.3	Y360 L363 G383 V384 F386 L409 L419	Y360-I411 HydrophobicContact CD2-CD1 3.83Å; Y360-I411 HydrophobicContact CE2-CD1 3.97Å; L363-I411 HydrophobicContact CD1-CD1 3.44Å; L363-I411 VanDerWaalsContact CD1-CD1 3.44Å; G383-I411 CarbonylContact C-O 3.4Å; G383-I411 WeakPolarHBondContact CA-O 3.48Å; V384-I411 PolarHBondContact N-O 2.96Å; V384-I411 PolarHBondContact O-N 3.2Å; F386-I411 HydrophobicContact CE1-CD1 4.37Å; L409-I411 HydrophobicContact CD2-CD1 3.6Å; L409-I411 HydrophobicContact CD2-CG1 3.73Å; L409-I411 HydrophobicContact CG-CD1 4.5Å; L409-I411 HydrophobicContact CG-CG1 4.1Å; I411-L419 HydrophobicContact CG2-CD1 3.99Å; I411-L419 HydrophobicContact CG2-CD2 3.63Å
412	E	63.5	Low	56.3	Low	95 Å²	95	67.2 Å²	67.2	44%	0.444	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.6	171.9	-72	163.7	-150.8	0	0	109.1	T410	T410-E412 HydrophobicContact CG2-CG 4.06Å; T410-E412 WeakPolarHBondContact CG2-OE1 3.21Å
413	K	57.4	Low	55.7	Low	61 Å²	61	64.7 Å²	64.7	27%	0.265	37%	0.373	S	S	.	.			trans	-98.9	104.6	173.5	-171.6	-177	177.9	-171.5	0	109.1	D366 I369 S382 L419	D366-K413 VanDerWaalsContact CG-NZ 3.28Å; D366-K413 IonicContact OD1-NZ 2.77Å; D366-K413 PolarHBondContact OD1-NZ 3.19Å; D366-K413 IonicContact OD2-NZ 3.28Å; I369-K413 HydrophobicContact CD1-CB 4.08Å; I369-K413 HydrophobicContact CD1-CD 4.42Å; I369-K413 HydrophobicContact CG2-CB 4.07Å; S382-K413 PolarHBondContact O-N 2.95Å; K413-L419 HydrophobicContact CB-CD1 4.04Å; K413-L419 HydrophobicContact CD-CD1 4.46Å; K413-L419 HydrophobicContact CG-CD1 4.03Å; K413-L419 HydrophobicContact CG-CG 4.49Å
414	V	57	Low	55.1	Low	90 Å²	90	66 Å²	66	55%	0.545	38%	0.382	S	S	.	.			trans	-72.3	128.3	169.3	-177	0	0	0	0	108.5	G416 S417	V414-G416 PolarHBondContact O-N 3.4Å; V414-S417 PolarHBondContact O-N 2.75Å; V414-S417 PolarHBondContact O-OG 2.8Å
415	P	50.4	Low	54.6	Low	122 Å²	122	68 Å²	68	79%	0.792	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	128.3	176.8	-25.3	34.8	0	0	0	111.5	S417	P415-S417 PolarHBondContact O-N 3.29Å
416	G	45.8	Very low	54.2	Low	89 Å²	89	66.6 Å²	66.6	92%	0.918	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-9.5	178.9	0	0	0	0	0	116	V414	V414-G416 PolarHBondContact O-N 3.4Å
417	S	48.7	Very low	53.9	Low	58 Å²	58	64 Å²	64	41%	0.406	38%	0.378	S	S	.	.	S	Bend	trans	-88.9	147.3	170	74.3	0	0	0	0	111.5	V414 P415	V414-S417 PolarHBondContact O-N 2.75Å; V414-S417 PolarHBondContact O-OG 2.8Å; P415-S417 PolarHBondContact O-N 3.29Å
418	Q	43.6	Very low	53.5	Low	155 Å²	155	66.9 Å²	66.9	72%	0.724	39%	0.391	S	S	*	.			trans	-68.3	135.5	158.4	-73	-169.9	3.5	0	0	108.2	H420	Q418-H420 PolarHBondContact O-CD2 3.09Å; Q418-H420 VanDerWaalsContact O-CD2 3.29Å; Q418-H420 PolarHBondContact O-N 3.39Å
419	L	47.7	Very low	53.5	Low	29 Å²	29	68.4 Å²	68.4	15%	0.152	40%	0.402	C	S	.	.			trans	-67.6	86	163.3	-102.7	165.3	0	0	0	107.8	Y360 Q364 I369 I411 K413	Y360-L419 HydrophobicContact CE2-CD2 4.46Å; Y360-L419 WeakPolarHBondContact OH-CB 3.42Å; Y360-L419 VanDerWaalsContact OH-CD2 3.3Å; Y360-L419 WeakPolarHBondContact OH-CD2 3.4Å; Y360-L419 PolarHBondContact OH-O 2.87Å; Q364-L419 HydrophobicContact CG-CB 4.39Å; Q364-L419 PolarHBondContact NE2-O 3.45Å; Q364-L419 VanDerWaalsContact NE2-O 3.08Å; I369-L419 HydrophobicContact CD1-CD1 3.87Å; I411-L419 HydrophobicContact CG2-CD1 3.99Å; I411-L419 HydrophobicContact CG2-CD2 3.63Å; K413-L419 HydrophobicContact CB-CD1 4.04Å; K413-L419 HydrophobicContact CD-CD1 4.46Å; K413-L419 HydrophobicContact CG-CD1 4.03Å; K413-L419 HydrophobicContact CG-CG 4.49Å
420	H	36.1	Very low	53.3	Low	136 Å²	136	67.9 Å²	67.9	63%	0.63	40%	0.399	S	S	*	.			trans	-67.9	142.1	163.7	-72.3	-86.8	0	0	0	108.4	Y360 Q418 A422	Y360-H420 PolarHBondContact OH-O 3.38Å; Q418-H420 PolarHBondContact O-CD2 3.09Å; Q418-H420 VanDerWaalsContact O-CD2 3.29Å; Q418-H420 PolarHBondContact O-N 3.39Å; H420-A422 PolarHBondContact O-N 3.11Å
421	L	38.5	Very low	53.4	Low	100 Å²	100	73 Å²	73	52%	0.524	43%	0.425	S	S	.	.			trans	-55.4	103.5	171.2	-90.7	93.6	0	0	0	108.2	R357 Y360 E423	R357-L421 HydrophobicContact CG-CD2 4.17Å; Y360-L421 HydrophobicContact CD1-CD1 3.8Å; Y360-L421 HydrophobicContact CD1-CG 3.91Å; Y360-L421 HydrophobicContact CE1-CD1 3.82Å; Y360-L421 HydrophobicContact CE1-CG 3.93Å; Y360-L421 HydrophobicContact CG-CG 4.35Å; L421-E423 PolarHBondContact O-N 3.01Å
422	A	38.2	Very low	53.4	Low	50 Å²	50	76.5 Å²	76.5	41%	0.413	45%	0.447	S	S	.	.			trans	-62.2	112.1	-175.2	0	0	0	0	0	109.1	H420 S424 A426	H420-A422 PolarHBondContact O-N 3.11Å; A422-S424 PolarHBondContact O-N 2.93Å; A422-A426 HydrophobicContact CB-CB 3.48Å; A422-A426 VanDerWaalsContact CB-CB 3.48Å
423	E	43	Very low	53.7	Low	137 Å²	137	77.4 Å²	77.4	64%	0.64	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	94.7	-164	-58.8	-178.8	163.3	0	0	111.8	R105 L421 S425	R105-E423 IonicContact NH2-OE2 3.77Å; R105-E423 PolarHBondContact NH2-OE2 3.34Å; L421-E423 PolarHBondContact O-N 3.01Å; E423-S425 PolarHBondContact O-N 3.09Å; E423-S425 PolarHBondContact O-OG 3.18Å
424	S	45.1	Very low	54.4	Low	76 Å²	76	74.7 Å²	74.7	53%	0.531	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-12.7	-177	30.8	0	0	0	0	116.1	A422	A422-S424 PolarHBondContact O-N 2.93Å
425	S	48.5	Very low	55.3	Low	79 Å²	79	73.3 Å²	73.3	55%	0.552	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.2	-169.1	55	0	0	0	0	114.9	E423 V427	E423-S425 PolarHBondContact O-N 3.09Å; E423-S425 PolarHBondContact O-OG 3.18Å; S425-V427 VanDerWaalsContact C-N 3.25Å
426	A	57.1	Low	56.6	Low	14 Å²	14	67.5 Å²	67.5	12%	0.116	39%	0.392	C	S	.	.	S	Bend	trans	-74.4	-19	169	0	0	0	0	0	112.7	L409 T410 A422	L409-A426 WeakPolarHBondContact CA-O 3.32Å; L409-A426 HydrophobicContact CD1-CB 3.79Å; L409-A426 HydrophobicContact CG-CB 4.39Å; T410-A426 PolarHBondContact N-O 3.25Å; T410-A426 WeakPolarHBondContact O-CB 3.48Å; A422-A426 HydrophobicContact CB-CB 3.48Å; A422-A426 VanDerWaalsContact CB-CB 3.48Å
427	V	61.7	Low	58.4	Low	12 Å²	12	63.4 Å²	63.4	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111	171.6	-173.5	0	0	0	0	107.9	V353 L388 L392 M407 C408 L409 S425	V353-V427 HydrophobicContact CG1-CG2 4.14Å; V353-V427 HydrophobicContact CG2-CG1 4.48Å; V353-V427 HydrophobicContact CG2-CG2 4.48Å; L388-V427 HydrophobicContact CD1-CG1 3.66Å; L388-V427 HydrophobicContact CD1-CG2 4.39Å; L392-V427 HydrophobicContact CD1-CB 4Å; L392-V427 HydrophobicContact CD1-CG1 3.52Å; L392-V427 HydrophobicContact CD1-CG2 4.25Å; L392-V427 HydrophobicContact CG-CG1 4.25Å; M407-V427 HydrophobicContact CE-CG1 3.26Å; C408-V427 WeakPolarHBondContact O-CA 3.23Å; L409-V427 HydrophobicContact CD1-CB 4.28Å; L409-V427 HydrophobicContact CD1-CG2 3.32Å; S425-V427 VanDerWaalsContact C-N 3.25Å
428	K	65.4	Low	60.1	Low	67 Å²	67	60.7 Å²	60.7	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	172.3	-178	60.9	-174.8	177.1	-171.6	0	110.8	D397 C408 T410	D397-K428 HydrophobicContact CB-CB 4.22Å; D397-K428 WeakPolarHBondContact OD2-CB 3.1Å; C408-K428 PolarHBondContact N-O 2.95Å; C408-K428 PolarHBondContact O-N 3.2Å; C408-K428 PolarHBondContact SG-O 2.84Å; T410-K428 VanDerWaalsContact OG1-CE 3.22Å; T410-K428 WeakPolarHBondContact OG1-CE 3.25Å
429	S	68.7	Low	62.2	Low	32 Å²	32	53.3 Å²	53.3	22%	0.224	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.6	159.2	71.2	0	0	0	0	109.1	D397 E405	D397-S429 PolarHBondContact O-N 3.19Å; E405-S429 VanDerWaalsContact OE2-CB 3.23Å; E405-S429 WeakPolarHBondContact OE2-CB 3.23Å; E405-S429 PolarHBondContact OE2-OG 3.37Å
430	C	67.6	Low	64	Low	5 Å²	5	53.7 Å²	53.7	3%	0.034	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136	171.1	-75.6	0	0	0	0	110.1	E405 R406 C408 T410	E405-C430 WeakPolarHBondContact CA-O 3.46Å; R406-C430 PolarHBondContact N-O 3.02Å; R406-C430 PolarHBondContact O-N 3.13Å; C408-C430 HydrophobicContact CB-CB 3.52Å; C408-C430 WeakPolarHBondContact CB-SG 3.27Å; C408-C430 WeakPolarHBondContact SG-CB 3.31Å; C408-C430 CovalentContact SG-SG 2.02Å; C408-C430 PolarHBondContact SG-SG 3.07Å; T410-C430 PolarHBondContact OG1-SG 3.19Å; T410-C430 VanDerWaalsContact OG1-SG 3.37Å
431	L	70	Confident	66.3	Low	119 Å²	119	48.7 Å²	48.7	62%	0.623	28%	0.276	S	S	*	.			trans	-89.2	-17.8	160.6	-136.9	145.9	0	0	0	111.3	E405	E405-L431 HydrophobicContact CG-CB 4.42Å; E405-L431 HydrophobicContact CG-CD1 4.12Å; E405-L431 HydrophobicContact CG-CG 4.35Å
432	T	67	Low	68.4	Low	80 Å²	80	48.4 Å²	48.4	49%	0.491	27%	0.272	S	S	.	.	S	Bend	trans	-69.5	141	176.8	50.1	0	0	0	0	112.7	Y387	Y387-T432 PolarHBondContact OH-O 2.83Å
433	H	70.9	Confident	69.9	Low	114 Å²	114	49.1 Å²	49.1	53%	0.528	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-63.9	144.9	171.6	-60.9	-39.5	0	0	0	111.7	I333 R334 N435	I333-H433 WeakPolarHBondContact O-CB 3.23Å; R334-H433 WeakPolarHBondContact CA-ND1 3.12Å; R334-H433 PolarHBondContact O-CE1 3.18Å; R334-H433 PolarHBondContact O-ND1 3.18Å; R334-H433 VanDerWaalsContact O-ND1 3.07Å; H433-N435 PolarHBondContact O-N 3.24Å
