A0A5K4F2S1_SCHMA Loading...

Kinesin motor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2S1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.7	Confident	90.1	Very high	174 Å²	174	39.5 Å²	39.5	86%	0.857	21%	0.212	S	C	*	.				0	156.1	0	-82.6	-176.1	-121.7	0	0	108	S331	M1-S331 PolarHBondContact O-N 3.44Å
2	S	86	Confident	88.7	Confident	61 Å²	61	39 Å²	39	43%	0.427	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-113.1	171.3	170.4	61.2	0	0	0	0	111.2	T4 M327 I329	S2-T4 PolarHBondContact O-N 2.96Å; S2-M327 WeakPolarHBondContact CB-O 3.42Å; S2-M327 PolarHBondContact OG-O 3.12Å; S2-I329 CarbonylContact C-O 3.58Å; S2-I329 WeakPolarHBondContact CA-O 3.43Å; S2-I329 VanDerWaalsContact CB-O 3.27Å; S2-I329 WeakPolarHBondContact CB-O 3.46Å
3	V	89.7	Confident	87.2	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.036	25%	0.25	C	S	.	.			trans	-57.9	132.1	174	171.6	0	0	0	0	109.8	V5 T300 I329	V3-V5 HydrophobicContact CG1-CG2 4.25Å; V3-T300 HydrophobicContact CG1-CG2 4.45Å; V3-I329 HydrophobicContact CB-CB 4.41Å; V3-I329 HydrophobicContact CG2-CB 3.75Å; V3-I329 HydrophobicContact CG2-CD1 4.41Å; V3-I329 HydrophobicContact CG2-CG2 3.84Å; V3-I329 PolarHBondContact N-O 3.22Å
4	T	93.3	Very high	85.4	Confident	28 Å²	28	47.9 Å²	47.9	17%	0.172	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.1	176.8	-52.6	0	0	0	0	108.9	S2 F6 N54 T300 I301 L302	S2-T4 PolarHBondContact O-N 2.96Å; T4-F6 HydrophobicContact CG2-CE1 3.88Å; T4-F6 HydrophobicContact CG2-CE2 3.97Å; T4-F6 HydrophobicContact CG2-CZ 3.57Å; T4-N54 WeakPolarHBondContact CA-OD1 3.47Å; T4-N54 HydrophobicContact CG2-CB 3.99Å; T4-T300 PolarHBondContact N-O 3.2Å; T4-I301 CarbonylContact O-C 3.58Å; T4-I301 VanDerWaalsContact O-CA 3.28Å; T4-I301 WeakPolarHBondContact O-CA 3.36Å; T4-L302 PolarHBondContact O-N 2.88Å
5	V	94.7	Very high	83.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.2	-178.3	-176.7	0	0	0	0	109.8	V3 F53 N54 L302 A323 A326 M327	V3-V5 HydrophobicContact CG1-CG2 4.25Å; V5-F53 HydrophobicContact CB-CD1 4.4Å; V5-F53 HydrophobicContact CG1-CD1 3.8Å; V5-F53 HydrophobicContact CG1-CE1 4.27Å; V5-N54 PolarHBondContact N-OD1 3.49Å; V5-N54 WeakPolarHBondContact O-CB 3.39Å; V5-N54 PolarHBondContact O-N 2.92Å; V5-N54 PolarHBondContact O-OD1 2.94Å; V5-L302 CarbonylContact C-O 3.59Å; V5-L302 WeakPolarHBondContact CA-O 3.37Å; V5-L302 HydrophobicContact CG1-CB 4.41Å; V5-L302 HydrophobicContact CG1-CD2 4.18Å; V5-L302 HydrophobicContact CG1-CG 4.47Å; V5-L302 HydrophobicContact CG2-CB 4.12Å; V5-L302 HydrophobicContact CG2-CD2 4.33Å; V5-A323 HydrophobicContact CG1-CB 3.85Å; V5-A326 HydrophobicContact CG2-CB 4.19Å; V5-M327 HydrophobicContact CB-CG 3.51Å; V5-M327 HydrophobicContact CB-SD 4.2Å; V5-M327 HydrophobicContact CG1-CG 4.39Å; V5-M327 HydrophobicContact CG2-CB 4.25Å; V5-M327 HydrophobicContact CG2-CG 3.28Å
6	F	95.9	Very high	81.2	Confident	16 Å²	16	61.3 Å²	61.3	7%	0.07	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.7	173.1	-60.6	-51.5	0	0	0	110.1	T4 N54 K55 F57 V68 T69 I301 L302 I303 A304	T4-F6 HydrophobicContact CG2-CE1 3.88Å; T4-F6 HydrophobicContact CG2-CE2 3.97Å; T4-F6 HydrophobicContact CG2-CZ 3.57Å; F6-N54 HydrophobicContact CD1-CB 4Å; F6-N54 HydrophobicContact CE1-CB 3.78Å; F6-K55 WeakPolarHBondContact CA-O 3.4Å; F6-K55 HydrophobicContact CD1-CB 3.57Å; F6-K55 HydrophobicContact CE1-CB 3.75Å; F6-F57 HydrophobicContact CB-CD2 4.2Å; F6-F57 HydrophobicContact CB-CE2 3.7Å; F6-F57 HydrophobicContact CD1-CE2 4.18Å; F6-F57 HydrophobicContact CD2-CE2 4.25Å; F6-F57 AromaticContact CG-CE2 3.8Å; F6-F57 HydrophobicContact CG-CE2 3.8Å; F6-F57 HydrophobicContact CG-CZ 4.5Å; F6-V68 HydrophobicContact CE2-CG2 4.03Å; F6-V68 HydrophobicContact CZ-CB 4.31Å; F6-V68 HydrophobicContact CZ-CG2 4.13Å; F6-T69 HydrophobicContact CD2-CG2 4.01Å; F6-T69 HydrophobicContact CE2-CG2 4.02Å; F6-I301 HydrophobicContact CD2-CG2 3.51Å; F6-I301 HydrophobicContact CE2-CD1 4.36Å; F6-I301 HydrophobicContact CE2-CG2 3.7Å; F6-L302 PolarHBondContact N-O 3.3Å; F6-I303 CarbonylContact O-C 3.53Å; F6-I303 WeakPolarHBondContact O-CA 3.34Å; F6-A304 PolarHBondContact O-N 2.92Å
7	L	95.5	Very high	79.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.1	172.4	-169.7	71.6	0	0	0	108.7	V9 V29 F53 K55 I56 F57 A304 I306 L320	L7-V9 HydrophobicContact CD2-CG2 4.24Å; L7-V9 HydrophobicContact CG-CG2 4.38Å; L7-V29 HydrophobicContact CD2-CG2 3.38Å; L7-F53 HydrophobicContact CB-CD2 3.99Å; L7-F53 HydrophobicContact CB-CE2 4.44Å; L7-F53 HydrophobicContact CB-CG 4.39Å; L7-F53 HydrophobicContact CD1-CE2 4.28Å; L7-F53 HydrophobicContact CD2-CD2 4.07Å; L7-F53 HydrophobicContact CD2-CE2 3.98Å; L7-F53 HydrophobicContact CG-CD2 4.49Å; L7-F53 HydrophobicContact CG-CE2 4.5Å; L7-K55 PolarHBondContact N-O 3.33Å; L7-I56 HydrophobicContact CB-CB 4.49Å; L7-I56 HydrophobicContact CB-CG1 4.1Å; L7-I56 HydrophobicContact CB-CG2 4.38Å; L7-I56 HydrophobicContact CD2-CG1 4.21Å; L7-I56 HydrophobicContact CD2-CG2 4.19Å; L7-I56 CarbonylContact O-C 3.59Å; L7-I56 WeakPolarHBondContact O-CA 3.39Å; L7-F57 PolarHBondContact O-N 3.32Å; L7-A304 CarbonylContact C-O 3.59Å; L7-A304 WeakPolarHBondContact CA-O 3.48Å; L7-A304 HydrophobicContact CD1-CB 3.84Å; L7-A304 WeakPolarHBondContact CD1-O 3.48Å; L7-I306 HydrophobicContact CD1-CD1 3.94Å; L7-I306 HydrophobicContact CD1-CG1 3.99Å; L7-I306 HydrophobicContact CD1-CG2 3.88Å; L7-I306 HydrophobicContact CD2-CD1 3.82Å; L7-I306 HydrophobicContact CD2-CG1 4.48Å; L7-I306 HydrophobicContact CG-CD1 4.06Å; L7-I306 HydrophobicContact CG-CG1 4.2Å; L7-L320 HydrophobicContact CD1-CD2 3.64Å; L7-L320 HydrophobicContact CD2-CD2 3.99Å
8	R	94.9	Very high	77.9	Confident	21 Å²	21	67.6 Å²	67.6	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.5	171.2	-171.9	179.7	-174.2	161.5	9.9	109.4	F57 I65 T86 I303 A304 N305 I306	R8-F57 HydrophobicContact CB-CB 4.42Å; R8-F57 HydrophobicContact CG-CB 4.21Å; R8-I65 HydrophobicContact CG-CD1 4.42Å; R8-I65 VanDerWaalsContact NH2-CD1 3.31Å; R8-T86 VanDerWaalsContact CD-OG1 3.27Å; R8-T86 WeakPolarHBondContact CD-OG1 3.39Å; R8-T86 VanDerWaalsContact NH1-CA 3.26Å; R8-T86 VanDerWaalsContact NH1-CB 3.29Å; R8-T86 PolarHBondContact NH1-OG1 3.04Å; R8-I303 HydrophobicContact CB-CG2 3.93Å; R8-A304 PolarHBondContact N-O 3.47Å; R8-N305 WeakPolarHBondContact O-CA 3.4Å; R8-I306 PolarHBondContact O-N 2.95Å