434	A	71.9	Confident	70.4	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127	173.6	0	0	0	0	0	110.5	I333 V385 Y387	I333-A434 HydrophobicContact CB-CB 4.38Å; I333-A434 PolarHBondContact O-N 3.23Å; V385-A434 CarbonylContact O-C 2.99Å; V385-A434 VanDerWaalsContact O-CA 3.27Å; V385-A434 WeakPolarHBondContact O-CA 3.4Å; Y387-A434 HydrophobicContact CD2-CB 3.53Å; Y387-A434 HydrophobicContact CE2-CB 3.5Å; Y387-A434 HydrophobicContact CG-CB 4.24Å
435	N	74.6	Confident	70	Confident	61 Å²	61	47.9 Å²	47.9	33%	0.326	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-9.2	175.5	64.3	-8.4	0	0	0	113	G383 V385 H433	G383-N435 PolarHBondContact O-ND2 3.26Å; V385-N435 PolarHBondContact N-OD1 2.83Å; V385-N435 PolarHBondContact O-N 3.41Å; V385-N435 PolarHBondContact O-OD1 3.42Å; V385-N435 VanDerWaalsContact O-OD1 3.11Å; H433-N435 PolarHBondContact O-N 3.24Å
436	L	78.5	Confident	69.2	Low	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.2	169.2	-169.1	72.2	0	0	0	109.7	W327 R329 L363 V384 V385 F386 V438	W327-L436 HydrophobicContact CB-CD1 4.18Å; W327-L436 HydrophobicContact CB-CD2 4.33Å; W327-L436 HydrophobicContact CB-CG 4.31Å; R329-L436 HydrophobicContact CB-CD1 4.28Å; L363-L436 HydrophobicContact CD2-CD2 4.2Å; V384-L436 HydrophobicContact CG1-CB 3.6Å; V384-L436 HydrophobicContact CG1-CD2 3.69Å; V384-L436 HydrophobicContact CG1-CG 4.24Å; V385-L436 PolarHBondContact O-N 3.35Å; F386-L436 WeakPolarHBondContact CB-O 3.45Å; F386-L436 HydrophobicContact CD1-CD2 4.49Å; L436-V438 HydrophobicContact CD2-CG2 3.94Å; L436-V438 HydrophobicContact CG-CG2 4.28Å
437	L	84.2	Confident	67.8	Low	3 Å²	3	54.4 Å²	54.4	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	163.5	-176.4	53.4	0	0	0	108.9	W327 Y328 I333 A339 K342 L350 C439	W327-L437 CarbonylContact C-O 3.48Å; W327-L437 WeakPolarHBondContact CA-O 3.26Å; W327-L437 WeakPolarHBondContact CB-O 3.46Å; Y328-L437 HydrophobicContact CD2-CB 4.42Å; Y328-L437 HydrophobicContact CD2-CD2 4.19Å; Y328-L437 HydrophobicContact CD2-CG 4.35Å; Y328-L437 PolarHBondContact N-O 3.5Å; Y328-L437 PolarHBondContact O-N 3.05Å; I333-L437 HydrophobicContact CD1-CB 3.59Å; I333-L437 HydrophobicContact CD1-CD1 3.59Å; I333-L437 HydrophobicContact CD1-CD2 3.86Å; I333-L437 HydrophobicContact CD1-CG 3.85Å; A339-L437 HydrophobicContact CB-CD1 4.06Å; K342-L437 HydrophobicContact CB-CD2 4.08Å; K342-L437 HydrophobicContact CD-CD2 3.85Å; K342-L437 HydrophobicContact CG-CD2 3.73Å; L350-L437 HydrophobicContact CD2-CD1 3.99Å; L437-C439 VanDerWaalsContact CG-SG 3.57Å
438	V	83.6	Confident	66.4	Low	1 Å²	1	60.4 Å²	60.4	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.4	168.8	-173.1	0	0	0	0	107.8	F325 T326 W327 P351 F359 F386 L436	F325-V438 HydrophobicContact CD1-CG1 4.35Å; T326-V438 WeakPolarHBondContact O-CA 3.23Å; W327-V438 HydrophobicContact CB-CG2 4.42Å; P351-V438 WeakPolarHBondContact CD-O 3.29Å; P351-V438 HydrophobicContact CG-CB 4.11Å; P351-V438 HydrophobicContact CG-CG1 3.94Å; F359-V438 HydrophobicContact CD1-CG1 4.24Å; F359-V438 HydrophobicContact CD1-CG2 4.49Å; F359-V438 HydrophobicContact CD2-CG1 4.32Å; F359-V438 HydrophobicContact CE1-CB 4.39Å; F359-V438 HydrophobicContact CE1-CG1 3.84Å; F359-V438 HydrophobicContact CE1-CG2 3.59Å; F359-V438 HydrophobicContact CE2-CG1 3.96Å; F359-V438 HydrophobicContact CG-CG1 4.44Å; F359-V438 HydrophobicContact CZ-CB 4.44Å; F359-V438 HydrophobicContact CZ-CG1 3.7Å; F359-V438 HydrophobicContact CZ-CG2 3.81Å; F386-V438 HydrophobicContact CB-CG2 4.31Å; F386-V438 HydrophobicContact CD1-CG2 4.22Å; F386-V438 HydrophobicContact CD2-CG2 4.17Å; F386-V438 HydrophobicContact CG-CG2 3.98Å; L436-V438 HydrophobicContact CD2-CG2 3.94Å; L436-V438 HydrophobicContact CG-CG2 4.28Å
439	C	87.4	Confident	64.9	Low	0 Å²	0	63.3 Å²	63.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.5	179.1	-61.3	0	0	0	0	110.8	F325 T326 C343 L349 L437	F325-C439 CarbonylContact C-O 3.59Å; F325-C439 WeakPolarHBondContact CA-O 2.94Å; T326-C439 PolarHBondContact N-O 2.7Å; T326-C439 PolarHBondContact O-N 3.35Å; T326-C439 PolarHBondContact OG1-O 3.03Å; C343-C439 WeakPolarHBondContact CA-SG 3.21Å; C343-C439 HydrophobicContact CB-CB 3.83Å; C343-C439 WeakPolarHBondContact CB-SG 3.49Å; C343-C439 WeakPolarHBondContact SG-CA 2.91Å; C343-C439 WeakPolarHBondContact SG-CB 3.46Å; C343-C439 CovalentContact SG-SG 2.04Å; C343-C439 PolarHBondContact SG-SG 3.1Å; L349-C439 CarbonylContact O-C 3.58Å; L349-C439 WeakPolarHBondContact O-CA 3.34Å; L437-C439 VanDerWaalsContact CG-SG 3.57Å
440	K	86	Confident	63	Low	37 Å²	37	68.7 Å²	68.7	16%	0.161	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123	-172.1	-174.8	-163.6	178.2	-177	0	110.5	V323 N324 F325 S348 L349 P351 D355	V323-K440 HydrophobicContact CG1-CD 3.98Å; V323-K440 VanDerWaalsContact CG1-CE 3.47Å; V323-K440 HydrophobicContact CG1-CG 3.28Å; N324-K440 CarbonylContact O-C 3.56Å; N324-K440 WeakPolarHBondContact O-CA 3.43Å; F325-K440 HydrophobicContact CD1-CB 4.49Å; F325-K440 HydrophobicContact CD1-CG 4.48Å; F325-K440 HydrophobicContact CE1-CG 4.19Å; S348-K440 CarbonylContact C-O 3.6Å; S348-K440 WeakPolarHBondContact CA-O 3.36Å; S348-K440 WeakPolarHBondContact CB-O 3.39Å; L349-K440 PolarHBondContact N-O 2.77Å; L349-K440 WeakPolarHBondContact O-CB 3.44Å; L349-K440 PolarHBondContact O-N 3.22Å; P351-K440 HydrophobicContact CB-CB 4.44Å; D355-K440 IonicContact OD1-NZ 2.92Å; D355-K440 PolarHBondContact OD1-NZ 3.18Å; D355-K440 WeakPolarHBondContact OD2-CD 3.29Å; D355-K440 WeakPolarHBondContact OD2-CE 3.27Å; D355-K440 IonicContact OD2-NZ 2.75Å; D355-K440 PolarHBondContact OD2-NZ 3.35Å
441	S	84.7	Confident	61.5	Low	30 Å²	30	78.7 Å²	78.7	21%	0.21	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.7	171.2	37.7	0	0	0	0	111.5	V323 N324	V323-S441 CarbonylContact C-O 3.46Å; V323-S441 WeakPolarHBondContact CA-O 3.33Å; N324-S441 PolarHBondContact N-O 3.23Å; N324-S441 PolarHBondContact O-N 2.59Å
442	E	81.5	Confident	59.8	Low	95 Å²	95	79.5 Å²	79.5	44%	0.444	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.4	171	-64	-164.2	141.4	0	0	109.3	R321	R321-E442 IonicContact CZ-OE1 4Å; R321-E442 IonicContact NH1-OE1 2.9Å; R321-E442 PolarHBondContact NH1-OE1 3.03Å; R321-E442 IonicContact NH1-OE2 2.69Å
443	V	69.8	Low	58.3	Low	64 Å²	64	83.3 Å²	83.3	39%	0.388	46%	0.462	S	S	.	.	S	Bend	trans	-92.5	-30.9	-171.2	-180	0	0	0	0	113.2	V313 R322 N324	V313-V443 HydrophobicContact CG1-CG2 4.02Å; V313-V443 HydrophobicContact CG2-CG2 4.2Å; R322-V443 HydrophobicContact CB-CB 3.9Å; R322-V443 HydrophobicContact CB-CG2 4.37Å; R322-V443 PolarHBondContact O-N 3.16Å; N324-V443 HydrophobicContact CB-CG2 3.56Å
444	D	53.7	Low	56.5	Low	100 Å²	100	84.8 Å²	84.8	54%	0.535	47%	0.473	S	S	.	.			trans	-120	78.7	-170.2	-68.3	-42	0	0	0	110.5	R322	R322-D444 WeakPolarHBondContact CB-OD2 3.5Å; R322-D444 WeakPolarHBondContact CD-OD2 3.46Å; R322-D444 VanDerWaalsContact CG-OD2 3.3Å; R322-D444 WeakPolarHBondContact CG-OD2 3.33Å; R322-D444 IonicContact CZ-OD2 3.68Å; R322-D444 IonicContact NE-OD2 3.83Å; R322-D444 IonicContact NH1-OD1 3.65Å; R322-D444 IonicContact NH1-OD2 2.76Å; R322-D444 PolarHBondContact NH1-OD2 3.23Å
445	S	37.4	Very low	54.8	Low	87 Å²	87	89.2 Å²	89.2	61%	0.608	50%	0.504	S	S	*	.			trans	-143.6	39.3	173.2	54.8	0	0	0	0	113.5	S447	S445-S447 PolarHBondContact O-N 3.21Å
446	S	32.1	Very low	52.6	Low	115 Å²	115	97.2 Å²	97.2	80%	0.804	53%	0.531	S	S	*	.			trans	-63.2	133	166	58	0	0	0	0	111
447	S	26.8	Very low	50.5	Low	116 Å²	116	102 Å²	102	81%	0.811	56%	0.562	S	S	*	*			trans	77.8	73	173.5	84.3	0	0	0	0	119	S445	S445-S447 PolarHBondContact O-N 3.21Å
448	V	32.9	Very low	48	Very low	138 Å²	138	110.2 Å²	110.2	84%	0.836	60%	0.601	S	S	*	*	S	Bend	trans	-135.8	98.3	131.1	-175.6	0	0	0	0	109.2
449	T	32.8	Very low	45.3	Very low	127 Å²	127	117.8 Å²	117.8	78%	0.779	64%	0.638	S	S	*	*			trans	19.2	122.6	157.5	53.1	0	0	0	0	121.3
450	N	30.2	Very low	42.4	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	67%	0.667	S	S	*	*			trans	-49.6	141.6	149.9	-68.6	-3.1	0	0	0	111.7
451	Y	35.6	Very low	39.7	Very low	214 Å²	214	127.5 Å²	127.5	84%	0.839	70%	0.698	S	S	*	*				-158.8	109.8	127.5	-100.5	-71.1	0	0	0	107.8
452	D	35	Very low	37.4	Very low	136 Å²	136	133.8 Å²	133.8	73%	0.727	72%	0.721	S	S	*	*			trans	18.1	121.1	130.6	-44.2	-34.5	0	0	0	117.4
453	D	35.4	Very low	35.1	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	73%	0.734	S	S	*	*				-171.1	165.4	90.9	-150.5	-12.2	0	0	0	110.8
454	D	33.2	Very low	33.6	Very low	145 Å²	145	137 Å²	137	78%	0.775	74%	0.744	S	S	*	*			trans	-84.1	171.3	-164.4	-87.3	-48.7	0	0	0	116.6
455	S	34.9	Very low	32.8	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	76%	0.758	S	S	*	*			trans	92	105.7	144.3	73.4	0	0	0	0	122.1
456	Y	29.8	Very low	32.7	Very low	228 Å²	228	140.1 Å²	140.1	89%	0.894	75%	0.749	S	S	*	*			trans	67.3	156.8	143.7	-77	-82.2	0	0	0	119.1
457	P	34.7	Very low	32.9	Very low	101 Å²	101	141.5 Å²	141.5	66%	0.656	74%	0.736	S	S	*	*				-128	108.1	-126.9	35.2	-15.5	0	0	0	114.3
458	H	31	Very low	33	Very low	177 Å²	177	145 Å²	145	82%	0.819	74%	0.737	S	S	*	*			trans	-143.4	131.3	167.7	-87.9	-83.9	0	0	0	114
459	M	26.8	Very low	33.4	Very low	159 Å²	159	140.6 Å²	140.6	78%	0.783	72%	0.721	S	S	*	*	S	Bend	trans	37.6	129.3	143.7	-48.7	-164.1	96.1	0	0	121.3
460	C	27.4	Very low	33.9	Very low	91 Å²	91	140.9 Å²	140.9	62%	0.615	73%	0.725	S	S	*	*			trans	65.5	45.1	150.1	-60.7	0	0	0	0	118.4	F462	C460-F462 PolarHBondContact O-N 2.84Å
461	N	28.1	Very low	34.8	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	70%	0.7	S	S	*	*			trans	-71.5	93	164.2	-103.5	-17.3	0	0	0	111.9	V463	N461-V463 HydrophobicContact CB-CG2 4.22Å; N461-V463 PolarHBondContact O-N 3.37Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.3Å
462	F	36.5	Very low	35.8	Very low	162 Å²	162	129.2 Å²	129.2	71%	0.711	68%	0.68	S	S	*	*			trans	-72.7	41	164.4	-83.3	-90.4	0	0	0	112	M158 C460	M158-F462 HydrophobicContact CE-CE2 4.13Å; C460-F462 PolarHBondContact O-N 2.84Å
463	V	33.7	Very low	37.1	Very low	117 Å²	117	131.3 Å²	131.3	71%	0.709	68%	0.682	S	S	*	*			trans	-115.7	49	-168.4	-164	0	0	0	0	110.8	N461	N461-V463 HydrophobicContact CB-CG2 4.22Å; N461-V463 PolarHBondContact O-N 3.37Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.3Å
464	D	36.9	Very low	38.6	Very low	110 Å²	110	129.1 Å²	129.1	59%	0.588	66%	0.662	S	S	*	*			trans	-144.6	117.9	169.6	-144.1	-14	0	0	0	107.6	K466	D464-K466 VanDerWaalsContact CG-NZ 3.34Å; D464-K466 PolarHBondContact O-N 2.91Å; D464-K466 IonicContact OD1-NZ 3.37Å; D464-K466 PolarHBondContact OD1-NZ 2.81Å; D464-K466 IonicContact OD2-NZ 2.62Å; D464-K466 PolarHBondContact OD2-NZ 2.67Å; D464-K466 VanDerWaalsContact OD2-NZ 3.11Å
465	D	37.2	Very low	40.2	Very low	156 Å²	156	123 Å²	123	83%	0.834	63%	0.629	S	S	*	*			trans	-71	28.4	-168.8	-80.3	-44.7	0	0	0	114.6
466	K	35	Very low	41.6	Very low	96 Å²	96	122.5 Å²	122.5	42%	0.417	62%	0.619	S	S	.	*			trans	-107.5	68.3	-171.2	-64.9	178.6	-165.8	109.6	0	112	D464 F468	D464-K466 VanDerWaalsContact CG-NZ 3.34Å; D464-K466 PolarHBondContact O-N 2.91Å; D464-K466 IonicContact OD1-NZ 3.37Å; D464-K466 PolarHBondContact OD1-NZ 2.81Å; D464-K466 IonicContact OD2-NZ 2.62Å; D464-K466 PolarHBondContact OD2-NZ 2.67Å; D464-K466 VanDerWaalsContact OD2-NZ 3.11Å; K466-F468 HydrophobicContact CB-CD2 4.06Å; K466-F468 HydrophobicContact CB-CE2 3.7Å; K466-F468 HydrophobicContact CB-CZ 4.49Å; K466-F468 HydrophobicContact CD-CE2 4.16Å; K466-F468 HydrophobicContact CG-CE2 4.34Å; K466-F468 WeakPolarHBondContact O-CD2 3.4Å; K466-F468 PolarHBondContact O-N 2.91Å
467	W	36.7	Very low	43.3	Very low	144 Å²	144	115 Å²	115	55%	0.545	59%	0.594	S	S	.	*			trans	-65.9	99.1	165	-74.4	83.5	0	0	0	110.2	W173 G469 L471	W173-W467 AromaticContact CZ2-CE2 3.75Å; W173-W467 AromaticContact CZ2-CZ2 3.81Å; W173-W467 HydrophobicContact CZ2-CZ2 3.81Å; W173-W467 AromaticContact CZ2-NE1 3.42Å; W467-G469 PolarHBondContact O-N 2.74Å; W467-L471 HydrophobicContact CB-CD1 4.29Å
468	F	29.3	Very low	44.6	Very low	189 Å²	189	111.4 Å²	111.4	83%	0.829	57%	0.569	S	S	*	*			trans	-90.9	98.1	172.9	-75.6	-74.5	0	0	0	110.7	K466	K466-F468 HydrophobicContact CB-CD2 4.06Å; K466-F468 HydrophobicContact CB-CE2 3.7Å; K466-F468 HydrophobicContact CB-CZ 4.49Å; K466-F468 HydrophobicContact CD-CE2 4.16Å; K466-F468 HydrophobicContact CG-CE2 4.34Å; K466-F468 WeakPolarHBondContact O-CD2 3.4Å; K466-F468 PolarHBondContact O-N 2.91Å
469	G	41.1	Very low	46.2	Very low	47 Å²	47	107.9 Å²	107.9	49%	0.485	55%	0.551	S	S	.	*	S	Bend	trans	165.9	160.8	176.5	0	0	0	0	0	109.5	W467 L471	W467-G469 PolarHBondContact O-N 2.74Å; G469-L471 PolarHBondContact O-N 3.37Å
470	P	42.5	Very low	48	Very low	133 Å²	133	106.9 Å²	106.9	86%	0.864	55%	0.545	S	S	*	.			trans	-64	107.6	172.5	26.8	-32.2	0	0	0	108.7
471	L	50.4	Low	49.7	Very low	50 Å²	50	106.2 Å²	106.2	26%	0.262	53%	0.531	S	S	.	.			trans	-55.2	133.7	177.8	-84.6	78.3	0	0	0	108.8	W467 G469 K473 I475 L476	W467-L471 HydrophobicContact CB-CD1 4.29Å; G469-L471 PolarHBondContact O-N 3.37Å; L471-K473 PolarHBondContact O-N 3.17Å; L471-I475 HydrophobicContact CD2-CB 4.38Å; L471-I475 HydrophobicContact CD2-CG2 3.86Å; L471-L476 HydrophobicContact CB-CD1 4.41Å; L471-L476 HydrophobicContact CB-CD2 3.96Å; L471-L476 HydrophobicContact CB-CG 3.8Å; L471-L476 WeakPolarHBondContact O-CD1 3.41Å
472	P	56	Low	51.2	Low	64 Å²	64	100.1 Å²	100.1	42%	0.416	50%	0.502	S	S	.	.			trans	-50	140.2	175.3	-27.5	33.3	0	0	0	110.9	W474 I475 L476	P472-W474 HydrophobicContact CB-CG 4.38Å; P472-W474 PolarHBondContact O-N 3.06Å; P472-I475 HydrophobicContact CB-CG1 4.3Å; P472-I475 HydrophobicContact CG-CD1 4.18Å; P472-I475 HydrophobicContact CG-CG1 4.42Å; P472-I475 WeakPolarHBondContact O-CA 3.33Å; P472-I475 PolarHBondContact O-N 3.38Å; P472-L476 PolarHBondContact O-N 3.31Å; P472-L476 VanDerWaalsContact O-N 3.12Å
473	K	62.5	Low	52.3	Low	181 Å²	181	97.7 Å²	97.7	79%	0.787	49%	0.493	S	S	*	.	H	α-helix	trans	-50.6	-35.4	-175.2	-71.9	-176.4	178.3	177.9	0	112.7	L471 L476 D477	L471-K473 PolarHBondContact O-N 3.17Å; K473-L476 PolarHBondContact O-N 3.3Å; K473-D477 WeakPolarHBondContact O-CB 3.04Å; K473-D477 PolarHBondContact O-N 3.23Å
474	W	67.4	Low	53.1	Low	113 Å²	113	96 Å²	96	43%	0.428	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-32.2	176.6	71.1	-95.3	0	0	0	114.1	W166 I174 P472 D477 L478	W166-W474 AromaticContact CZ2-CH2 3.67Å; W166-W474 HydrophobicContact CZ2-CH2 3.67Å; W166-W474 AromaticContact CZ2-CZ2 3.83Å; W166-W474 HydrophobicContact CZ2-CZ2 3.83Å; I174-W474 HydrophobicContact CG2-CH2 4.38Å; I174-W474 HydrophobicContact CG2-CZ3 4.35Å; P472-W474 HydrophobicContact CB-CG 4.38Å; P472-W474 PolarHBondContact O-N 3.06Å; W474-D477 WeakPolarHBondContact O-CB 3.22Å; W474-L478 HydrophobicContact CE3-CD1 3.54Å; W474-L478 HydrophobicContact CE3-CG 4.45Å; W474-L478 HydrophobicContact CZ3-CD1 3.56Å; W474-L478 WeakPolarHBondContact O-CB 3.41Å; W474-L478 VanDerWaalsContact O-CG 3.27Å; W474-L478 WeakPolarHBondContact O-CG 3.35Å; W474-L478 PolarHBondContact O-N 3.47Å
475	I	67.1	Low	53.8	Low	17 Å²	17	96 Å²	96	9%	0.087	47%	0.468	C	S	.	.	H	α-helix	trans	-76.3	-37.7	173.7	-49.6	-172.9	0	0	0	110.5	W173 L471 P472 D477 L478 K479	W173-I475 HydrophobicContact CH2-CG2 4.39Å; W173-I475 HydrophobicContact CZ3-CG2 4.35Å; L471-I475 HydrophobicContact CD2-CB 4.38Å; L471-I475 HydrophobicContact CD2-CG2 3.86Å; P472-I475 HydrophobicContact CB-CG1 4.3Å; P472-I475 HydrophobicContact CG-CD1 4.18Å; P472-I475 HydrophobicContact CG-CG1 4.42Å; P472-I475 WeakPolarHBondContact O-CA 3.33Å; P472-I475 PolarHBondContact O-N 3.38Å; I475-D477 VanDerWaalsContact C-N 3.33Å; I475-L478 PolarHBondContact O-N 2.89Å; I475-K479 VanDerWaalsContact O-CB 3.32Å; I475-K479 WeakPolarHBondContact O-CB 3.46Å; I475-K479 PolarHBondContact O-N 3.37Å
476	L	63.6	Low	54.6	Low	88 Å²	88	95.9 Å²	95.9	46%	0.461	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-44.4	171.3	-71.6	170.7	0	0	0	111	L471 P472 K473 K479 Q480	L471-L476 HydrophobicContact CB-CD1 4.41Å; L471-L476 HydrophobicContact CB-CD2 3.96Å; L471-L476 HydrophobicContact CB-CG 3.8Å; L471-L476 WeakPolarHBondContact O-CD1 3.41Å; P472-L476 PolarHBondContact O-N 3.31Å; P472-L476 VanDerWaalsContact O-N 3.12Å; K473-L476 PolarHBondContact O-N 3.3Å; L476-K479 PolarHBondContact O-N 2.97Å; L476-Q480 WeakPolarHBondContact O-CB 3.46Å; L476-Q480 PolarHBondContact O-N 3.08Å
477	D	65.6	Low	55.7	Low	71 Å²	71	95.9 Å²	95.9	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-57.5	-46.9	171.8	-109.1	46.8	0	0	0	112.1	K473 W474 I475 K481	K473-D477 WeakPolarHBondContact O-CB 3.04Å; K473-D477 PolarHBondContact O-N 3.23Å; W474-D477 WeakPolarHBondContact O-CB 3.22Å; I475-D477 VanDerWaalsContact C-N 3.33Å; D477-K481 VanDerWaalsContact O-CB 3.23Å; D477-K481 WeakPolarHBondContact O-CB 2.98Å; D477-K481 VanDerWaalsContact O-CD 3.23Å; D477-K481 WeakPolarHBondContact O-CD 3.41Å; D477-K481 WeakPolarHBondContact O-CG 3.42Å; D477-K481 PolarHBondContact O-N 3.2Å; D477-K481 IonicContact OD2-NZ 3.45Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å
478	L	61.9	Low	56.8	Low	24 Å²	24	90.7 Å²	90.7	13%	0.126	45%	0.449	C	S	.	.	H	α-helix	trans	-63.9	-40.9	176.7	-77.5	174.8	0	0	0	111.9	A181 W474 I475 K481 A482	A181-L478 HydrophobicContact CB-CD2 3.37Å; W474-L478 HydrophobicContact CE3-CD1 3.54Å; W474-L478 HydrophobicContact CE3-CG 4.45Å; W474-L478 HydrophobicContact CZ3-CD1 3.56Å; W474-L478 WeakPolarHBondContact O-CB 3.41Å; W474-L478 VanDerWaalsContact O-CG 3.27Å; W474-L478 WeakPolarHBondContact O-CG 3.35Å; W474-L478 PolarHBondContact O-N 3.47Å; I475-L478 PolarHBondContact O-N 2.89Å; L478-K481 CarbonylContact O-C 3.52Å; L478-K481 PolarHBondContact O-N 3.21Å; L478-A482 VanDerWaalsContact O-CB 3.27Å; L478-A482 WeakPolarHBondContact O-CB 3.23Å; L478-A482 PolarHBondContact O-N 2.72Å
479	K	65.3	Low	58.5	Low	103 Å²	103	84 Å²	84	45%	0.448	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-46.8	177.4	-176	172.5	175.5	175.3	0	111	I475 L476 K481 A482 E483	I475-K479 VanDerWaalsContact O-CB 3.32Å; I475-K479 WeakPolarHBondContact O-CB 3.46Å; I475-K479 PolarHBondContact O-N 3.37Å; L476-K479 PolarHBondContact O-N 2.97Å; K479-K481 VanDerWaalsContact C-N 3.32Å; K479-K481 PolarHBondContact O-N 3.37Å; K479-A482 PolarHBondContact O-N 3.41Å; K479-E483 WeakPolarHBondContact CE-OE1 3.38Å; K479-E483 HydrophobicContact CG-CG 4.47Å; K479-E483 WeakPolarHBondContact O-CG 3.36Å; K479-E483 PolarHBondContact O-N 3.4Å