9	V	92.6	Very high	77	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.1	-179.2	-172.6	0	0	0	0	108.8	L7 P11 I56 F57 Y58 I306 N308	L7-V9 HydrophobicContact CD2-CG2 4.24Å; L7-V9 HydrophobicContact CG-CG2 4.38Å; V9-P11 WeakPolarHBondContact O-CD 3.47Å; V9-I56 HydrophobicContact CG2-CG2 4.03Å; V9-F57 PolarHBondContact N-O 3.4Å; V9-Y58 HydrophobicContact CB-CD2 3.68Å; V9-Y58 HydrophobicContact CB-CE2 4.31Å; V9-Y58 HydrophobicContact CB-CG 4.44Å; V9-Y58 HydrophobicContact CG1-CD2 3.72Å; V9-Y58 HydrophobicContact CG1-CE2 3.83Å; V9-I306 HydrophobicContact CB-CG1 4.35Å; V9-I306 HydrophobicContact CG1-CG1 4.42Å; V9-I306 HydrophobicContact CG2-CD1 3.96Å; V9-I306 HydrophobicContact CG2-CG1 3.97Å; V9-N308 HydrophobicContact CG1-CB 3.94Å
10	K	90.5	Very high	76.6	Confident	65 Å²	65	65.3 Å²	65.3	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.8	171.8	-179.9	-179.6	172.7	-170.3	0	109.4	S12 G80 I306 W307	K10-S12 PolarHBondContact O-N 2.76Å; K10-G80 VanDerWaalsContact CD-O 3.25Å; K10-G80 WeakPolarHBondContact CD-O 3.46Å; K10-G80 PolarHBondContact NZ-O 3.27Å; K10-I306 WeakPolarHBondContact CB-O 2.89Å; K10-I306 PolarHBondContact N-O 3.15Å; K10-W307 HydrophobicContact CB-CG 4.42Å; K10-W307 HydrophobicContact CD-CD2 3.92Å; K10-W307 HydrophobicContact CD-CE3 4.45Å; K10-W307 HydrophobicContact CD-CG 3.96Å
11	P	82.8	Confident	76.6	Confident	58 Å²	58	62.3 Å²	62.3	38%	0.377	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.5	172.3	-27	36.9	0	0	0	111.9	V9	V9-P11 WeakPolarHBondContact O-CD 3.47Å
12	S	74.2	Confident	76.8	Confident	34 Å²	34	58.4 Å²	58.4	24%	0.238	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-78.9	138.7	170.1	177.6	0	0	0	0	109.9	K10 H14	K10-S12 PolarHBondContact O-N 2.76Å; S12-H14 PolarHBondContact O-N 2.83Å; S12-H14 PolarHBondContact OG-N 3.23Å; S12-H14 VanDerWaalsContact OG-N 3.11Å; S12-H14 PolarHBondContact OG-O 2.89Å
13	S	68.8	Low	76.5	Confident	98 Å²	98	58.6 Å²	58.6	69%	0.685	31%	0.308	S	S	*	.	S	Bend	trans	-72.7	-15.9	170.2	42.6	0	0	0	0	112.7
14	H	61.9	Low	75.9	Confident	105 Å²	105	64.8 Å²	64.8	49%	0.486	34%	0.336	S	S	.	.			trans	-104.7	102	-172.4	-57.8	-68.9	0	0	0	110.7	S12 N16 L17	S12-H14 PolarHBondContact O-N 2.83Å; S12-H14 PolarHBondContact OG-N 3.23Å; S12-H14 VanDerWaalsContact OG-N 3.11Å; S12-H14 PolarHBondContact OG-O 2.89Å; H14-N16 PolarHBondContact O-N 3.49Å; H14-N16 VanDerWaalsContact O-N 3.08Å; H14-L17 HydrophobicContact CB-CD1 3.84Å; H14-L17 HydrophobicContact CB-CG 4.13Å; H14-L17 PolarHBondContact O-N 3.4Å
15	V	55.5	Low	75.5	Confident	148 Å²	148	66.9 Å²	66.9	90%	0.897	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	176.9	-176.8	0	0	0	0	112.9
16	N	48.7	Very low	75.2	Confident	161 Å²	161	72.2 Å²	72.2	86%	0.861	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	0.5	-171.9	-80.3	-22	0	0	0	116	H14	H14-N16 PolarHBondContact O-N 3.49Å; H14-N16 VanDerWaalsContact O-N 3.08Å
17	L	50.5	Low	74.9	Confident	83 Å²	83	75 Å²	75	44%	0.435	39%	0.388	S	S	.	.	S	Bend	trans	-82.8	130	172.2	-75.8	168.1	0	0	0	109	H14 E19	H14-L17 HydrophobicContact CB-CD1 3.84Å; H14-L17 HydrophobicContact CB-CG 4.13Å; H14-L17 PolarHBondContact O-N 3.4Å; L17-E19 PolarHBondContact O-N 3.5Å
18	K	52.9	Low	74.7	Confident	153 Å²	153	75.8 Å²	75.8	67%	0.665	39%	0.392	S	S	*	.			trans	-56.3	106.7	172.4	-71.5	175.8	178.8	171.5	0	108	V20	K18-V20 PolarHBondContact O-N 3.27Å
19	E	60.5	Low	74.4	Confident	85 Å²	85	74.8 Å²	74.8	40%	0.397	39%	0.389	S	S	.	.			trans	-49.5	124.9	167.6	-67.9	-175.1	155.9	0	0	107.9	L17 Y58 N308	L17-E19 PolarHBondContact O-N 3.5Å; E19-Y58 PolarHBondContact OE1-OH 2.89Å; E19-N308 WeakPolarHBondContact CB-ND2 3.44Å
20	V	67.8	Low	74	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.03	40%	0.396	C	S	.	.	S	Bend	trans	-83.2	-26.5	-179.7	-171.2	0	0	0	0	110.5	K18 I31 N308 C310 L313	K18-V20 PolarHBondContact O-N 3.27Å; V20-I31 HydrophobicContact CG1-CG2 4.25Å; V20-N308 PolarHBondContact N-OD1 3.41Å; V20-C310 HydrophobicContact CG2-CB 4.06Å; V20-C310 WeakPolarHBondContact CG2-SG 3.47Å; V20-L313 HydrophobicContact CB-CD1 4.12Å; V20-L313 HydrophobicContact CG1-CD1 3.47Å; V20-L313 VanDerWaalsContact CG1-CD1 3.47Å; V20-L313 HydrophobicContact CG1-CD2 3.86Å; V20-L313 HydrophobicContact CG1-CG 4.23Å
21	L	77	Confident	73.5	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.016	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	178.5	-52.9	172.2	0	0	0	109	V29 H30 I31 I306 N308 T316 L320	L21-V29 HydrophobicContact CB-CG1 3.97Å; L21-V29 HydrophobicContact CD2-CG1 3.94Å; L21-V29 HydrophobicContact CG-CG1 4.37Å; L21-H30 WeakPolarHBondContact CA-O 3.14Å; L21-I31 HydrophobicContact CD2-CB 4.34Å; L21-I31 HydrophobicContact CD2-CD1 3.76Å; L21-I31 HydrophobicContact CD2-CG1 3.55Å; L21-I31 HydrophobicContact CD2-CG2 4.24Å; L21-I306 HydrophobicContact CD1-CD1 3.46Å; L21-I306 VanDerWaalsContact CD1-CD1 3.46Å; L21-N308 HydrophobicContact CD1-CB 4.17Å; L21-N308 WeakPolarHBondContact CG-OD1 3.43Å; L21-N308 PolarHBondContact N-OD1 3.03Å; L21-T316 HydrophobicContact CD1-CG2 3.87Å; L21-T316 HydrophobicContact CD2-CG2 4.4Å; L21-L320 HydrophobicContact CD2-CD1 4.3Å
22	Y	78.2	Confident	72.9	Confident	92 Å²	92	73.4 Å²	73.4	36%	0.361	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.7	167.5	-59	-87.3	0	0	0	108.7	H30 D32 K35	Y22-H30 PolarHBondContact N-O 3.22Å; Y22-H30 PolarHBondContact O-N 2.94Å; Y22-D32 HydrophobicContact CD2-CB 4.49Å; Y22-D32 HydrophobicContact CE2-CB 3.94Å; Y22-D32 VanDerWaalsContact CE2-OD2 3.22Å; Y22-D32 WeakPolarHBondContact CE2-OD2 3.36Å; Y22-K35 PolarHBondContact OH-NZ 3.2Å
23	L	80.6	Confident	72.2	Confident	65 Å²	65	73.2 Å²	73.2	34%	0.34	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.9	171.3	-53.1	-178.2	0	0	0	107.1	V29 I56 Y58	L23-V29 HydrophobicContact CD2-CB 4.48Å; L23-V29 HydrophobicContact CD2-CG1 4.38Å; L23-V29 HydrophobicContact CD2-CG2 3.72Å; L23-I56 HydrophobicContact CD1-CG2 4.25Å; L23-I56 HydrophobicContact CD2-CD1 4.21Å; L23-I56 HydrophobicContact CD2-CG2 4.09Å; L23-Y58 HydrophobicContact CD1-CD1 3.75Å; L23-Y58 HydrophobicContact CD1-CG 3.87Å