480	Q	64.3	Low	59.8	Low	138 Å²	138	83.9 Å²	83.9	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-63	-37.3	174.5	-165.6	-177.9	24.1	0	0	111.9	L476 A482	L476-Q480 WeakPolarHBondContact O-CB 3.46Å; L476-Q480 PolarHBondContact O-N 3.08Å; Q480-A482 VanDerWaalsContact C-N 3.31Å; Q480-A482 PolarHBondContact O-N 2.7Å
481	K	63.2	Low	60.9	Low	77 Å²	77	79.5 Å²	79.5	34%	0.335	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-28.5	172.3	-74.3	159.9	-174.6	155.1	0	112.6	D477 L478 K479 F484	D477-K481 VanDerWaalsContact O-CB 3.23Å; D477-K481 WeakPolarHBondContact O-CB 2.98Å; D477-K481 VanDerWaalsContact O-CD 3.23Å; D477-K481 WeakPolarHBondContact O-CD 3.41Å; D477-K481 WeakPolarHBondContact O-CG 3.42Å; D477-K481 PolarHBondContact O-N 3.2Å; D477-K481 IonicContact OD2-NZ 3.45Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å; L478-K481 CarbonylContact O-C 3.52Å; L478-K481 PolarHBondContact O-N 3.21Å; K479-K481 VanDerWaalsContact C-N 3.32Å; K479-K481 PolarHBondContact O-N 3.37Å; K481-F484 WeakPolarHBondContact O-CB 3.41Å
482	A	59.3	Low	62.1	Low	22 Å²	22	82.4 Å²	82.4	18%	0.182	39%	0.392	C	S	.	.	H	α-helix	trans	-86.2	-41.7	-179.8	0	0	0	0	0	113.6	L177 L478 K479 Q480 F484 R485	L177-A482 HydrophobicContact CD2-CB 3.36Å; L478-A482 VanDerWaalsContact O-CB 3.27Å; L478-A482 WeakPolarHBondContact O-CB 3.23Å; L478-A482 PolarHBondContact O-N 2.72Å; K479-A482 PolarHBondContact O-N 3.41Å; Q480-A482 VanDerWaalsContact C-N 3.31Å; Q480-A482 PolarHBondContact O-N 2.7Å; A482-F484 PolarHBondContact O-N 3.37Å; A482-R485 WeakPolarHBondContact O-CB 3.35Å; A482-R485 PolarHBondContact O-N 3.19Å
483	E	59.2	Low	62.8	Low	112 Å²	112	83.7 Å²	83.7	52%	0.523	39%	0.391	S	S	.	.	H	α-helix	trans	-56.8	-30.7	174.3	-76	173.5	-179.6	0	0	111.5	K479 R485 Q486	K479-E483 WeakPolarHBondContact CE-OE1 3.38Å; K479-E483 HydrophobicContact CG-CG 4.47Å; K479-E483 WeakPolarHBondContact O-CG 3.36Å; K479-E483 PolarHBondContact O-N 3.4Å; E483-R485 PolarHBondContact O-N 3.07Å; E483-Q486 PolarHBondContact O-N 2.81Å; E483-Q486 VanDerWaalsContact O-N 3.08Å
484	F	51.6	Low	63.2	Low	81 Å²	81	80.5 Å²	80.5	36%	0.355	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-51.6	-26.3	172.4	-158.7	-100.4	0	0	0	114.3	C189 K481 A482 Q486 H488	C189-F484 HydrophobicContact CB-CE1 4.16Å; K481-F484 WeakPolarHBondContact O-CB 3.41Å; A482-F484 PolarHBondContact O-N 3.37Å; F484-Q486 VanDerWaalsContact C-N 3.29Å; F484-Q486 PolarHBondContact O-N 3.01Å; F484-H488 HydrophobicContact CD1-CB 4.14Å; F484-H488 AromaticContact CD1-CG 3.74Å; F484-H488 AromaticContact CD1-ND1 3.61Å; F484-H488 AromaticContact CD2-CE1 3.79Å; F484-H488 AromaticContact CD2-ND1 3.95Å; F484-H488 HydrophobicContact CE1-CB 3.99Å; F484-H488 AromaticContact CE1-CD2 3.5Å; F484-H488 AromaticContact CE1-CE1 3.82Å; F484-H488 AromaticContact CE1-CG 3.39Å; F484-H488 AromaticContact CE1-ND1 3.58Å; F484-H488 AromaticContact CE1-NE2 3.81Å; F484-H488 AromaticContact CE2-CE1 3.44Å; F484-H488 VanDerWaalsContact CE2-CE1 3.44Å; F484-H488 WeakPolarHBondContact CE2-CE1 3.17Å; F484-H488 AromaticContact CE2-ND1 3.91Å; F484-H488 AromaticContact CE2-NE2 3.67Å; F484-H488 AromaticContact CG-ND1 3.81Å; F484-H488 AromaticContact CZ-CD2 3.48Å; F484-H488 VanDerWaalsContact CZ-CD2 3.48Å; F484-H488 WeakPolarHBondContact CZ-CD2 3.35Å; F484-H488 AromaticContact CZ-CE1 3.46Å; F484-H488 VanDerWaalsContact CZ-CE1 3.46Å; F484-H488 WeakPolarHBondContact CZ-CE1 3.24Å; F484-H488 AromaticContact CZ-CG 3.77Å; F484-H488 AromaticContact CZ-ND1 3.73Å; F484-H488 AromaticContact CZ-NE2 3.31Å; F484-H488 VanDerWaalsContact CZ-NE2 3.31Å; F484-H488 WeakPolarHBondContact CZ-NE2 3.27Å; F484-H488 PolarHBondContact O-ND1 3.15Å
485	R	51.8	Low	63.5	Low	110 Å²	110	79.6 Å²	79.6	42%	0.415	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-65.8	-23.9	178.2	-79.1	-164.9	176.5	-152.9	0.2	114.3	A482 E483 D487	A482-R485 WeakPolarHBondContact O-CB 3.35Å; A482-R485 PolarHBondContact O-N 3.19Å; E483-R485 PolarHBondContact O-N 3.07Å; R485-D487 PolarHBondContact O-N 3.11Å
486	Q	54.1	Low	63.8	Low	153 Å²	153	81.9 Å²	81.9	72%	0.715	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-68.5	-25.6	-176.2	-72.3	-177.6	-15.7	0	0	112.6	K192 E483 F484	K192-Q486 WeakPolarHBondContact CE-O 3.05Å; K192-Q486 PolarHBondContact NZ-O 3.21Å; E483-Q486 PolarHBondContact O-N 2.81Å; E483-Q486 VanDerWaalsContact O-N 3.08Å; F484-Q486 VanDerWaalsContact C-N 3.29Å; F484-Q486 PolarHBondContact O-N 3.01Å
487	D	57.5	Low	64.2	Low	96 Å²	96	84.8 Å²	84.8	51%	0.513	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-3.6	-175.4	-84.2	-11.5	0	0	0	115.9	K192 R485	K192-D487 WeakPolarHBondContact CB-O 3.43Å; K192-D487 WeakPolarHBondContact CG-O 3.49Å; K192-D487 PolarHBondContact N-O 2.86Å; R485-D487 PolarHBondContact O-N 3.11Å
488	H	59.1	Low	64.7	Low	36 Å²	36	85.6 Å²	85.6	17%	0.167	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.8	-168.1	-61.1	80	0	0	0	113	C189 L190 K191 F484	C189-H488 HydrophobicContact CB-CB 4.31Å; L190-H488 CarbonylContact O-C 3.47Å; L190-H488 WeakPolarHBondContact O-CA 3.4Å; K191-H488 VanDerWaalsContact CA-CD2 3.48Å; K191-H488 WeakPolarHBondContact CA-CD2 3.46Å; F484-H488 HydrophobicContact CD1-CB 4.14Å; F484-H488 AromaticContact CD1-CG 3.74Å; F484-H488 AromaticContact CD1-ND1 3.61Å; F484-H488 AromaticContact CD2-CE1 3.79Å; F484-H488 AromaticContact CD2-ND1 3.95Å; F484-H488 HydrophobicContact CE1-CB 3.99Å; F484-H488 AromaticContact CE1-CD2 3.5Å; F484-H488 AromaticContact CE1-CE1 3.82Å; F484-H488 AromaticContact CE1-CG 3.39Å; F484-H488 AromaticContact CE1-ND1 3.58Å; F484-H488 AromaticContact CE1-NE2 3.81Å; F484-H488 AromaticContact CE2-CE1 3.44Å; F484-H488 VanDerWaalsContact CE2-CE1 3.44Å; F484-H488 WeakPolarHBondContact CE2-CE1 3.17Å; F484-H488 AromaticContact CE2-ND1 3.91Å; F484-H488 AromaticContact CE2-NE2 3.67Å; F484-H488 AromaticContact CG-ND1 3.81Å; F484-H488 AromaticContact CZ-CD2 3.48Å; F484-H488 VanDerWaalsContact CZ-CD2 3.48Å; F484-H488 WeakPolarHBondContact CZ-CD2 3.35Å; F484-H488 AromaticContact CZ-CE1 3.46Å; F484-H488 VanDerWaalsContact CZ-CE1 3.46Å; F484-H488 WeakPolarHBondContact CZ-CE1 3.24Å; F484-H488 AromaticContact CZ-CG 3.77Å; F484-H488 AromaticContact CZ-ND1 3.73Å; F484-H488 AromaticContact CZ-NE2 3.31Å; F484-H488 VanDerWaalsContact CZ-NE2 3.31Å; F484-H488 WeakPolarHBondContact CZ-NE2 3.27Å; F484-H488 PolarHBondContact O-ND1 3.15Å
489	I	65.5	Low	65.3	Low	49 Å²	49	87.9 Å²	87.9	25%	0.251	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.7	171	-63.2	170.1	0	0	0	106.8	C189 L190 K192 F195	C189-I489 WeakPolarHBondContact CA-O 3.38Å; L190-I489 PolarHBondContact N-O 2.77Å; L190-I489 PolarHBondContact O-N 2.88Å; K192-I489 HydrophobicContact CG-CD1 4.08Å; K192-I489 HydrophobicContact CG-CG1 3.84Å; F195-I489 HydrophobicContact CB-CD1 4.11Å; F195-I489 HydrophobicContact CD1-CD1 3.52Å; F195-I489 HydrophobicContact CE1-CD1 4.15Å; F195-I489 HydrophobicContact CG-CD1 3.91Å
490	C	67.5	Low	65.9	Low	43 Å²	43	84.9 Å²	84.9	29%	0.291	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	-179.5	-60.8	0	0	0	0	110.6	F183 H187 I188 C189	F183-C490 HydrophobicContact CE1-CB 4.44Å; H187-C490 HydrophobicContact CB-CB 4.37Å; I188-C490 WeakPolarHBondContact O-CA 3.37Å; C189-C490 HydrophobicContact CB-CB 4.15Å; C189-C490 WeakPolarHBondContact CB-SG 3.43Å; C189-C490 WeakPolarHBondContact SG-CB 3.35Å; C189-C490 CovalentContact SG-SG 2.05Å; C189-C490 PolarHBondContact SG-SG 3.13Å
491	L	66.8	Low	66.4	Low	42 Å²	42	82.4 Å²	82.4	22%	0.22	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.1	175.1	-75.9	162.4	0	0	0	109.9	H187 I188 F195 K493 L495 F496	H187-L491 CarbonylContact C-O 3.55Å; H187-L491 VanDerWaalsContact CA-O 3.31Å; H187-L491 WeakPolarHBondContact CA-O 3.44Å; I188-L491 PolarHBondContact N-O 2.92Å; I188-L491 PolarHBondContact O-N 2.84Å; F195-L491 HydrophobicContact CE2-CD1 4.14Å; L491-K493 PolarHBondContact O-N 3.32Å; L491-L495 HydrophobicContact CD2-CD2 3.88Å; L491-F496 HydrophobicContact CB-CB 4.4Å; L491-F496 HydrophobicContact CD1-CD2 4.31Å
492	K	74.3	Confident	67.1	Low	111 Å²	111	81.6 Å²	81.6	48%	0.483	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	133.3	172.2	-170.8	171.2	-175.2	173.5	0	108.7	H187 L494 L495 F496	H187-K492 WeakPolarHBondContact CD2-CA 3.24Å; H187-K492 PolarHBondContact CD2-N 3.35Å; K492-L494 HydrophobicContact CG-CB 4.49Å; K492-L494 PolarHBondContact O-N 2.73Å; K492-L494 VanDerWaalsContact O-N 3.15Å; K492-L495 HydrophobicContact CB-CB 4.39Å; K492-L495 WeakPolarHBondContact O-CA 3.42Å; K492-L495 PolarHBondContact O-N 2.87Å; K492-F496 PolarHBondContact O-N 2.84Å