24	E	78	Confident	71.3	Confident	136 Å²	136	77.2 Å²	77.2	64%	0.636	38%	0.378	S	S	*	.	S	Bend	trans	-77.3	-40.6	177.1	174.7	-179.9	-148.6	0	0	110.8	T28 H30	E24-T28 PolarHBondContact N-O 3.3Å; E24-T28 VanDerWaalsContact N-O 3.12Å; E24-H30 VanDerWaalsContact CB-CD2 3.47Å; E24-H30 WeakPolarHBondContact CB-CD2 3.39Å; E24-H30 WeakPolarHBondContact CB-NE2 3.42Å; E24-H30 IonicContact OE2-CD2 3.61Å; E24-H30 IonicContact OE2-CE1 2.75Å; E24-H30 PolarHBondContact OE2-CE1 3.3Å; E24-H30 IonicContact OE2-NE2 2.8Å; E24-H30 PolarHBondContact OE2-NE2 3.35Å
25	D	84.9	Confident	70.6	Confident	71 Å²	71	78.2 Å²	78.2	38%	0.38	38%	0.381	S	S	.	.	S	Bend	trans	-149.2	-174.9	176.4	65.6	6.2	0	0	0	110.2	Q27 T28	D25-Q27 PolarHBondContact O-N 3.21Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.46Å; D25-Q27 PolarHBondContact OD1-N 2.96Å; D25-T28 WeakPolarHBondContact OD1-CA 3.29Å; D25-T28 WeakPolarHBondContact OD1-CB 3.42Å; D25-T28 PolarHBondContact OD1-N 3.34Å; D25-T28 PolarHBondContact OD1-OG1 2.95Å
26	D	86.9	Confident	70.2	Confident	113 Å²	113	74.1 Å²	74.1	60%	0.604	35%	0.351	S	S	*	.	S	Bend	trans	-68.1	7.6	177.1	-75	-5.8	0	0	0	113.6	K55 I56	D26-K55 CarbonylContact O-C 3.57Å; D26-K55 VanDerWaalsContact O-CA 3.27Å; D26-K55 WeakPolarHBondContact O-CA 3.36Å; D26-I56 PolarHBondContact O-N 3.08Å
27	Q	91.1	Very high	70.1	Confident	75 Å²	75	75.8 Å²	75.8	35%	0.35	35%	0.351	S	S	.	.	S	Bend	trans	-132.5	-24.7	-176.6	-67.1	-173.7	-4.8	0	0	114.1	D25 K52 F53	D25-Q27 PolarHBondContact O-N 3.21Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.46Å; D25-Q27 PolarHBondContact OD1-N 2.96Å; Q27-K52 HydrophobicContact CB-CG 4.37Å; Q27-K52 CarbonylContact O-C 3.52Å; Q27-K52 WeakPolarHBondContact O-CA 3.4Å; Q27-F53 WeakPolarHBondContact CB-O 3.42Å; Q27-F53 PolarHBondContact O-N 2.93Å
28	T	89.9	Confident	69.9	Low	15 Å²	15	79.5 Å²	79.5	9%	0.092	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.8	-164.4	-47.7	0	0	0	0	111	E24 D25 Y51 I56	E24-T28 PolarHBondContact N-O 3.3Å; E24-T28 VanDerWaalsContact N-O 3.12Å; D25-T28 WeakPolarHBondContact OD1-CA 3.29Å; D25-T28 WeakPolarHBondContact OD1-CB 3.42Å; D25-T28 PolarHBondContact OD1-N 3.34Å; D25-T28 PolarHBondContact OD1-OG1 2.95Å; T28-Y51 WeakPolarHBondContact CA-O 3.36Å; T28-I56 VanDerWaalsContact N-CD1 3.3Å
29	V	88.5	Confident	69.6	Low	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.6	173.6	-175.7	0	0	0	0	109.8	L7 L21 L23 N50 Y51 F53 I56	L7-V29 HydrophobicContact CD2-CG2 3.38Å; L21-V29 HydrophobicContact CB-CG1 3.97Å; L21-V29 HydrophobicContact CD2-CG1 3.94Å; L21-V29 HydrophobicContact CG-CG1 4.37Å; L23-V29 HydrophobicContact CD2-CB 4.48Å; L23-V29 HydrophobicContact CD2-CG1 4.38Å; L23-V29 HydrophobicContact CD2-CG2 3.72Å; V29-N50 WeakPolarHBondContact O-CA 3.43Å; V29-Y51 PolarHBondContact N-O 2.9Å; V29-Y51 PolarHBondContact O-N 3.28Å; V29-F53 HydrophobicContact CG2-CE2 4.49Å; V29-I56 HydrophobicContact CG2-CD1 3.41Å; V29-I56 VanDerWaalsContact CG2-CD1 3.41Å; V29-I56 HydrophobicContact CG2-CG1 4.3Å
30	H	85.3	Confident	68.6	Low	38 Å²	38	78.6 Å²	78.6	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.1	171.5	-65	-92.7	0	0	0	110.4	L21 Y22 E24 N50	L21-H30 WeakPolarHBondContact CA-O 3.14Å; Y22-H30 PolarHBondContact N-O 3.22Å; Y22-H30 PolarHBondContact O-N 2.94Å; E24-H30 VanDerWaalsContact CB-CD2 3.47Å; E24-H30 WeakPolarHBondContact CB-CD2 3.39Å; E24-H30 WeakPolarHBondContact CB-NE2 3.42Å; E24-H30 IonicContact OE2-CD2 3.61Å; E24-H30 IonicContact OE2-CE1 2.75Å; E24-H30 PolarHBondContact OE2-CE1 3.3Å; E24-H30 IonicContact OE2-NE2 2.8Å; E24-H30 PolarHBondContact OE2-NE2 3.35Å; H30-N50 PolarHBondContact CE1-ND2 3.48Å; H30-N50 PolarHBondContact ND1-ND2 3.48Å; H30-N50 PolarHBondContact ND1-OD1 2.9Å
31	I	80.2	Confident	67.3	Low	2 Å²	2	81.8 Å²	81.8	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.1	174.2	-42.6	-172	0	0	0	109.3	V20 L21 N33 M49 Y51 L313 L317 L320	V20-I31 HydrophobicContact CG1-CG2 4.25Å; L21-I31 HydrophobicContact CD2-CB 4.34Å; L21-I31 HydrophobicContact CD2-CD1 3.76Å; L21-I31 HydrophobicContact CD2-CG1 3.55Å; L21-I31 HydrophobicContact CD2-CG2 4.24Å; I31-N33 PolarHBondContact O-N 3.4Å; I31-M49 PolarHBondContact N-O 3.42Å; I31-M49 VanDerWaalsContact N-O 3.15Å; I31-Y51 HydrophobicContact CD1-CD2 4.18Å; I31-Y51 HydrophobicContact CD1-CE2 3.77Å; I31-Y51 HydrophobicContact CG1-CE2 4.42Å; I31-L313 HydrophobicContact CG2-CD1 4.13Å; I31-L317 HydrophobicContact CD1-CD1 3.89Å; I31-L320 HydrophobicContact CD1-CD1 3.55Å; I31-L320 HydrophobicContact CG1-CD1 4.46Å
32	D	69	Low	66.1	Low	59 Å²	59	88.8 Å²	88.8	32%	0.316	43%	0.43	S	S	.	.			trans	-85.7	96.8	173.4	-82.2	-15.9	0	0	0	110.6	Y22 Y34	Y22-D32 HydrophobicContact CD2-CB 4.49Å; Y22-D32 HydrophobicContact CE2-CB 3.94Å; Y22-D32 VanDerWaalsContact CE2-OD2 3.22Å; Y22-D32 WeakPolarHBondContact CE2-OD2 3.36Å; D32-Y34 PolarHBondContact O-N 3.37Å
33	N	60.8	Low	64.5	Low	31 Å²	31	90.7 Å²	90.7	17%	0.166	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-67.9	-15.4	171.4	-81.7	-18	0	0	0	113.1	I31 K35 H36 I46	I31-N33 PolarHBondContact O-N 3.4Å; N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 2.87Å; N33-K35 VanDerWaalsContact O-N 3.17Å; N33-H36 PolarHBondContact O-N 3.08Å; N33-I46 HydrophobicContact CB-CG2 3.38Å
34	Y	48.1	Very low	62.7	Low	182 Å²	182	96.8 Å²	96.8	71%	0.714	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.9	-172.5	-97.2	-85.6	0	0	0	115.3	D32 I46	D32-Y34 PolarHBondContact O-N 3.37Å; Y34-I46 HydrophobicContact CD2-CG2 4.43Å; Y34-I46 HydrophobicContact CE2-CB 4.39Å; Y34-I46 HydrophobicContact CE2-CG2 4.45Å
35	K	47.1	Very low	61.1	Low	126 Å²	126	97.8 Å²	97.8	55%	0.548	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-93	-3.9	-175.3	-73.5	-179.1	-177.4	167.6	0	115.2	Y22 N33	Y22-K35 PolarHBondContact OH-NZ 3.2Å; N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 2.87Å; N33-K35 VanDerWaalsContact O-N 3.17Å
36	H	47.2	Very low	59.3	Low	61 Å²	61	97.3 Å²	97.3	28%	0.282	47%	0.474	S	S	.	.			trans	-119.1	96.6	-175.1	-71.9	86.7	0	0	0	112.2	N33 N38 I39 C310	N33-H36 PolarHBondContact O-N 3.08Å; H36-N38 PolarHBondContact O-N 3.3Å; H36-I39 PolarHBondContact O-N 2.94Å; H36-C310 PolarHBondContact NE2-SG 2.83Å
37	K	46.6	Very low	57.7	Low	197 Å²	197	98.2 Å²	98.2	86%	0.857	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-1.4	178.4	-71.8	-174.9	176.4	-178.2	0	115.7
38	N	47	Very low	56.2	Low	160 Å²	160	97.3 Å²	97.3	86%	0.856	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3	-178.2	-72	-6.5	0	0	0	114.4	H36	H36-N38 PolarHBondContact O-N 3.3Å
39	I	46.5	Very low	55.6	Low	75 Å²	75	99.2 Å²	99.2	39%	0.385	49%	0.49	S	S	.	.	S	Bend	trans	-94.8	99.7	167.3	-57.4	171.8	0	0	0	106.4	H36 P41 L313	H36-I39 PolarHBondContact O-N 2.94Å; I39-P41 WeakPolarHBondContact O-CD 3.47Å; I39-L313 HydrophobicContact CD1-CD2 4.22Å
40	M	40.2	Very low	55.5	Low	144 Å²	144	103.7 Å²	103.7	71%	0.709	51%	0.514	S	S	*	.			trans	-52.5	122	172.5	-78.5	-75.3	108.2	0	0	109.2	I42	M40-I42 PolarHBondContact O-N 3.25Å
41	P	40.7	Very low	55.7	Low	73 Å²	73	102.6 Å²	102.6	47%	0.474	51%	0.508	S	S	.	.			trans	-71.2	95.6	176.8	27.2	-31.1	0	0	0	108.7	I39 N43 I46	I39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-N43 PolarHBondContact O-N 3.25Å; P41-I46 HydrophobicContact CB-CD1 4.17Å; P41-I46 HydrophobicContact CB-CG1 4.42Å
42	I	51.4	Low	56.3	Low	150 Å²	150	108.7 Å²	108.7	77%	0.769	54%	0.535	S	S	*	.	S	Bend	trans	-71.1	-16.3	175.8	-65.8	173.8	0	0	0	111	M40	M40-I42 PolarHBondContact O-N 3.25Å
43	N	44.2	Very low	57.5	Low	132 Å²	132	106 Å²	106	71%	0.706	52%	0.52	S	S	*	.	S	Bend	trans	-151.6	143.2	166.7	-85.6	-43.8	0	0	0	110	P41 Q45	P41-N43 PolarHBondContact O-N 3.25Å; N43-Q45 PolarHBondContact O-N 3.26Å
44	H	43.5	Very low	59.1	Low	193 Å²	193	108.1 Å²	108.1	89%	0.894	53%	0.532	S	S	*	.	S	Bend	trans	-66.4	26.5	-175.6	-78.6	75.9	0	0	0	115.4
45	Q	43.9	Very low	61.3	Low	157 Å²	157	102.6 Å²	102.6	73%	0.734	51%	0.511	S	S	*	.			trans	-120.8	75.1	170.2	-72.2	179.1	-12.5	0	0	108.3	N43 M47	N43-Q45 PolarHBondContact O-N 3.26Å; Q45-M47 HydrophobicContact CB-CG 4.16Å; Q45-M47 PolarHBondContact O-N 2.95Å
46	I	47.2	Very low	63.5	Low	61 Å²	61	96.9 Å²	96.9	31%	0.313	49%	0.487	S	S	.	.			trans	-74.8	76.2	166.7	-54.2	176.2	0	0	0	106.2	N33 Y34 P41 A48	N33-I46 HydrophobicContact CB-CG2 3.38Å; Y34-I46 HydrophobicContact CD2-CG2 4.43Å; Y34-I46 HydrophobicContact CE2-CB 4.39Å; Y34-I46 HydrophobicContact CE2-CG2 4.45Å; P41-I46 HydrophobicContact CB-CD1 4.17Å; P41-I46 HydrophobicContact CB-CG1 4.42Å; I46-A48 PolarHBondContact O-N 3.46Å
47	M	54	Low	65.6	Low	131 Å²	131	94.1 Å²	94.1	65%	0.645	47%	0.474	S	S	*	.			trans	-68	126.9	177.3	-55.5	-148	94.4	0	0	107.9	Q45 M49	Q45-M47 HydrophobicContact CB-CG 4.16Å; Q45-M47 PolarHBondContact O-N 2.95Å; M47-M49 WeakPolarHBondContact O-CG 3.45Å; M47-M49 PolarHBondContact O-N 2.9Å; M47-M49 VanDerWaalsContact O-N 3.15Å
48	A	59.1	Low	67.7	Low	56 Å²	56	87.8 Å²	87.8	46%	0.463	45%	0.445	S	S	.	.			trans	-46.9	123.5	158.8	0	0	0	0	0	107.6	I46	I46-A48 PolarHBondContact O-N 3.46Å
49	M	76.4	Confident	69.5	Low	55 Å²	55	86.3 Å²	86.3	27%	0.271	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.4	-178	-62.6	-163.4	82.2	0	0	108.2	I31 M47 Y51 L317	I31-M49 PolarHBondContact N-O 3.42Å; I31-M49 VanDerWaalsContact N-O 3.15Å; M47-M49 WeakPolarHBondContact O-CG 3.45Å; M47-M49 PolarHBondContact O-N 2.9Å; M47-M49 VanDerWaalsContact O-N 3.15Å; M49-Y51 HydrophobicContact CB-CE2 3.81Å; M49-Y51 WeakPolarHBondContact CE-OH 3.38Å; M49-L317 HydrophobicContact SD-CD1 3.81Å
50	N	86.3	Confident	71.6	Confident	94 Å²	94	84.8 Å²	84.8	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	-178.6	-57.3	-4.1	0	0	0	108.6	V29 H30	V29-N50 WeakPolarHBondContact O-CA 3.43Å; H30-N50 PolarHBondContact CE1-ND2 3.48Å; H30-N50 PolarHBondContact ND1-ND2 3.48Å; H30-N50 PolarHBondContact ND1-OD1 2.9Å
51	Y	90.9	Very high	74	Confident	15 Å²	15	80.3 Å²	80.3	6%	0.059	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.5	176	-63.2	-86.8	0	0	0	109.3	T28 V29 I31 M49 F53 L317 L320 R321	T28-Y51 WeakPolarHBondContact CA-O 3.36Å; V29-Y51 PolarHBondContact N-O 2.9Å; V29-Y51 PolarHBondContact O-N 3.28Å; I31-Y51 HydrophobicContact CD1-CD2 4.18Å; I31-Y51 HydrophobicContact CD1-CE2 3.77Å; I31-Y51 HydrophobicContact CG1-CE2 4.42Å; M49-Y51 HydrophobicContact CB-CE2 3.81Å; M49-Y51 WeakPolarHBondContact CE-OH 3.38Å; Y51-F53 HydrophobicContact CG-CZ 4.37Å; Y51-L317 HydrophobicContact CE2-CD1 4.12Å; Y51-L317 VanDerWaalsContact OH-CD1 3.27Å; Y51-L317 WeakPolarHBondContact OH-CD1 3.4Å; Y51-L320 HydrophobicContact CD1-CB 4.19Å; Y51-L320 HydrophobicContact CD2-CB 4.07Å; Y51-L320 HydrophobicContact CD2-CD1 4.1Å; Y51-L320 HydrophobicContact CE1-CB 4.15Å; Y51-L320 HydrophobicContact CE2-CB 4.04Å; Y51-L320 HydrophobicContact CE2-CD1 4.25Å; Y51-L320 HydrophobicContact CG-CB 4.14Å; Y51-R321 HydrophobicContact CE1-CG 4.25Å; Y51-R321 WeakPolarHBondContact OH-CG 3.45Å
52	K	92.3	Very high	76.4	Confident	130 Å²	130	77 Å²	77	57%	0.565	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	124.3	178	-174.6	172.2	-175.2	164.5	0	110.5	Q27 M327	Q27-K52 HydrophobicContact CB-CG 4.37Å; Q27-K52 CarbonylContact O-C 3.52Å; Q27-K52 WeakPolarHBondContact O-CA 3.4Å; K52-M327 WeakPolarHBondContact O-CE 3.37Å; K52-M327 VanDerWaalsContact O-SD 3.35Å
53	F	94.4	Very high	78.3	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.018	37%	0.366	C	S	.	.			trans	-117.6	174.6	179.2	-57.7	-71.2	0	0	0	111.4	V5 L7 Q27 V29 Y51 L320 A323 M327	V5-F53 HydrophobicContact CB-CD1 4.4Å; V5-F53 HydrophobicContact CG1-CD1 3.8Å; V5-F53 HydrophobicContact CG1-CE1 4.27Å; L7-F53 HydrophobicContact CB-CD2 3.99Å; L7-F53 HydrophobicContact CB-CE2 4.44Å; L7-F53 HydrophobicContact CB-CG 4.39Å; L7-F53 HydrophobicContact CD1-CE2 4.28Å; L7-F53 HydrophobicContact CD2-CD2 4.07Å; L7-F53 HydrophobicContact CD2-CE2 3.98Å; L7-F53 HydrophobicContact CG-CD2 4.49Å; L7-F53 HydrophobicContact CG-CE2 4.5Å; Q27-F53 WeakPolarHBondContact CB-O 3.42Å; Q27-F53 PolarHBondContact O-N 2.93Å; V29-F53 HydrophobicContact CG2-CE2 4.49Å; Y51-F53 HydrophobicContact CG-CZ 4.37Å; F53-L320 HydrophobicContact CE2-CD2 3.51Å; F53-L320 HydrophobicContact CZ-CD2 3.56Å; F53-A323 HydrophobicContact CD1-CB 4.36Å; F53-A323 HydrophobicContact CE1-CB 3.51Å; F53-A323 HydrophobicContact CZ-CB 4.07Å; F53-M327 HydrophobicContact CD1-CE 3.53Å; F53-M327 HydrophobicContact CD1-SD 3.97Å; F53-M327 HydrophobicContact CE1-CE 3.74Å