493	K	71.7	Confident	68	Low	91 Å²	91	83.4 Å²	83.4	40%	0.396	42%	0.421	S	S	.	.	H	α-helix	trans	-45.7	-49.3	-178.4	-83.5	170.8	179.1	175.4	0	111.8	Q185 D186 I188 L491 L495 F496 Y497	Q185-K493 WeakPolarHBondContact O-CE 3.5Å; Q185-K493 PolarHBondContact O-NZ 3.16Å; D186-K493 WeakPolarHBondContact O-CB 3.36Å; D186-K493 VanDerWaalsContact O-CG 3.29Å; D186-K493 WeakPolarHBondContact O-CG 3.41Å; D186-K493 PolarHBondContact O-N 3.47Å; I188-K493 HydrophobicContact CD1-CG 4.12Å; I188-K493 HydrophobicContact CG1-CG 3.9Å; L491-K493 PolarHBondContact O-N 3.32Å; K493-L495 VanDerWaalsContact C-N 3.33Å; K493-L495 PolarHBondContact O-N 2.81Å; K493-F496 PolarHBondContact O-N 3.43Å; K493-Y497 VanDerWaalsContact O-CD2 3.23Å; K493-Y497 WeakPolarHBondContact O-CD2 3.33Å; K493-Y497 PolarHBondContact O-N 3.37Å
494	L	71.8	Confident	68.7	Low	114 Å²	114	79.6 Å²	79.6	60%	0.597	41%	0.412	S	S	*	.	H	α-helix	trans	-53.1	-47.3	176.6	-170.6	80.3	0	0	0	112.4	K492 Y497 I498	K492-L494 HydrophobicContact CG-CB 4.49Å; K492-L494 PolarHBondContact O-N 2.73Å; K492-L494 VanDerWaalsContact O-N 3.15Å; L494-Y497 PolarHBondContact O-N 3.4Å; L494-I498 HydrophobicContact CD1-CD1 4.45Å; L494-I498 HydrophobicContact CD2-CD1 4.24Å; L494-I498 HydrophobicContact CG-CD1 3.84Å; L494-I498 WeakPolarHBondContact O-CB 3.4Å; L494-I498 VanDerWaalsContact O-CG1 3.23Å; L494-I498 WeakPolarHBondContact O-CG1 3.31Å; L494-I498 PolarHBondContact O-N 2.85Å
495	L	71.7	Confident	70.1	Confident	93 Å²	93	80.7 Å²	80.7	49%	0.487	42%	0.422	S	S	.	.	H	α-helix	trans	-72.5	-34.7	-176.5	-153	122.7	0	0	0	111.7	L491 K492 K493 T499	L491-L495 HydrophobicContact CD2-CD2 3.88Å; K492-L495 HydrophobicContact CB-CB 4.39Å; K492-L495 WeakPolarHBondContact O-CA 3.42Å; K492-L495 PolarHBondContact O-N 2.87Å; K493-L495 VanDerWaalsContact C-N 3.33Å; K493-L495 PolarHBondContact O-N 2.81Å; L495-T499 WeakPolarHBondContact O-CB 3.34Å; L495-T499 WeakPolarHBondContact O-CG2 3.39Å; L495-T499 PolarHBondContact O-N 3.25Å; L495-T499 PolarHBondContact O-OG1 3.44Å
496	F	75.4	Confident	71.3	Confident	66 Å²	66	80 Å²	80	29%	0.289	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-45.7	171.4	-177.1	-94.4	0	0	0	111.6	I188 L190 L491 K492 K493 T499 A500	I188-F496 HydrophobicContact CD1-CB 4.22Å; I188-F496 HydrophobicContact CD1-CD1 3.59Å; I188-F496 HydrophobicContact CD1-CE1 4.18Å; I188-F496 HydrophobicContact CD1-CG 3.98Å; L190-F496 HydrophobicContact CD1-CE2 4.24Å; L491-F496 HydrophobicContact CB-CB 4.4Å; L491-F496 HydrophobicContact CD1-CD2 4.31Å; K492-F496 PolarHBondContact O-N 2.84Å; K493-F496 PolarHBondContact O-N 3.43Å; F496-T499 WeakPolarHBondContact CA-OG1 3.4Å; F496-T499 PolarHBondContact O-N 2.85Å; F496-T499 PolarHBondContact O-OG1 2.89Å; F496-T499 VanDerWaalsContact O-OG1 3.07Å; F496-A500 VanDerWaalsContact O-CB 3.24Å; F496-A500 WeakPolarHBondContact O-CB 3.37Å; F496-A500 PolarHBondContact O-N 2.91Å
497	Y	71	Confident	72.5	Confident	148 Å²	148	77.3 Å²	77.3	58%	0.58	41%	0.414	S	S	*	.	H	α-helix	trans	-65.2	-43.2	176.2	-81.9	-68.6	0	0	0	112.4	K493 L494 A500 V501	K493-Y497 VanDerWaalsContact O-CD2 3.23Å; K493-Y497 WeakPolarHBondContact O-CD2 3.33Å; K493-Y497 PolarHBondContact O-N 3.37Å; L494-Y497 PolarHBondContact O-N 3.4Å; Y497-A500 PolarHBondContact O-N 3.09Å; Y497-V501 WeakPolarHBondContact O-CB 3.42Å; Y497-V501 VanDerWaalsContact O-CG2 3.25Å; Y497-V501 WeakPolarHBondContact O-CG2 3.43Å; Y497-V501 PolarHBondContact O-N 2.89Å
498	I	75.6	Confident	73.6	Confident	89 Å²	89	76.8 Å²	76.8	46%	0.456	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-49.4	175.4	-70.4	167.2	0	0	0	110.6	L494 A500 V501 C502	L494-I498 HydrophobicContact CD1-CD1 4.45Å; L494-I498 HydrophobicContact CD2-CD1 4.24Å; L494-I498 HydrophobicContact CG-CD1 3.84Å; L494-I498 WeakPolarHBondContact O-CB 3.4Å; L494-I498 VanDerWaalsContact O-CG1 3.23Å; L494-I498 WeakPolarHBondContact O-CG1 3.31Å; L494-I498 PolarHBondContact O-N 2.85Å; I498-A500 PolarHBondContact O-N 2.92Å; I498-V501 PolarHBondContact O-N 3.24Å; I498-C502 VanDerWaalsContact O-CB 3.29Å; I498-C502 WeakPolarHBondContact O-CB 3.25Å; I498-C502 PolarHBondContact O-N 3.4Å; I498-C502 PolarHBondContact O-SG 2.58Å
499	T	75.9	Confident	74.7	Confident	71 Å²	71	79.3 Å²	79.3	44%	0.436	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-39.8	179.8	49	0	0	0	0	112.4	L495 F496 S503	L495-T499 WeakPolarHBondContact O-CB 3.34Å; L495-T499 WeakPolarHBondContact O-CG2 3.39Å; L495-T499 PolarHBondContact O-N 3.25Å; L495-T499 PolarHBondContact O-OG1 3.44Å; F496-T499 WeakPolarHBondContact CA-OG1 3.4Å; F496-T499 PolarHBondContact O-N 2.85Å; F496-T499 PolarHBondContact O-OG1 2.89Å; F496-T499 VanDerWaalsContact O-OG1 3.07Å; T499-S503 VanDerWaalsContact O-CB 3.29Å; T499-S503 WeakPolarHBondContact O-CB 3.48Å; T499-S503 PolarHBondContact O-N 3.44Å; T499-S503 PolarHBondContact O-OG 3.09Å
500	A	76.1	Confident	75.3	Confident	40 Å²	40	83.2 Å²	83.2	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-50.8	173.2	0	0	0	0	0	111.8	F496 Y497 I498 S503 G504	F496-A500 VanDerWaalsContact O-CB 3.24Å; F496-A500 WeakPolarHBondContact O-CB 3.37Å; F496-A500 PolarHBondContact O-N 2.91Å; Y497-A500 PolarHBondContact O-N 3.09Å; I498-A500 PolarHBondContact O-N 2.92Å; A500-S503 PolarHBondContact O-N 2.93Å; A500-S503 PolarHBondContact O-OG 3.1Å; A500-G504 PolarHBondContact O-N 2.9Å
501	V	76.4	Confident	75.9	Confident	86 Å²	86	85.3 Å²	85.3	52%	0.521	46%	0.455	S	S	.	.	H	α-helix	trans	-63.5	-44.7	179.4	170.6	0	0	0	0	111.6	Y497 I498 S503 G504 L505	Y497-V501 WeakPolarHBondContact O-CB 3.42Å; Y497-V501 VanDerWaalsContact O-CG2 3.25Å; Y497-V501 WeakPolarHBondContact O-CG2 3.43Å; Y497-V501 PolarHBondContact O-N 2.89Å; I498-V501 PolarHBondContact O-N 3.24Å; V501-S503 PolarHBondContact O-N 3.38Å; V501-G504 PolarHBondContact O-N 3.29Å; V501-L505 HydrophobicContact CG1-CD1 3.96Å; V501-L505 HydrophobicContact CG1-CG 4.4Å; V501-L505 WeakPolarHBondContact O-CB 3.24Å; V501-L505 WeakPolarHBondContact O-CG 3.1Å; V501-L505 PolarHBondContact O-N 3.1Å
502	C	77.2	Confident	76.6	Confident	61 Å²	61	86.5 Å²	86.5	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-61.8	-43.4	175.4	-71.3	0	0	0	0	111.7	I498 G504 L505 I506	I498-C502 VanDerWaalsContact O-CB 3.29Å; I498-C502 WeakPolarHBondContact O-CB 3.25Å; I498-C502 PolarHBondContact O-N 3.4Å; I498-C502 PolarHBondContact O-SG 2.58Å; C502-G504 VanDerWaalsContact C-N 3.35Å; C502-G504 PolarHBondContact O-N 2.96Å; C502-L505 PolarHBondContact O-N 3.1Å; C502-I506 WeakPolarHBondContact O-CB 3.47Å; C502-I506 WeakPolarHBondContact O-CD1 3.29Å; C502-I506 WeakPolarHBondContact O-CG1 3.32Å; C502-I506 PolarHBondContact O-N 2.87Å
503	S	76.9	Confident	76.9	Confident	59 Å²	59	83.8 Å²	83.8	41%	0.413	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-39.9	176.4	73.7	0	0	0	0	112.2	T499 A500 V501 I506 I507	T499-S503 VanDerWaalsContact O-CB 3.29Å; T499-S503 WeakPolarHBondContact O-CB 3.48Å; T499-S503 PolarHBondContact O-N 3.44Å; T499-S503 PolarHBondContact O-OG 3.09Å; A500-S503 PolarHBondContact O-N 2.93Å; A500-S503 PolarHBondContact O-OG 3.1Å; V501-S503 PolarHBondContact O-N 3.38Å; S503-I506 PolarHBondContact O-N 3.18Å; S503-I507 WeakPolarHBondContact O-CD1 3.43Å; S503-I507 VanDerWaalsContact O-CG1 3.26Å; S503-I507 WeakPolarHBondContact O-CG1 3.39Å; S503-I507 PolarHBondContact O-N 3.06Å
504	G	75.9	Confident	77.4	Confident	32 Å²	32	81.8 Å²	81.8	33%	0.33	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-46.8	174	0	0	0	0	0	112.7	A500 V501 C502 I506 I507 V508	A500-G504 PolarHBondContact O-N 2.9Å; V501-G504 PolarHBondContact O-N 3.29Å; C502-G504 VanDerWaalsContact C-N 3.35Å; C502-G504 PolarHBondContact O-N 2.96Å; G504-I506 PolarHBondContact O-N 2.84Å; G504-I507 PolarHBondContact O-N 3.19Å; G504-V508 WeakPolarHBondContact O-CG2 3.43Å; G504-V508 PolarHBondContact O-N 2.97Å
505	L	79	Confident	77.8	Confident	105 Å²	105	81.2 Å²	81.2	55%	0.55	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.2	-76.3	172.2	0	0	0	112	V501 C502 I507 V508 V509	V501-L505 HydrophobicContact CG1-CD1 3.96Å; V501-L505 HydrophobicContact CG1-CG 4.4Å; V501-L505 WeakPolarHBondContact O-CB 3.24Å; V501-L505 WeakPolarHBondContact O-CG 3.1Å; V501-L505 PolarHBondContact O-N 3.1Å; C502-L505 PolarHBondContact O-N 3.1Å; L505-I507 PolarHBondContact O-N 3.25Å; L505-V508 PolarHBondContact O-N 3.08Å; L505-V509 WeakPolarHBondContact O-CB 3.43Å; L505-V509 VanDerWaalsContact O-CG2 3.31Å; L505-V509 WeakPolarHBondContact O-CG2 3.11Å; L505-V509 PolarHBondContact O-N 3.07Å
506	I	78.3	Confident	78.3	Confident	94 Å²	94	81.3 Å²	81.3	48%	0.482	45%	0.452	S	S	.	.	H	α-helix	trans	-57.1	-50.1	173.7	-75	166.7	0	0	0	110	C502 S503 G504 V508 V509 F510	C502-I506 WeakPolarHBondContact O-CB 3.47Å; C502-I506 WeakPolarHBondContact O-CD1 3.29Å; C502-I506 WeakPolarHBondContact O-CG1 3.32Å; C502-I506 PolarHBondContact O-N 2.87Å; S503-I506 PolarHBondContact O-N 3.18Å; G504-I506 PolarHBondContact O-N 2.84Å; I506-V508 PolarHBondContact O-N 3.32Å; I506-V509 PolarHBondContact O-N 2.85Å; I506-F510 HydrophobicContact CG2-CD2 3.69Å; I506-F510 HydrophobicContact CG2-CE2 3.8Å; I506-F510 VanDerWaalsContact O-CD2 3.23Å; I506-F510 WeakPolarHBondContact O-CD2 3.3Å; I506-F510 PolarHBondContact O-N 3.08Å