54	N	94	Very high	80.5	Confident	75 Å²	75	71.4 Å²	71.4	40%	0.401	35%	0.352	S	S	.	.	S	Bend	trans	-68.6	-37.2	178.5	-65.1	104.3	0	0	0	112.5	T4 V5 F6	T4-N54 WeakPolarHBondContact CA-OD1 3.47Å; T4-N54 HydrophobicContact CG2-CB 3.99Å; V5-N54 PolarHBondContact N-OD1 3.49Å; V5-N54 WeakPolarHBondContact O-CB 3.39Å; V5-N54 PolarHBondContact O-N 2.92Å; V5-N54 PolarHBondContact O-OD1 2.94Å; F6-N54 HydrophobicContact CD1-CB 4Å; F6-N54 HydrophobicContact CE1-CB 3.78Å
55	K	93.7	Very high	82.8	Confident	66 Å²	66	62.2 Å²	62.2	29%	0.287	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	146.3	174.1	-167.3	166.2	179.8	175.9	0	110.4	F6 L7 D26 F57	F6-K55 WeakPolarHBondContact CA-O 3.4Å; F6-K55 HydrophobicContact CD1-CB 3.57Å; F6-K55 HydrophobicContact CE1-CB 3.75Å; L7-K55 PolarHBondContact N-O 3.33Å; D26-K55 CarbonylContact O-C 3.57Å; D26-K55 VanDerWaalsContact O-CA 3.27Å; D26-K55 WeakPolarHBondContact O-CA 3.36Å; K55-F57 HydrophobicContact CB-CZ 4.31Å; K55-F57 HydrophobicContact CD-CE1 3.72Å; K55-F57 HydrophobicContact CD-CZ 3.81Å; K55-F57 HydrophobicContact CG-CE1 4.1Å; K55-F57 HydrophobicContact CG-CZ 4.06Å
56	I	93.2	Very high	85.1	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.7	173.6	-58.2	169.3	0	0	0	108.1	L7 V9 L23 D26 T28 V29	L7-I56 HydrophobicContact CB-CB 4.49Å; L7-I56 HydrophobicContact CB-CG1 4.1Å; L7-I56 HydrophobicContact CB-CG2 4.38Å; L7-I56 HydrophobicContact CD2-CG1 4.21Å; L7-I56 HydrophobicContact CD2-CG2 4.19Å; L7-I56 CarbonylContact O-C 3.59Å; L7-I56 WeakPolarHBondContact O-CA 3.39Å; V9-I56 HydrophobicContact CG2-CG2 4.03Å; L23-I56 HydrophobicContact CD1-CG2 4.25Å; L23-I56 HydrophobicContact CD2-CD1 4.21Å; L23-I56 HydrophobicContact CD2-CG2 4.09Å; D26-I56 PolarHBondContact O-N 3.08Å; T28-I56 VanDerWaalsContact N-CD1 3.3Å; V29-I56 HydrophobicContact CG2-CD1 3.41Å; V29-I56 VanDerWaalsContact CG2-CD1 3.41Å; V29-I56 HydrophobicContact CG2-CG1 4.3Å
57	F	92.8	Very high	87.1	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.4	174.1	-61.3	-66.8	0	0	0	109.7	F6 L7 R8 V9 K55 N60 I65 V68	F6-F57 HydrophobicContact CB-CD2 4.2Å; F6-F57 HydrophobicContact CB-CE2 3.7Å; F6-F57 HydrophobicContact CD1-CE2 4.18Å; F6-F57 HydrophobicContact CD2-CE2 4.25Å; F6-F57 AromaticContact CG-CE2 3.8Å; F6-F57 HydrophobicContact CG-CE2 3.8Å; F6-F57 HydrophobicContact CG-CZ 4.5Å; L7-F57 PolarHBondContact O-N 3.32Å; R8-F57 HydrophobicContact CB-CB 4.42Å; R8-F57 HydrophobicContact CG-CB 4.21Å; V9-F57 PolarHBondContact N-O 3.4Å; K55-F57 HydrophobicContact CB-CZ 4.31Å; K55-F57 HydrophobicContact CD-CE1 3.72Å; K55-F57 HydrophobicContact CD-CZ 3.81Å; K55-F57 HydrophobicContact CG-CE1 4.1Å; K55-F57 HydrophobicContact CG-CZ 4.06Å; F57-N60 WeakPolarHBondContact CA-OD1 3.33Å; F57-N60 HydrophobicContact CB-CB 4.24Å; F57-N60 HydrophobicContact CD1-CB 3.92Å; F57-I65 HydrophobicContact CB-CD1 4.3Å; F57-I65 HydrophobicContact CB-CG1 4.31Å; F57-I65 HydrophobicContact CD1-CG1 3.8Å; F57-I65 HydrophobicContact CD2-CG1 4.14Å; F57-I65 HydrophobicContact CE1-CG1 4.18Å; F57-I65 HydrophobicContact CE2-CG1 4.48Å; F57-I65 HydrophobicContact CG-CD1 4.29Å; F57-I65 HydrophobicContact CG-CG1 3.81Å; F57-V68 HydrophobicContact CE1-CG2 4.2Å; F57-V68 HydrophobicContact CE2-CG2 4.14Å; F57-V68 HydrophobicContact CZ-CG2 3.37Å
58	Y	89.2	Confident	88.6	Confident	65 Å²	65	55.2 Å²	55.2	26%	0.255	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.6	172.9	-169.7	-138.1	0	0	0	108.6	V9 E19 L23 N60	V9-Y58 HydrophobicContact CB-CD2 3.68Å; V9-Y58 HydrophobicContact CB-CE2 4.31Å; V9-Y58 HydrophobicContact CB-CG 4.44Å; V9-Y58 HydrophobicContact CG1-CD2 3.72Å; V9-Y58 HydrophobicContact CG1-CE2 3.83Å; E19-Y58 PolarHBondContact OE1-OH 2.89Å; L23-Y58 HydrophobicContact CD1-CD1 3.75Å; L23-Y58 HydrophobicContact CD1-CG 3.87Å; Y58-N60 PolarHBondContact N-OD1 3.3Å; Y58-N60 PolarHBondContact O-N 2.79Å; Y58-N60 VanDerWaalsContact O-N 3.08Å; Y58-N60 PolarHBondContact O-OD1 3.09Å
59	H	85.5	Confident	89.7	Confident	128 Å²	128	52.6 Å²	52.6	59%	0.593	26%	0.255	S	S	*	.	S	Bend	trans	60.2	6.9	-171.5	-63.9	-83.3	0	0	0	117
60	N	90	Very high	89.6	Confident	44 Å²	44	53.6 Å²	53.6	24%	0.235	27%	0.273	C	S	.	.			trans	-66.4	144.6	176.2	-60	93.2	0	0	0	112.9	F57 Y58 E64 I65	F57-N60 WeakPolarHBondContact CA-OD1 3.33Å; F57-N60 HydrophobicContact CB-CB 4.24Å; F57-N60 HydrophobicContact CD1-CB 3.92Å; Y58-N60 PolarHBondContact N-OD1 3.3Å; Y58-N60 PolarHBondContact O-N 2.79Å; Y58-N60 VanDerWaalsContact O-N 3.08Å; Y58-N60 PolarHBondContact O-OD1 3.09Å; N60-E64 WeakPolarHBondContact CA-OE2 3.33Å; N60-E64 HydrophobicContact CB-CB 4.33Å; N60-E64 VanDerWaalsContact CB-OE2 3.29Å; N60-E64 WeakPolarHBondContact CB-OE2 3.49Å; N60-E64 PolarHBondContact ND2-OE2 3.28Å; N60-I65 HydrophobicContact CB-CD1 4.49Å; N60-I65 HydrophobicContact CB-CG1 4.26Å
61	S	91	Very high	89.5	Confident	49 Å²	49	53.5 Å²	53.5	34%	0.343	27%	0.265	S	S	.	.			trans	-67.7	159.8	175.4	67.8	0	0	0	0	112	E63 E64 I65	S61-E63 PolarHBondContact O-N 3.37Å; S61-E64 WeakPolarHBondContact CB-OE1 3.35Å; S61-E64 PolarHBondContact O-N 2.92Å; S61-E64 VanDerWaalsContact OG-CD 3.24Å; S61-E64 WeakPolarHBondContact OG-CG 3.37Å; S61-E64 PolarHBondContact OG-N 3.37Å; S61-E64 PolarHBondContact OG-OE1 3.44Å; S61-I65 WeakPolarHBondContact O-CG1 3.43Å; S61-I65 PolarHBondContact O-N 3.49Å
62	Q	91.9	Very high	89.3	Confident	3 Å²	3	53 Å²	53	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-29.9	174.3	-64.1	-78.3	44	0	0	112.2	Y66 Y85 D96 R97	Q62-Y66 WeakPolarHBondContact O-CB 3.3Å; Q62-Y66 PolarHBondContact O-N 3.21Å; Q62-Y85 PolarHBondContact NE2-O 2.92Å; Q62-D96 PolarHBondContact NE2-O 3.33Å; Q62-R97 WeakPolarHBondContact CB-O 3.43Å; Q62-R97 WeakPolarHBondContact CG-O 3.34Å
63	E	91.1	Very high	89.2	Confident	73 Å²	73	46.9 Å²	46.9	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-68.1	-49.1	177.6	-174	57.2	-147.3	0	0	111.3	S61 I65 Y66 Q67 R102	S61-E63 PolarHBondContact O-N 3.37Å; E63-I65 PolarHBondContact O-N 2.96Å; E63-Y66 WeakPolarHBondContact O-CB 3.39Å; E63-Y66 PolarHBondContact O-N 2.8Å; E63-Y66 VanDerWaalsContact O-N 3.08Å; E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.07Å; E63-Q67 PolarHBondContact OE1-NE2 3.49Å; E63-R102 IonicContact OE2-CZ 3.65Å; E63-R102 IonicContact OE2-NE 2.67Å; E63-R102 IonicContact OE2-NH1 3.2Å; E63-R102 PolarHBondContact OE2-NH1 2.88Å
64	E	91	Very high	89.2	Confident	92 Å²	92	47.1 Å²	47.1	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-38.2	177.2	-75	156.4	-127.1	0	0	112.8	N60 S61	N60-E64 WeakPolarHBondContact CA-OE2 3.33Å; N60-E64 HydrophobicContact CB-CB 4.33Å; N60-E64 VanDerWaalsContact CB-OE2 3.29Å; N60-E64 WeakPolarHBondContact CB-OE2 3.49Å; N60-E64 PolarHBondContact ND2-OE2 3.28Å; S61-E64 WeakPolarHBondContact CB-OE1 3.35Å; S61-E64 PolarHBondContact O-N 2.92Å; S61-E64 VanDerWaalsContact OG-CD 3.24Å; S61-E64 WeakPolarHBondContact OG-CG 3.37Å; S61-E64 PolarHBondContact OG-N 3.37Å; S61-E64 PolarHBondContact OG-OE1 3.44Å
65	I	91.8	Very high	89.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-45.3	176.3	-64.3	168.9	0	0	0	109.7	R8 F57 N60 S61 E63 Q67 V68 T69 I99	R8-I65 HydrophobicContact CG-CD1 4.42Å; R8-I65 VanDerWaalsContact NH2-CD1 3.31Å; F57-I65 HydrophobicContact CB-CD1 4.3Å; F57-I65 HydrophobicContact CB-CG1 4.31Å; F57-I65 HydrophobicContact CD1-CG1 3.8Å; F57-I65 HydrophobicContact CD2-CG1 4.14Å; F57-I65 HydrophobicContact CE1-CG1 4.18Å; F57-I65 HydrophobicContact CE2-CG1 4.48Å; F57-I65 HydrophobicContact CG-CD1 4.29Å; F57-I65 HydrophobicContact CG-CG1 3.81Å; N60-I65 HydrophobicContact CB-CD1 4.49Å; N60-I65 HydrophobicContact CB-CG1 4.26Å; S61-I65 WeakPolarHBondContact O-CG1 3.43Å; S61-I65 PolarHBondContact O-N 3.49Å; E63-I65 PolarHBondContact O-N 2.96Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 2.94Å; I65-V68 WeakPolarHBondContact O-CG2 3.39Å; I65-V68 PolarHBondContact O-N 2.97Å; I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.29Å; I65-T69 PolarHBondContact O-N 3.5Å; I65-T69 PolarHBondContact O-OG1 3.43Å; I65-T69 VanDerWaalsContact O-OG1 3.09Å; I65-I99 HydrophobicContact CG2-CD1 4.17Å
66	Y	91.7	Very high	89.4	Confident	20 Å²	20	40.4 Å²	40.4	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-42.7	179.5	177.3	-108.9	0	0	0	112.7	Q62 E63 V68 T69 I99 R102 S103 H106	Q62-Y66 WeakPolarHBondContact O-CB 3.3Å; Q62-Y66 PolarHBondContact O-N 3.21Å; E63-Y66 WeakPolarHBondContact O-CB 3.39Å; E63-Y66 PolarHBondContact O-N 2.8Å; E63-Y66 VanDerWaalsContact O-N 3.08Å; Y66-V68 PolarHBondContact O-N 3.22Å; Y66-V68 VanDerWaalsContact O-N 3.12Å; Y66-T69 WeakPolarHBondContact CA-OG1 3.39Å; Y66-T69 CarbonylContact O-C 3.56Å; Y66-T69 PolarHBondContact O-N 3.24Å; Y66-T69 PolarHBondContact O-OG1 3.4Å; Y66-I99 HydrophobicContact CD2-CG2 4.15Å; Y66-R102 HydrophobicContact CD1-CB 4.04Å; Y66-R102 HydrophobicContact CD2-CB 3.82Å; Y66-R102 HydrophobicContact CE1-CB 4.27Å; Y66-R102 HydrophobicContact CE2-CB 4.07Å; Y66-R102 HydrophobicContact CG-CB 3.83Å; Y66-S103 WeakPolarHBondContact OH-CA 3.5Å; Y66-H106 HydrophobicContact CE1-CB 4.21Å; Y66-H106 AromaticContact CZ-ND1 3.89Å; Y66-H106 VanDerWaalsContact OH-CB 3.25Å; Y66-H106 WeakPolarHBondContact OH-CB 3.5Å; Y66-H106 PolarHBondContact OH-ND1 3.22Å
67	Q	89.1	Confident	89.3	Confident	128 Å²	128	40.1 Å²	40.1	60%	0.598	21%	0.205	S	C	*	.	H	α-helix	trans	-59.1	-26.6	-178	-71.2	-63.1	-21.1	0	0	113.8	E63 I65	E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.07Å; E63-Q67 PolarHBondContact OE1-NE2 3.49Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 2.94Å
68	V	85.9	Confident	89.2	Confident	55 Å²	55	40.2 Å²	40.2	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-96.8	-11	175.7	-55.8	0	0	0	0	113.4	F6 F57 I65 Y66	F6-V68 HydrophobicContact CE2-CG2 4.03Å; F6-V68 HydrophobicContact CZ-CB 4.31Å; F6-V68 HydrophobicContact CZ-CG2 4.13Å; F57-V68 HydrophobicContact CE1-CG2 4.2Å; F57-V68 HydrophobicContact CE2-CG2 4.14Å; F57-V68 HydrophobicContact CZ-CG2 3.37Å; I65-V68 WeakPolarHBondContact O-CG2 3.39Å; I65-V68 PolarHBondContact O-N 2.97Å; Y66-V68 PolarHBondContact O-N 3.22Å; Y66-V68 VanDerWaalsContact O-N 3.12Å
69	T	82.3	Confident	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.			trans	-112.1	82	-175.1	63.8	0	0	0	0	112.4	F6 I65 Y66 I73 I99 I301 I303	F6-T69 HydrophobicContact CD2-CG2 4.01Å; F6-T69 HydrophobicContact CE2-CG2 4.02Å; I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.29Å; I65-T69 PolarHBondContact O-N 3.5Å; I65-T69 PolarHBondContact O-OG1 3.43Å; I65-T69 VanDerWaalsContact O-OG1 3.09Å; Y66-T69 WeakPolarHBondContact CA-OG1 3.39Å; Y66-T69 CarbonylContact O-C 3.56Å; Y66-T69 PolarHBondContact O-N 3.24Å; Y66-T69 PolarHBondContact O-OG1 3.4Å; T69-I73 HydrophobicContact CG2-CD1 4.46Å; T69-I99 HydrophobicContact CG2-CD1 4.48Å; T69-I301 HydrophobicContact CG2-CG2 4.4Å; T69-I303 HydrophobicContact CG2-CD1 3.98Å
70	A	74.2	Confident	89.4	Confident	77 Å²	77	36.1 Å²	36.1	64%	0.636	20%	0.2	S	C	*	.			trans	-104.8	22.1	-176.5	0	0	0	0	0	114.9
71	R	84	Confident	89.4	Confident	91 Å²	91	34 Å²	34	34%	0.343	19%	0.189	S	C	.	.	S	Bend	trans	-139	-172.8	-162.4	-53.3	-178.9	178.3	154.1	-5.3	112.5	I73 Q299 I301	R71-I73 WeakPolarHBondContact O-CD1 3.33Å; R71-I73 VanDerWaalsContact O-CG1 3.27Å; R71-I73 WeakPolarHBondContact O-CG1 3.47Å; R71-I73 PolarHBondContact O-N 3.22Å; R71-Q299 VanDerWaalsContact CD-CG 3.46Å; R71-Q299 VanDerWaalsContact CD-OE1 3.29Å; R71-Q299 VanDerWaalsContact NH1-CD 3.31Å; R71-I301 HydrophobicContact CB-CD1 3.81Å; R71-I301 HydrophobicContact CB-CG1 4.11Å; R71-I301 HydrophobicContact CG-CD1 3.99Å
72	T	85.8	Confident	89.5	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	123.6	167.5	-72.7	0	0	0	0	109.1	L74 H231 T300 I301	T72-L74 HydrophobicContact CG2-CD1 3.98Å; T72-H231 CarbonylContact C-O 3.59Å; T72-H231 WeakPolarHBondContact CA-O 3.3Å; T72-H231 HydrophobicContact CG2-CB 3.85Å; T72-H231 PolarHBondContact OG1-N 3.34Å; T72-T300 HydrophobicContact CG2-CG2 4.48Å; T72-I301 PolarHBondContact O-N 2.94Å