507	I	79.2	Confident	78.4	Confident	97 Å²	97	82.5 Å²	82.5	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-59.3	-44.7	177.6	-69.8	163.9	0	0	0	111.2	S503 G504 L505 F510 I511	S503-I507 WeakPolarHBondContact O-CD1 3.43Å; S503-I507 VanDerWaalsContact O-CG1 3.26Å; S503-I507 WeakPolarHBondContact O-CG1 3.39Å; S503-I507 PolarHBondContact O-N 3.06Å; G504-I507 PolarHBondContact O-N 3.19Å; L505-I507 PolarHBondContact O-N 3.25Å; I507-F510 PolarHBondContact O-N 3.26Å; I507-I511 HydrophobicContact CG2-CD1 3.58Å; I507-I511 HydrophobicContact CG2-CG1 4.29Å; I507-I511 WeakPolarHBondContact O-CB 3.32Å; I507-I511 VanDerWaalsContact O-CG1 3.26Å; I507-I511 WeakPolarHBondContact O-CG1 3.36Å; I507-I511 PolarHBondContact O-N 3.09Å
508	V	81.1	Confident	78.8	Confident	85 Å²	85	78.1 Å²	78.1	52%	0.515	46%	0.455	S	S	.	.	H	α-helix	trans	-64.2	-43	178.3	171.4	0	0	0	0	112	G504 L505 I506 I511 T512	G504-V508 WeakPolarHBondContact O-CG2 3.43Å; G504-V508 PolarHBondContact O-N 2.97Å; L505-V508 PolarHBondContact O-N 3.08Å; I506-V508 PolarHBondContact O-N 3.32Å; V508-I511 PolarHBondContact O-N 3.27Å; V508-T512 HydrophobicContact CG1-CG2 4.45Å; V508-T512 WeakPolarHBondContact O-CB 3.44Å; V508-T512 WeakPolarHBondContact O-CG2 3.42Å; V508-T512 PolarHBondContact O-N 2.86Å; V508-T512 PolarHBondContact O-OG1 3.2Å
509	V	81.8	Confident	79	Confident	89 Å²	89	78.1 Å²	78.1	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-39.6	176.9	171.3	0	0	0	0	111.2	L505 I506 T512 S513	L505-V509 WeakPolarHBondContact O-CB 3.43Å; L505-V509 VanDerWaalsContact O-CG2 3.31Å; L505-V509 WeakPolarHBondContact O-CG2 3.11Å; L505-V509 PolarHBondContact O-N 3.07Å; I506-V509 PolarHBondContact O-N 2.85Å; V509-T512 WeakPolarHBondContact CA-OG1 3.31Å; V509-T512 PolarHBondContact O-OG1 3.28Å; V509-T512 VanDerWaalsContact O-OG1 3.07Å; V509-S513 WeakPolarHBondContact O-CB 3.44Å; V509-S513 PolarHBondContact O-N 2.93Å
510	F	77.1	Confident	79.1	Confident	131 Å²	131	82.8 Å²	82.8	58%	0.575	47%	0.469	S	S	*	.	H	α-helix	trans	-71.8	-38.1	175.6	-81.7	-67.1	0	0	0	113	I506 I507 T514	I506-F510 HydrophobicContact CG2-CD2 3.69Å; I506-F510 HydrophobicContact CG2-CE2 3.8Å; I506-F510 VanDerWaalsContact O-CD2 3.23Å; I506-F510 WeakPolarHBondContact O-CD2 3.3Å; I506-F510 PolarHBondContact O-N 3.08Å; I507-F510 PolarHBondContact O-N 3.26Å; F510-T514 WeakPolarHBondContact O-CB 3.25Å; F510-T514 WeakPolarHBondContact O-CG2 2.93Å; F510-T514 PolarHBondContact O-N 3.33Å; F510-T514 PolarHBondContact O-OG1 2.91Å
511	I	81.7	Confident	79.1	Confident	88 Å²	88	85.5 Å²	85.5	45%	0.451	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-46.2	174	-71.7	170.7	0	0	0	110.7	I507 V508 T514 L515	I507-I511 HydrophobicContact CG2-CD1 3.58Å; I507-I511 HydrophobicContact CG2-CG1 4.29Å; I507-I511 WeakPolarHBondContact O-CB 3.32Å; I507-I511 VanDerWaalsContact O-CG1 3.26Å; I507-I511 WeakPolarHBondContact O-CG1 3.36Å; I507-I511 PolarHBondContact O-N 3.09Å; V508-I511 PolarHBondContact O-N 3.27Å; I511-T514 WeakPolarHBondContact CA-OG1 3.41Å; I511-T514 PolarHBondContact O-N 3.04Å; I511-T514 PolarHBondContact O-OG1 2.83Å; I511-L515 HydrophobicContact CG2-CD1 3.87Å; I511-L515 HydrophobicContact CG2-CG 4.42Å; I511-L515 WeakPolarHBondContact O-CB 3.44Å; I511-L515 VanDerWaalsContact O-CG 3.3Å; I511-L515 WeakPolarHBondContact O-CG 3.38Å; I511-L515 PolarHBondContact O-N 2.88Å
512	T	81.3	Confident	79.2	Confident	66 Å²	66	88.1 Å²	88.1	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-65.5	-42.3	178	50.2	0	0	0	0	111.6	V508 V509 L515 I516	V508-T512 HydrophobicContact CG1-CG2 4.45Å; V508-T512 WeakPolarHBondContact O-CB 3.44Å; V508-T512 WeakPolarHBondContact O-CG2 3.42Å; V508-T512 PolarHBondContact O-N 2.86Å; V508-T512 PolarHBondContact O-OG1 3.2Å; V509-T512 WeakPolarHBondContact CA-OG1 3.31Å; V509-T512 PolarHBondContact O-OG1 3.28Å; V509-T512 VanDerWaalsContact O-OG1 3.07Å; T512-L515 PolarHBondContact O-N 3.07Å; T512-I516 WeakPolarHBondContact O-CB 3.36Å; T512-I516 WeakPolarHBondContact O-CD1 3.46Å; T512-I516 WeakPolarHBondContact O-CG1 3.45Å; T512-I516 PolarHBondContact O-N 2.05Å
513	S	80.7	Confident	79.1	Confident	55 Å²	55	88.4 Å²	88.4	39%	0.385	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174	-177.4	0	0	0	0	112.7	V509 I516 L517	V509-S513 WeakPolarHBondContact O-CB 3.44Å; V509-S513 PolarHBondContact O-N 2.93Å; S513-I516 PolarHBondContact O-N 3.35Å; S513-L517 WeakPolarHBondContact O-CB 3.09Å; S513-L517 PolarHBondContact O-N 3.23Å
514	T	80.8	Confident	79	Confident	48 Å²	48	89.2 Å²	89.2	29%	0.294	48%	0.477	S	S	.	.	H	α-helix	trans	-68.6	-36.4	177.4	49.6	0	0	0	0	112.9	T213 F510 I511 L517 A518	T213-T514 HydrophobicContact CG2-CG2 3.49Å; T213-T514 VanDerWaalsContact CG2-CG2 3.49Å; F510-T514 WeakPolarHBondContact O-CB 3.25Å; F510-T514 WeakPolarHBondContact O-CG2 2.93Å; F510-T514 PolarHBondContact O-N 3.33Å; F510-T514 PolarHBondContact O-OG1 2.91Å; I511-T514 WeakPolarHBondContact CA-OG1 3.41Å; I511-T514 PolarHBondContact O-N 3.04Å; I511-T514 PolarHBondContact O-OG1 2.83Å; T514-L517 PolarHBondContact O-N 3.34Å; T514-A518 VanDerWaalsContact O-CB 3.32Å; T514-A518 WeakPolarHBondContact O-CB 3.25Å; T514-A518 PolarHBondContact O-N 2.86Å
515	L	81.2	Confident	79	Confident	103 Å²	103	90.3 Å²	90.3	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-44.9	170.4	-76.5	169.6	0	0	0	111.7	I511 T512 L517 A518 V519	I511-L515 HydrophobicContact CG2-CD1 3.87Å; I511-L515 HydrophobicContact CG2-CG 4.42Å; I511-L515 WeakPolarHBondContact O-CB 3.44Å; I511-L515 VanDerWaalsContact O-CG 3.3Å; I511-L515 WeakPolarHBondContact O-CG 3.38Å; I511-L515 PolarHBondContact O-N 2.88Å; T512-L515 PolarHBondContact O-N 3.07Å; L515-L517 VanDerWaalsContact C-N 3.33Å; L515-L517 PolarHBondContact O-N 3.39Å; L515-A518 PolarHBondContact O-N 3.38Å; L515-V519 WeakPolarHBondContact O-CB 3.48Å; L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.46Å; L515-V519 PolarHBondContact O-N 2.92Å
516	I	81.9	Confident	78.8	Confident	95 Å²	95	89.4 Å²	89.4	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.1	-69.7	161.6	0	0	0	110.7	T512 S513 R520	T512-I516 WeakPolarHBondContact O-CB 3.36Å; T512-I516 WeakPolarHBondContact O-CD1 3.46Å; T512-I516 WeakPolarHBondContact O-CG1 3.45Å; T512-I516 PolarHBondContact O-N 2.05Å; S513-I516 PolarHBondContact O-N 3.35Å; I516-R520 WeakPolarHBondContact O-CB 3.48Å; I516-R520 WeakPolarHBondContact O-CG 3.14Å; I516-R520 PolarHBondContact O-N 3.19Å
517	L	78.2	Confident	78.5	Confident	90 Å²	90	92 Å²	92	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174	-93.1	155.2	0	0	0	112.4	S513 T514 L515 R520 Y521	S513-L517 WeakPolarHBondContact O-CB 3.09Å; S513-L517 PolarHBondContact O-N 3.23Å; T514-L517 PolarHBondContact O-N 3.34Å; L515-L517 VanDerWaalsContact C-N 3.33Å; L515-L517 PolarHBondContact O-N 3.39Å; L517-R520 PolarHBondContact O-N 2.9Å; L517-Y521 VanDerWaalsContact O-CB 3.27Å; L517-Y521 WeakPolarHBondContact O-CB 3.36Å; L517-Y521 PolarHBondContact O-N 3.23Å
518	A	78.7	Confident	78	Confident	57 Å²	57	91 Å²	91	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-65.9	-40	178.1	0	0	0	0	0	112.3	T514 L515 Y521 K522	T514-A518 VanDerWaalsContact O-CB 3.32Å; T514-A518 WeakPolarHBondContact O-CB 3.25Å; T514-A518 PolarHBondContact O-N 2.86Å; L515-A518 PolarHBondContact O-N 3.38Å; A518-Y521 PolarHBondContact O-N 2.81Å; A518-K522 WeakPolarHBondContact O-CB 3.1Å; A518-K522 PolarHBondContact O-N 2.65Å
519	V	79.6	Confident	77.3	Confident	88 Å²	88	93.4 Å²	93.4	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-46.9	173.6	170.5	0	0	0	0	110.5	L515 Y521 K522 C523	L515-V519 WeakPolarHBondContact O-CB 3.48Å; L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.46Å; L515-V519 PolarHBondContact O-N 2.92Å; V519-Y521 VanDerWaalsContact C-N 3.32Å; V519-Y521 PolarHBondContact O-N 2.85Å; V519-K522 PolarHBondContact O-N 3.1Å; V519-C523 WeakPolarHBondContact O-CB 3.28Å; V519-C523 PolarHBondContact O-N 3.37Å; V519-C523 PolarHBondContact O-SG 2.91Å; V519-C523 VanDerWaalsContact O-SG 3.33Å
520	R	78.5	Confident	76.2	Confident	169 Å²	169	98.6 Å²	98.6	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-59.7	-42.2	175	-76.9	-179.2	175.5	-167.7	-0.6	111.8	I516 L517 C523 L524	I516-R520 WeakPolarHBondContact O-CB 3.48Å; I516-R520 WeakPolarHBondContact O-CG 3.14Å; I516-R520 PolarHBondContact O-N 3.19Å; L517-R520 PolarHBondContact O-N 2.9Å; R520-C523 PolarHBondContact O-N 3.48Å; R520-L524 WeakPolarHBondContact O-CB 3.39Å; R520-L524 WeakPolarHBondContact O-CG 3.2Å; R520-L524 PolarHBondContact O-N 2.84Å