73	I	91.6	Very high	89.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.2	-171.7	-67.8	153.6	0	0	0	109.8	T69 R71 M87 I99 H231 Y232 V233 I301 I303	T69-I73 HydrophobicContact CG2-CD1 4.46Å; R71-I73 WeakPolarHBondContact O-CD1 3.33Å; R71-I73 VanDerWaalsContact O-CG1 3.27Å; R71-I73 WeakPolarHBondContact O-CG1 3.47Å; R71-I73 PolarHBondContact O-N 3.22Å; I73-M87 HydrophobicContact CB-CE 4.46Å; I73-M87 HydrophobicContact CG2-CE 4.2Å; I73-M87 HydrophobicContact CG2-SD 3.91Å; I73-I99 HydrophobicContact CD1-CD1 4.25Å; I73-I99 HydrophobicContact CD1-CG2 3.59Å; I73-H231 PolarHBondContact N-O 3.43Å; I73-Y232 HydrophobicContact CB-CD1 4.45Å; I73-Y232 HydrophobicContact CD1-CD1 4.26Å; I73-Y232 HydrophobicContact CD1-CE1 3.99Å; I73-V233 PolarHBondContact O-N 3.14Å; I73-I301 CarbonylContact C-O 3.58Å; I73-I301 WeakPolarHBondContact CA-O 3.34Å; I73-I301 HydrophobicContact CG1-CB 4.1Å; I73-I301 HydrophobicContact CG1-CG2 4.5Å; I73-I303 HydrophobicContact CG2-CD1 3.62Å; I73-I303 HydrophobicContact CG2-CG1 4Å
74	L	94	Very high	89.7	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.047	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.1	169.5	-71.8	68.3	0	0	0	108.2	T72 V233 L290 I294 T300 I301 L302 I303	T72-L74 HydrophobicContact CG2-CD1 3.98Å; L74-V233 HydrophobicContact CB-CB 4.47Å; L74-V233 HydrophobicContact CD1-CG2 4.41Å; L74-V233 HydrophobicContact CG-CB 4.01Å; L74-V233 HydrophobicContact CG-CG1 4.36Å; L74-V233 HydrophobicContact CG-CG2 4.21Å; L74-L290 HydrophobicContact CD2-CD1 4.33Å; L74-I294 HydrophobicContact CD2-CD1 4.38Å; L74-I294 HydrophobicContact CD2-CG1 3.98Å; L74-T300 HydrophobicContact CD1-CG2 3.62Å; L74-I301 PolarHBondContact N-O 3.1Å; L74-L302 HydrophobicContact CB-CD1 3.92Å; L74-L302 CarbonylContact O-C 3.5Å; L74-L302 WeakPolarHBondContact O-CA 3.47Å; L74-I303 PolarHBondContact O-N 3.02Å
75	C	95.4	Very high	89.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	168	-72.3	0	0	0	0	109.6	K83 M87 V233 L235 I303	C75-K83 HydrophobicContact CB-CB 4Å; C75-K83 HydrophobicContact CB-CG 4.3Å; C75-M87 HydrophobicContact CB-CG 4.11Å; C75-M87 HydrophobicContact CB-SD 4.46Å; C75-M87 VanDerWaalsContact SG-CG 3.51Å; C75-M87 PolarHBondContact SG-SD 3.49Å; C75-V233 PolarHBondContact N-O 3.25Å; C75-L235 VanDerWaalsContact O-CB 3.24Å; C75-L235 WeakPolarHBondContact O-CB 3.37Å; C75-L235 WeakPolarHBondContact O-CG 3.47Å; C75-L235 PolarHBondContact O-N 3.25Å; C75-I303 WeakPolarHBondContact CA-O 3.34Å
76	Y	95.2	Very high	90	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.6	-178.8	179.8	-85.4	0	0	0	111	L235 S238 L261 E265 I303 A304 N305 T319 F322	Y76-L235 HydrophobicContact CD2-CD1 3.77Å; Y76-L235 HydrophobicContact CG-CD1 4.36Å; Y76-S238 WeakPolarHBondContact OH-CB 3.42Å; Y76-L261 HydrophobicContact CD2-CD2 4.37Å; Y76-L261 HydrophobicContact CE2-CD2 4.09Å; Y76-E265 PolarHBondContact OH-OE1 3.02Å; Y76-E265 VanDerWaalsContact OH-OE1 3.14Å; Y76-I303 PolarHBondContact N-O 2.85Å; Y76-A304 CarbonylContact O-C 3.4Å; Y76-N305 PolarHBondContact O-N 3.37Å; Y76-T319 HydrophobicContact CD1-CG2 3.93Å; Y76-T319 HydrophobicContact CE1-CG2 4.18Å; Y76-F322 HydrophobicContact CD1-CB 4.49Å; Y76-F322 AromaticContact CD1-CD1 3.53Å; Y76-F322 HydrophobicContact CD1-CD1 3.53Å; Y76-F322 AromaticContact CD1-CE1 3.92Å; Y76-F322 HydrophobicContact CD1-CE1 3.92Å; Y76-F322 HydrophobicContact CD1-CG 4.08Å; Y76-F322 HydrophobicContact CD2-CD1 4.07Å; Y76-F322 AromaticContact CD2-CE1 3.68Å; Y76-F322 HydrophobicContact CD2-CE1 3.68Å; Y76-F322 HydrophobicContact CD2-CE2 4.36Å; Y76-F322 AromaticContact CD2-CZ 3.83Å; Y76-F322 HydrophobicContact CD2-CZ 3.83Å; Y76-F322 HydrophobicContact CE1-CB 3.93Å; Y76-F322 AromaticContact CE1-CD1 3.73Å; Y76-F322 HydrophobicContact CE1-CD1 3.73Å; Y76-F322 HydrophobicContact CE1-CD2 4.41Å; Y76-F322 HydrophobicContact CE1-CE1 4.33Å; Y76-F322 AromaticContact CE1-CG 3.77Å; Y76-F322 HydrophobicContact CE1-CG 3.77Å; Y76-F322 HydrophobicContact CE2-CD1 4.19Å; Y76-F322 HydrophobicContact CE2-CD2 4.16Å; Y76-F322 HydrophobicContact CE2-CE1 4.06Å; Y76-F322 HydrophobicContact CE2-CE2 4.01Å; Y76-F322 HydrophobicContact CE2-CG 4.23Å; Y76-F322 AromaticContact CE2-CZ 3.96Å; Y76-F322 HydrophobicContact CE2-CZ 3.96Å; Y76-F322 AromaticContact CG-CD1 3.73Å; Y76-F322 HydrophobicContact CG-CD1 3.73Å; Y76-F322 AromaticContact CG-CE1 3.59Å; Y76-F322 HydrophobicContact CG-CE1 3.59Å; Y76-F322 HydrophobicContact CG-CG 4.48Å; Y76-F322 HydrophobicContact CG-CZ 4.23Å; Y76-F322 AromaticContact CZ-CD2 3.99Å; Y76-F322 AromaticContact CZ-CG 3.81Å
77	G	92.8	Very high	90.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.			trans	149.3	175.6	177.2	0	0	0	0	0	112.7	K83 S238 N305	G77-K83 WeakPolarHBondContact O-CD 3.42Å; G77-K83 WeakPolarHBondContact O-CE 3.48Å; G77-K83 PolarHBondContact O-NZ 3.22Å; G77-S238 PolarHBondContact O-N 3.29Å; G77-N305 WeakPolarHBondContact CA-O 3.5Å
78	Q	90.7	Very high	90.3	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.014	16%	0.155	C	C	.	.	S	Bend	trans	-61.9	163.9	-179.8	63.4	179.6	79.7	0	0	113.7	G80 A81 K83 S238 D239 F312 E315	Q78-G80 PolarHBondContact O-N 3.07Å; Q78-A81 HydrophobicContact CG-CB 3.74Å; Q78-A81 WeakPolarHBondContact O-CB 3.34Å; Q78-A81 PolarHBondContact O-N 3.4Å; Q78-K83 PolarHBondContact O-NZ 2.92Å; Q78-S238 PolarHBondContact N-OG 3.18Å; Q78-S238 VanDerWaalsContact N-OG 3.11Å; Q78-D239 HydrophobicContact CB-CB 4.24Å; Q78-F312 VanDerWaalsContact NE2-CG 3.26Å; Q78-E315 HydrophobicContact CB-CB 4.13Å; Q78-E315 VanDerWaalsContact OE1-CB 3.27Å
79	I	89.3	Confident	90.6	Very high	68 Å²	68	24.3 Å²	24.3	35%	0.349	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137.1	167.7	-65	174.6	0	0	0	110.1	A81 D239	I79-A81 VanDerWaalsContact C-N 3.27Å; I79-A81 PolarHBondContact O-N 2.89Å; I79-D239 WeakPolarHBondContact CG1-OD1 3.25Å; I79-D239 PolarHBondContact N-OD1 3.31Å