521	Y	76.6	Confident	75.2	Confident	97 Å²	97	99.9 Å²	99.9	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-50.9	174.3	-178.6	-98	0	0	0	111.8	Y220 L223 L517 A518 V519 C523 L524 V525	Y220-Y521 HydrophobicContact CD2-CD2 4.32Å; L223-Y521 HydrophobicContact CD1-CE2 3.62Å; L517-Y521 VanDerWaalsContact O-CB 3.27Å; L517-Y521 WeakPolarHBondContact O-CB 3.36Å; L517-Y521 PolarHBondContact O-N 3.23Å; A518-Y521 PolarHBondContact O-N 2.81Å; V519-Y521 VanDerWaalsContact C-N 3.32Å; V519-Y521 PolarHBondContact O-N 2.85Å; Y521-C523 VanDerWaalsContact C-N 3.34Å; Y521-C523 PolarHBondContact O-N 3.05Å; Y521-L524 PolarHBondContact O-N 2.9Å; Y521-V525 HydrophobicContact CD1-CG2 4.3Å; Y521-V525 HydrophobicContact CE1-CG2 3.93Å; Y521-V525 HydrophobicContact CE2-CG2 4.4Å; Y521-V525 WeakPolarHBondContact O-CG2 3.4Å; Y521-V525 PolarHBondContact O-N 2.86Å
522	K	77.2	Confident	74	Confident	142 Å²	142	101.7 Å²	101.7	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-60.3	-42.4	177.4	-170.9	178.5	-179.7	-178.4	0	111.6	A518 V519 V525 L526	A518-K522 WeakPolarHBondContact O-CB 3.1Å; A518-K522 PolarHBondContact O-N 2.65Å; V519-K522 PolarHBondContact O-N 3.1Å; K522-V525 PolarHBondContact O-N 3.35Å; K522-L526 HydrophobicContact CG-CD1 4.19Å; K522-L526 WeakPolarHBondContact O-CB 3.43Å; K522-L526 VanDerWaalsContact O-CG 3.28Å; K522-L526 WeakPolarHBondContact O-CG 3.33Å; K522-L526 PolarHBondContact O-N 3.39Å
523	C	75.1	Confident	72.6	Confident	66 Å²	66	104.7 Å²	104.7	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-37.9	175.7	-74.3	0	0	0	0	112.8	V519 R520 Y521 L526 K527	V519-C523 WeakPolarHBondContact O-CB 3.28Å; V519-C523 PolarHBondContact O-N 3.37Å; V519-C523 PolarHBondContact O-SG 2.91Å; V519-C523 VanDerWaalsContact O-SG 3.33Å; R520-C523 PolarHBondContact O-N 3.48Å; Y521-C523 VanDerWaalsContact C-N 3.34Å; Y521-C523 PolarHBondContact O-N 3.05Å; C523-L526 PolarHBondContact O-N 2.78Å; C523-K527 WeakPolarHBondContact O-CB 3.47Å; C523-K527 WeakPolarHBondContact O-CG 3.3Å; C523-K527 PolarHBondContact O-N 2.91Å
524	L	75.8	Confident	71	Confident	77 Å²	77	103.7 Å²	103.7	40%	0.403	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-42.4	174.1	-76.2	165	0	0	0	111.8	Y220 R520 Y521 L526 K527 M528	Y220-L524 HydrophobicContact CE2-CD1 3.66Å; R520-L524 WeakPolarHBondContact O-CB 3.39Å; R520-L524 WeakPolarHBondContact O-CG 3.2Å; R520-L524 PolarHBondContact O-N 2.84Å; Y521-L524 PolarHBondContact O-N 2.9Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.28Å; L524-K527 PolarHBondContact O-N 2.98Å; L524-M528 WeakPolarHBondContact O-CB 3.42Å; L524-M528 WeakPolarHBondContact O-CG 3.18Å; L524-M528 PolarHBondContact O-N 3.43Å
525	V	75.9	Confident	69.4	Low	55 Å²	55	105.8 Å²	105.8	33%	0.333	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-37.1	174.1	172.9	0	0	0	0	111.6	Y521 K522 M528 K529	Y521-V525 HydrophobicContact CD1-CG2 4.3Å; Y521-V525 HydrophobicContact CE1-CG2 3.93Å; Y521-V525 HydrophobicContact CE2-CG2 4.4Å; Y521-V525 WeakPolarHBondContact O-CG2 3.4Å; Y521-V525 PolarHBondContact O-N 2.86Å; K522-V525 PolarHBondContact O-N 3.35Å; V525-M528 WeakPolarHBondContact O-CB 3.18Å; V525-M528 PolarHBondContact O-N 2.9Å; V525-K529 PolarHBondContact O-N 3.47Å
526	L	73.5	Confident	67.5	Low	85 Å²	85	106.5 Å²	106.5	45%	0.445	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-41	173.4	-74	169	0	0	0	112.3	K522 C523 L524 M528 K529 R530	K522-L526 HydrophobicContact CG-CD1 4.19Å; K522-L526 WeakPolarHBondContact O-CB 3.43Å; K522-L526 VanDerWaalsContact O-CG 3.28Å; K522-L526 WeakPolarHBondContact O-CG 3.33Å; K522-L526 PolarHBondContact O-N 3.39Å; C523-L526 PolarHBondContact O-N 2.78Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.28Å; L526-M528 VanDerWaalsContact C-N 3.29Å; L526-M528 PolarHBondContact O-N 2.94Å; L526-K529 PolarHBondContact O-N 2.87Å; L526-R530 WeakPolarHBondContact O-CG 3.32Å; L526-R530 PolarHBondContact O-N 2.64Å
527	K	73.6	Confident	65.5	Low	148 Å²	148	104.3 Å²	104.3	64%	0.643	53%	0.528	S	S	*	.	H	α-helix	trans	-61.6	-37.3	171.4	-79.2	-173.3	175.5	-172.6	0	111.7	C523 L524 K531	C523-K527 WeakPolarHBondContact O-CB 3.47Å; C523-K527 WeakPolarHBondContact O-CG 3.3Å; C523-K527 PolarHBondContact O-N 2.91Å; L524-K527 PolarHBondContact O-N 2.98Å; K527-K531 PolarHBondContact O-N 3.19Å
528	M	66.9	Low	63.7	Low	77 Å²	77	106 Å²	106	38%	0.379	54%	0.536	S	S	.	.	H	α-helix	trans	-62.5	-52	173.4	-69.3	-111	-88.2	0	0	111.5	M227 L524 V525 L526 R530 K531 Q532	M227-M528 HydrophobicContact CE-CG 4.43Å; M227-M528 HydrophobicContact CE-SD 3.53Å; M227-M528 VanDerWaalsContact CE-SD 3.53Å; M227-M528 HydrophobicContact CG-SD 4.28Å; M227-M528 HydrophobicContact SD-CE 4.08Å; M227-M528 HydrophobicContact SD-SD 3.27Å; L524-M528 WeakPolarHBondContact O-CB 3.42Å; L524-M528 WeakPolarHBondContact O-CG 3.18Å; L524-M528 PolarHBondContact O-N 3.43Å; V525-M528 WeakPolarHBondContact O-CB 3.18Å; V525-M528 PolarHBondContact O-N 2.9Å; L526-M528 VanDerWaalsContact C-N 3.29Å; L526-M528 PolarHBondContact O-N 2.94Å; M528-R530 VanDerWaalsContact C-N 3.32Å; M528-R530 PolarHBondContact O-N 2.97Å; M528-K531 PolarHBondContact O-N 3.01Å; M528-K531 VanDerWaalsContact O-N 3.16Å; M528-Q532 WeakPolarHBondContact O-CB 3.47Å; M528-Q532 PolarHBondContact O-N 3.2Å
529	K	67.1	Low	61.8	Low	135 Å²	135	110 Å²	110	59%	0.587	55%	0.55	S	S	*	.	H	α-helix	trans	-57.2	-42.8	176.5	-76.6	-164.7	172	-164.4	0	112.3	V525 L526 Q532 I533	V525-K529 PolarHBondContact O-N 3.47Å; L526-K529 PolarHBondContact O-N 2.87Å; K529-Q532 PolarHBondContact O-N 3.04Å; K529-I533 WeakPolarHBondContact O-CB 3.43Å; K529-I533 WeakPolarHBondContact O-CD1 3.24Å; K529-I533 VanDerWaalsContact O-CG1 3.26Å; K529-I533 WeakPolarHBondContact O-CG1 3.19Å; K529-I533 PolarHBondContact O-N 3.02Å
530	R	59.2	Low	59.7	Low	198 Å²	198	111.6 Å²	111.6	75%	0.747	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-41.4	175.7	-72.5	-173.8	-171.6	175.6	2.3	113	L526 M528 G534	L526-R530 WeakPolarHBondContact O-CG 3.32Å; L526-R530 PolarHBondContact O-N 2.64Å; M528-R530 VanDerWaalsContact C-N 3.32Å; M528-R530 PolarHBondContact O-N 2.97Å; R530-G534 PolarHBondContact O-N 3.23Å
531	K	57	Low	57.6	Low	158 Å²	158	115.4 Å²	115.4	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-65.3	-41.9	175.4	-79.3	-162.3	170.8	-158.1	0	111.7	K527 M528 G534 T535	K527-K531 PolarHBondContact O-N 3.19Å; M528-K531 PolarHBondContact O-N 3.01Å; M528-K531 VanDerWaalsContact O-N 3.16Å; K531-G534 CarbonylContact O-C 3.6Å; K531-G534 PolarHBondContact O-N 3.11Å; K531-T535 PolarHBondContact O-N 3.3Å; K531-T535 PolarHBondContact O-OG1 3.42Å
532	Q	54.8	Low	55.5	Low	126 Å²	126	115 Å²	115	59%	0.589	59%	0.59	S	S	*	*	H	α-helix	trans	-64.5	-50.1	-179.7	-154.5	164.8	-0.9	0	0	111	M528 K529 G534 T535 D536	M528-Q532 WeakPolarHBondContact O-CB 3.47Å; M528-Q532 PolarHBondContact O-N 3.2Å; K529-Q532 PolarHBondContact O-N 3.04Å; Q532-G534 PolarHBondContact O-N 3.45Å; Q532-T535 PolarHBondContact O-N 3.37Å; Q532-D536 PolarHBondContact O-N 3.37Å
533	I	53.5	Low	53.4	Low	129 Å²	129	117.9 Å²	117.9	66%	0.662	61%	0.606	S	S	*	*	H	α-helix	trans	-58.7	-35.5	172.9	-65.5	164.8	0	0	0	112	K529 G537	K529-I533 WeakPolarHBondContact O-CB 3.43Å; K529-I533 WeakPolarHBondContact O-CD1 3.24Å; K529-I533 VanDerWaalsContact O-CG1 3.26Å; K529-I533 WeakPolarHBondContact O-CG1 3.19Å; K529-I533 PolarHBondContact O-N 3.02Å; I533-G537 PolarHBondContact O-N 3.21Å
534	G	47	Very low	51.1	Low	34 Å²	34	118.7 Å²	118.7	35%	0.351	63%	0.626	S	S	.	*	H	α-helix	trans	-78.2	-12.8	176	0	0	0	0	0	115.5	R530 K531 Q532 I538	R530-G534 PolarHBondContact O-N 3.23Å; K531-G534 CarbonylContact O-C 3.6Å; K531-G534 PolarHBondContact O-N 3.11Å; Q532-G534 PolarHBondContact O-N 3.45Å; G534-I538 WeakPolarHBondContact O-CD1 3.03Å; G534-I538 WeakPolarHBondContact O-CG1 3.34Å
535	T	46	Very low	49.3	Very low	92 Å²	92	119.9 Å²	119.9	56%	0.564	64%	0.64	S	S	*	*	H	α-helix	trans	-98	-34.7	176.3	-39.8	0	0	0	0	110.6	K531 Q532 G537	K531-T535 PolarHBondContact O-N 3.3Å; K531-T535 PolarHBondContact O-OG1 3.42Å; Q532-T535 PolarHBondContact O-N 3.37Å; T535-G537 VanDerWaalsContact C-N 3.28Å; T535-G537 PolarHBondContact O-N 3.27Å
536	D	42.4	Very low	47.3	Very low	119 Å²	119	125.5 Å²	125.5	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-77.9	-12.9	176.3	-57.8	-29.2	0	0	0	112.5	Q532	Q532-D536 PolarHBondContact O-N 3.37Å
537	G	39.9	Very low	45.5	Very low	48 Å²	48	129 Å²	129	50%	0.495	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	-4.8	-176.8	0	0	0	0	0	117.1	I533 T535	I533-G537 PolarHBondContact O-N 3.21Å; T535-G537 VanDerWaalsContact C-N 3.28Å; T535-G537 PolarHBondContact O-N 3.27Å
538	I	39.2	Very low	43.5	Very low	126 Å²	126	126.3 Å²	126.3	65%	0.646	68%	0.68	S	S	*	*	S	Bend	trans	-100.8	-14.3	-173	-69.3	-179.3	0	0	0	113.1	G534	G534-I538 WeakPolarHBondContact O-CD1 3.03Å; G534-I538 WeakPolarHBondContact O-CG1 3.34Å
539	N	38.2	Very low	41.8	Very low	142 Å²	142	127.1 Å²	127.1	76%	0.759	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	18.8	-175.7	-66.3	-0.9	0	0	0	114.6
540	V	37.4	Very low	40.3	Very low	120 Å²	120	129.3 Å²	129.3	73%	0.727	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	10.4	-176.8	-168.1	0	0	0	0	112.5
541	W	32.8	Very low	39.2	Very low	250 Å²	250	125.7 Å²	125.7	95%	0.947	71%	0.71	S	S	*	*	S	Bend	trans	-117.6	24.3	-177.1	-99	65.1	0	0	0	114.2
542	A	33.3	Very low	38.5	Very low	88 Å²	88	123.5 Å²	123.5	73%	0.727	71%	0.711	S	S	*	*	S	Bend	trans	-129.8	53.9	-175.9	0	0	0	0	0	113.2
543	Q	33.3	Very low	37.5	Very low	202 Å²	202	126 Å²	126	94%	0.944	73%	0.728	S	S	*	*			trans	-171.6	112.7	157	-108.4	161.8	9.7	0	0	109.1
544	G	27.2	Very low	36.7	Very low	84 Å²	84	123 Å²	123	87%	0.866	73%	0.729	S	S	*	*			trans	-174.8	32.8	-170	0	0	0	0	0	115.4
545	S	36.7	Very low	36.3	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	75%	0.752	S	S	*	*			trans	-139.9	106.5	170.6	59.1	0	0	0	0	110.9
546	E	33.7	Very low	35.8	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	76%	0.762	S	S	*	*			trans	81	132.3	144.4	-58.9	178.6	178.8	0	0	120.2
547	I	37	Very low	35.6	Very low	158 Å²	158	134 Å²	134	81%	0.81	78%	0.775	S	S	*	*			trans	72	129.4	152.9	-61.2	153.6	0	0	0	116.2
548	S	30.6	Very low	35.2	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	78%	0.782	S	S	*	*			cis	-167.5	140.8	-11.5	171.8	0	0	0	0	111.4
549	S	32.1	Very low	34.8	Very low	93 Å²	93	140.5 Å²	140.5	65%	0.65	80%	0.796	S	S	*	*			trans	68	147.1	144.5	65.8	0	0	0	0	122.8
550	Q	36.4	Very low	34.5	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	80%	0.796	S	S	*	*			trans	76	135.4	164.6	-56.2	177.7	1.5	0	0	117.7
551	C	35.2	Very low	34.2	Very low	123 Å²	123	141 Å²	141	83%	0.831	79%	0.794	S	S	*	*			cis	-161.9	166.1	-33.4	-116.1	0	0	0	0	107.6
552	P	42.2	Very low	34.1	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	78%	0.782	S	S	*	*			trans	-110.7	-163	-146.1	42.9	-37.6	0	0	0	114.7
553	L	33.6	Very low	34	Very low	179 Å²	179	139.3 Å²	139.3	94%	0.937	79%	0.789	S	S	*	*			trans	128.2	135.4	148.7	-125.8	71.5	0	0	0	114.7
554	G	36.5	Very low	34.1	Very low	66 Å²	66	133.8 Å²	133.8	68%	0.68	78%	0.778	S	S	*	*			trans	113.9	58.8	-175.3	0	0	0	0	0	113.2
555	E	39.4	Very low	34.4	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	78%	0.777	S	S	*	*				70.9	75.8	87.4	-162.5	168.9	-136.9	0	0	111.5
556	T	34.2	Very low	34.4	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	78%	0.777	S	S	*	*				45.1	105.6	98.5	62.2	0	0	0	0	115.4
557	D	38.7	Very low	34.6	Very low	169 Å²	169	133.4 Å²	133.4	90%	0.904	77%	0.774	S	S	*	*				-168.1	161.6	98.1	-143	-16.5	0	0	0	113
558	G	32.8	Very low	34.6	Very low	62 Å²	62	134.6 Å²	134.6	64%	0.639	77%	0.773	S	S	*	*			trans	88.1	78.2	142.6	0	0	0	0	0	121.7
559	R	29.7	Very low	34.9	Very low	250 Å²	250	139.7 Å²	139.7	94%	0.943	78%	0.778	S	S	*	*				91.7	129.4	127.6	-144	173.5	-164.2	165.2	3.9	121
560	L	31.6	Very low	35	Very low	147 Å²	147	144.6 Å²	144.6	77%	0.77	78%	0.783	S	S	*	*			trans	-58.2	157.1	179.4	-73.3	121.3	0	0	0	118.1
561	D	31.3	Very low	35	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	77%	0.772	S	S	*	*			trans	83.6	111.4	139.7	-75.2	-17	0	0	0	123
562	I	31.2	Very low	34.9	Very low	138 Å²	138	143 Å²	143	71%	0.708	77%	0.77	S	S	*	*			trans	64.2	93.1	131	-52.7	161.8	0	0	0	116.8
563	L	30.9	Very low	34.7	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	78%	0.778	S	S	*	*				174.3	148.4	119.3	-95.8	159.1	0	0	0	115.3
564	A	34.5	Very low	34.7	Very low	86 Å²	86	138.4 Å²	138.4	71%	0.711	77%	0.767	S	S	*	*			trans	63	118.8	143.7	0	0	0	0	0	122.3
565	D	35.3	Very low	34.6	Very low	161 Å²	161	144.8 Å²	144.8	86%	0.861	78%	0.777	S	S	*	*			trans	-157.3	149.3	138.6	-115	-11.4	0	0	0	107
566	S	36.6	Very low	34.6	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	77%	0.773	S	S	*	*			cis	-159.3	163.8	-7.2	48.4	0	0	0	0	110.8
567	A	36.7	Very low	34.6	Very low	89 Å²	89	148.1 Å²	148.1	74%	0.736	78%	0.781	S	S	*	*			trans	116.8	118	158.7	0	0	0	0	0	116
568	F	37	Very low	34.4	Very low	183 Å²	183	143.6 Å²	143.6	80%	0.803	78%	0.775	S	S	*	*			cis	-157.4	141.2	-6.6	-129.7	-95.4	0	0	0	108.8
569	R	37.7	Very low	34.6	Very low	199 Å²	199	146.6 Å²	146.6	75%	0.751	79%	0.786	S	S	*	*			trans	10.5	138.6	154.7	-74.6	178	157.7	169.2	-4.3	118.6
570	R	34.5	Very low	34.6	Very low	196 Å²	196	145.4 Å²	145.4	74%	0.74	78%	0.783	S	S	*	*			cis	-177	171	34.9	-124.3	179.8	152.9	146.7	-3.2	108.3
571	D	36	Very low	34.5	Very low	116 Å²	116	147.7 Å²	147.7	62%	0.62	79%	0.787	S	S	*	*			cis	-144.2	-129.5	-7	-147	-18.1	0	0	0	110
572	L	33.6	Very low	34.7	Very low	153 Å²	153	151.2 Å²	151.2	80%	0.801	80%	0.799	S	S	*	*			trans	-118.7	150	-168.9	-102.2	68.1	0	0	0	118
573	S	36.3	Very low	34.7	Very low	125 Å²	125	148.9 Å²	148.9	87%	0.874	80%	0.801	S	S	*	*			trans	100.6	142.4	138.6	77.4	0	0	0	0	120.2
574	G	34.8	Very low	34.8	Very low	70 Å²	70	148.5 Å²	148.5	72%	0.722	80%	0.799	S	S	*	*			trans	131.5	30.7	156.2	0	0	0	0	0	121.9
575	F	34.5	Very low	34.9	Very low	200 Å²	200	149.8 Å²	149.8	88%	0.877	80%	0.798	S	S	*	*			trans	55.1	146.3	153.6	-85.1	-96.9	0	0	0	123.7
576	T	39	Very low	34.8	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	80%	0.796	S	S	*	*			trans	68.2	84.3	152.9	41.1	0	0	0	0	121.8
577	R	33.9	Very low	34.9	Very low	252 Å²	252	150.8 Å²	150.8	95%	0.951	81%	0.805	S	S	*	*				43.4	97.4	107.2	-165.5	-174.1	-161.1	-179.3	6	117.7
578	G	34.2	Very low	34.7	Very low	75 Å²	75	149.5 Å²	149.5	77%	0.773	80%	0.8	S	S	*	*			trans	-177.1	103.4	163.6	0	0	0	0	0	115.1
579	S	37.1	Very low	34.5	Very low	125 Å²	125	150.9 Å²	150.9	87%	0.874	80%	0.801	S	S	*	*			trans	39.1	117.9	161.9	-153.5	0	0	0	0	120.7
580	Y	29.1	Very low	34.5	Very low	224 Å²	224	149.2 Å²	149.2	88%	0.878	80%	0.802	S	S	*	*			trans	-65	158	167.1	-98.9	-110.4	0	0	0	113.5
581	K	31.5	Very low	34.4	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	81%	0.807	S	S	*	*			trans	100.3	56.2	141.6	-149.9	-174.5	-175.7	-174.6	0	119.8
582	E	34.1	Very low	34.2	Very low	199 Å²	199	152.1 Å²	152.1	93%	0.93	81%	0.814	S	S	*	*			trans	-169.6	120.2	136.8	-116	171.6	-176	0	0	110.5
583	A	31.9	Very low	34.2	Very low	90 Å²	90	150 Å²	150	74%	0.744	81%	0.812	S	S	*	*			trans	-176.3	117.3	158.4	0	0	0	0	0	111.6
584	L	32.8	Very low	34.2	Very low	156 Å²	156	152.3 Å²	152.3	82%	0.817	81%	0.814	S	S	*	*				45.4	125.9	127.5	-78	76.8	0	0	0	120.4
585	V	35.9	Very low	34.3	Very low	114 Å²	114	152.5 Å²	152.5	69%	0.691	82%	0.816	S	S	*	*				72.6	117.7	62.8	173.3	0	0	0	0	113.2
586	N	33.1	Very low	34.4	Very low	156 Å²	156	155.1 Å²	155.1	83%	0.834	82%	0.821	S	S	*	*			trans	38.3	89	151.3	-57.7	-13.9	0	0	0	119.5
587	S	39	Very low	34.4	Very low	127 Å²	127	156.2 Å²	156.2	89%	0.888	82%	0.82	S	S	*	*			trans	-165.3	149.7	132.5	52.5	0	0	0	0	108.6
588	G	32.9	Very low	34.7	Very low	61 Å²	61	154.3 Å²	154.3	63%	0.629	82%	0.819	S	S	*	*			cis	173.6	141.2	-8.5	0	0	0	0	0	109.3
589	Y	32.2	Very low	35	Very low	212 Å²	212	154.2 Å²	154.2	83%	0.831	82%	0.818	S	S	*	*			trans	49.9	105.7	166.1	-68.3	-87.3	0	0	0	118.7
590	Q	37.2	Very low	35.1	Very low	164 Å²	164	155.6 Å²	155.6	77%	0.766	82%	0.815	S	S	*	*				66.3	110.1	57.4	-165.4	-165.6	42.4	0	0	114.5
591	R	32.9	Very low	35.6	Very low	226 Å²	226	152.6 Å²	152.6	85%	0.853	81%	0.809	S	S	*	*			trans	161.4	142.5	152	-96.3	179.8	-174.1	-169.5	3.3	108.5
592	I	31.6	Very low	36.2	Very low	147 Å²	147	148.8 Å²	148.8	75%	0.754	80%	0.802	S	S	*	*			cis	-144.6	137.8	0.3	-73.7	118.4	0	0	0	108.5
593	S	34.1	Very low	36.7	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	80%	0.802	S	S	*	*	S	Bend	trans	-171.1	71.3	146.9	50.2	0	0	0	0	112.9
594	N	36.8	Very low	37.3	Very low	173 Å²	173	144.4 Å²	144.4	93%	0.925	80%	0.798	S	S	*	*			trans	-168.4	132.3	157.9	-101	-32.5	0	0	0	109.7
595	G	36.7	Very low	37.9	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	80%	0.8	S	S	*	*			trans	129.3	85.6	164.1	0	0	0	0	0	118
596	R	36.4	Very low	38.7	Very low	256 Å²	256	150.1 Å²	150.1	97%	0.966	83%	0.826	S	S	*	*				59.3	129	128.6	-126.6	174.1	-167	167.7	2	122.2
597	I	39.9	Very low	39	Very low	145 Å²	145	149.8 Å²	149.8	74%	0.744	83%	0.826	S	S	*	*			trans	-59.5	145.6	174.2	-68.9	164.3	0	0	0	115.7
598	K	40.4	Very low	39	Very low	212 Å²	212	151 Å²	151	92%	0.922	82%	0.822	S	S	*	*			trans	78.5	132.9	156.8	-81.7	167.6	-174.9	-174.9	0	121.4
599	G	39.1	Very low	39.3	Very low	74 Å²	74	156 Å²	156	76%	0.763	83%	0.833	S	S	*	*			trans	118	78.2	168	0	0	0	0	0	113.6
600	L	39	Very low	39.8	Very low	154 Å²	154	152.7 Å²	152.7	81%	0.806	83%	0.833	S	S	*	*				74.1	108.1	82.1	-144.7	92.8	0	0	0	115.2
601	H	40.3	Very low	39.9	Very low	161 Å²	161	152 Å²	152	75%	0.745	84%	0.837	S	S	*	*			trans	58.2	152.5	167.1	-64.9	-68.3	0	0	0	118.2
602	T	43.3	Very low	40.4	Very low	115 Å²	115	147.1 Å²	147.1	71%	0.706	84%	0.836	S	S	*	*			cis	-170.2	145.9	-10.3	22.5	0	0	0	0	109
603	S	44.7	Very low	41	Very low	132 Å²	132	147.1 Å²	147.1	92%	0.923	84%	0.842	S	S	*	*			trans	57.2	141.6	157.6	-155.9	0	0	0	0	118.9
604	G	45.7	Very low	41.5	Very low	64 Å²	64	150 Å²	150	66%	0.66	85%	0.848	S	S	*	*			cis	179.9	132.2	-6.1	0	0	0	0	0	110
605	K	45.3	Very low	41.9	Very low	198 Å²	198	148.1 Å²	148.1	86%	0.861	84%	0.842	S	S	*	*			trans	24.7	156.3	140.8	-77.6	-171.3	174.1	-175.6	0	122.5
606	P	52.7	Low	42.4	Very low	192 Å²	192	154.8 Å²	154.8	100%	1.247	85%	0.849	S	S	*	*			cis	-76.4	0	15.8	30	-35.5	0	0	0	115.6

Retrieved 606 of 606 residues in 824.5 ms (Link to these results)

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