80	G	88.5	Confident	90.7	Very high	39 Å²	39	28.3 Å²	28.3	40%	0.402	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-1.9	176.5	0	0	0	0	0	115.8	K10 Q78 G82	K10-G80 VanDerWaalsContact CD-O 3.25Å; K10-G80 WeakPolarHBondContact CD-O 3.46Å; K10-G80 PolarHBondContact NZ-O 3.27Å; Q78-G80 PolarHBondContact O-N 3.07Å; G80-G82 PolarHBondContact O-N 3.48Å
81	A	91	Very high	90.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.17	C	C	.	.	S	Bend	trans	-73.4	-3.3	176.1	0	0	0	0	0	114.7	Q78 I79 N305	Q78-A81 HydrophobicContact CG-CB 3.74Å; Q78-A81 WeakPolarHBondContact O-CB 3.34Å; Q78-A81 PolarHBondContact O-N 3.4Å; I79-A81 VanDerWaalsContact C-N 3.27Å; I79-A81 PolarHBondContact O-N 2.89Å; A81-N305 HydrophobicContact CB-CB 3.89Å; A81-N305 WeakPolarHBondContact CB-O 3.3Å
82	G	92.5	Very high	90.3	Very high	22 Å²	22	34 Å²	34	23%	0.227	20%	0.196	C	C	.	.	S	Bend	trans	93.8	23.4	175.1	0	0	0	0	0	115.8	G80 Y85 T86 N305	G80-G82 PolarHBondContact O-N 3.48Å; G82-Y85 PolarHBondContact O-N 3.46Å; G82-T86 WeakPolarHBondContact O-CB 3.47Å; G82-T86 PolarHBondContact O-N 3.18Å; G82-T86 PolarHBondContact O-OG1 2.94Å; G82-N305 PolarHBondContact O-ND2 2.93Å
83	K	94.9	Very high	90	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-58.1	174.8	-59	-174.7	-63.7	-72.7	0	112.4	C75 G77 Q78 Y85 T86 M87 D234 L235 N305	C75-K83 HydrophobicContact CB-CB 4Å; C75-K83 HydrophobicContact CB-CG 4.3Å; G77-K83 WeakPolarHBondContact O-CD 3.42Å; G77-K83 WeakPolarHBondContact O-CE 3.48Å; G77-K83 PolarHBondContact O-NZ 3.22Å; Q78-K83 PolarHBondContact O-NZ 2.92Å; K83-Y85 VanDerWaalsContact C-N 3.31Å; K83-Y85 PolarHBondContact O-N 3.31Å; K83-T86 WeakPolarHBondContact O-CA 3.38Å; K83-T86 VanDerWaalsContact O-CB 3.26Å; K83-T86 WeakPolarHBondContact O-CB 3.27Å; K83-T86 PolarHBondContact O-N 3.37Å; K83-M87 PolarHBondContact O-N 3.49Å; K83-D234 WeakPolarHBondContact CB-OD1 3.47Å; K83-L235 WeakPolarHBondContact CE-O 3.44Å; K83-N305 HydrophobicContact CG-CB 3.91Å
84	T	93.2	Very high	89.6	Confident	58 Å²	58	42.7 Å²	42.7	36%	0.356	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-37.1	177.5	-44.6	0	0	0	0	112.2	T86 M87 N88 G89 D234	T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.01Å; T84-M87 PolarHBondContact O-N 2.72Å; T84-N88 PolarHBondContact O-N 3.38Å; T84-G89 PolarHBondContact O-N 3.21Å; T84-D234 WeakPolarHBondContact CB-OD2 3.37Å; T84-D234 PolarHBondContact N-OD1 3.24Å; T84-D234 PolarHBondContact OG1-OD2 3.33Å
85	Y	93.3	Very high	89.3	Confident	85 Å²	85	48.3 Å²	48.3	33%	0.333	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-37.2	171.2	177.7	-105.4	0	0	0	111.7	Q62 G82 K83 G89 L90	Q62-Y85 PolarHBondContact NE2-O 2.92Å; G82-Y85 PolarHBondContact O-N 3.46Å; K83-Y85 VanDerWaalsContact C-N 3.31Å; K83-Y85 PolarHBondContact O-N 3.31Å; Y85-G89 WeakPolarHBondContact O-CA 3.34Å; Y85-G89 PolarHBondContact O-N 2.91Å; Y85-L90 HydrophobicContact CD2-CD2 4.4Å; Y85-L90 HydrophobicContact CD2-CG 4.03Å; Y85-L90 HydrophobicContact CE2-CD1 4.11Å; Y85-L90 HydrophobicContact CE2-CG 3.86Å
86	T	94.8	Very high	88.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-43	176.1	-57.2	0	0	0	0	112.1	R8 G82 K83 T84 G98 I99 I303 N305	R8-T86 VanDerWaalsContact CD-OG1 3.27Å; R8-T86 WeakPolarHBondContact CD-OG1 3.39Å; R8-T86 VanDerWaalsContact NH1-CA 3.26Å; R8-T86 VanDerWaalsContact NH1-CB 3.29Å; R8-T86 PolarHBondContact NH1-OG1 3.04Å; G82-T86 WeakPolarHBondContact O-CB 3.47Å; G82-T86 PolarHBondContact O-N 3.18Å; G82-T86 PolarHBondContact O-OG1 2.94Å; K83-T86 WeakPolarHBondContact O-CA 3.38Å; K83-T86 VanDerWaalsContact O-CB 3.26Å; K83-T86 WeakPolarHBondContact O-CB 3.27Å; K83-T86 PolarHBondContact O-N 3.37Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.01Å; T86-G98 WeakPolarHBondContact O-CA 3.37Å; T86-I99 HydrophobicContact CG2-CD1 3.64Å; T86-I99 HydrophobicContact CG2-CG1 4.49Å; T86-I99 WeakPolarHBondContact O-CG1 3.18Å; T86-I99 PolarHBondContact O-N 3.01Å; T86-I303 HydrophobicContact CG2-CD1 3.81Å; T86-I303 HydrophobicContact CG2-CG2 4.32Å; T86-N305 PolarHBondContact OG1-ND2 3.45Å
87	M	94.8	Very high	88.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-78.8	-50.2	-175.1	-65.1	-59.3	-96.5	0	0	112.8	I73 C75 K83 T84 G98 I99 I100 Y232 D234	I73-M87 HydrophobicContact CB-CE 4.46Å; I73-M87 HydrophobicContact CG2-CE 4.2Å; I73-M87 HydrophobicContact CG2-SD 3.91Å; C75-M87 HydrophobicContact CB-CG 4.11Å; C75-M87 HydrophobicContact CB-SD 4.46Å; C75-M87 VanDerWaalsContact SG-CG 3.51Å; C75-M87 PolarHBondContact SG-SD 3.49Å; K83-M87 PolarHBondContact O-N 3.49Å; T84-M87 PolarHBondContact O-N 2.72Å; M87-G98 CarbonylContact O-C 3.56Å; M87-I99 PolarHBondContact O-N 3.23Å; M87-I100 HydrophobicContact CB-CD1 4.08Å; M87-I100 HydrophobicContact CB-CG1 4.45Å; M87-I100 WeakPolarHBondContact O-CB 3.31Å; M87-I100 WeakPolarHBondContact O-CG1 3.5Å; M87-I100 PolarHBondContact O-N 3.02Å; M87-Y232 VanDerWaalsContact CE-CB 3.46Å; M87-Y232 HydrophobicContact CE-CD1 4.19Å; M87-Y232 HydrophobicContact CE-CG 4.34Å; M87-D234 HydrophobicContact CG-CB 4.25Å
88	N	93	Very high	88.9	Confident	20 Å²	20	54.7 Å²	54.7	11%	0.107	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-34.1	-172.3	-67.7	51.4	0	0	0	111.3	T84 G98 I100 E188	T84-N88 PolarHBondContact O-N 3.38Å; N88-G98 PolarHBondContact O-N 2.74Å; N88-I100 WeakPolarHBondContact OD1-CD1 3.36Å; N88-E188 WeakPolarHBondContact ND2-CG 3.4Å; N88-E188 PolarHBondContact ND2-OE2 3.44Å
89	G	90.8	Very high	89.1	Confident	15 Å²	15	54.5 Å²	54.5	16%	0.155	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	74.5	-160	-174.3	0	0	0	0	0	112.5	T84 Y85 D96	T84-G89 PolarHBondContact O-N 3.21Å; Y85-G89 WeakPolarHBondContact O-CA 3.34Å; Y85-G89 PolarHBondContact O-N 2.91Å; G89-D96 CarbonylContact C-O 3.57Å; G89-D96 WeakPolarHBondContact CA-O 3.33Å
90	L	84.5	Confident	89.4	Confident	85 Å²	85	51.4 Å²	51.4	45%	0.445	28%	0.278	S	S	.	.			trans	-97.7	133.8	173.1	-59.7	171.5	0	0	0	109.5	Y85 Q92 D96	Y85-L90 HydrophobicContact CD2-CD2 4.4Å; Y85-L90 HydrophobicContact CD2-CG 4.03Å; Y85-L90 HydrophobicContact CE2-CD1 4.11Å; Y85-L90 HydrophobicContact CE2-CG 3.86Å; L90-Q92 PolarHBondContact O-N 3.03Å; L90-D96 HydrophobicContact CB-CB 3.82Å; L90-D96 HydrophobicContact CD1-CB 4.17Å; L90-D96 HydrophobicContact CG-CB 4.25Å; L90-D96 PolarHBondContact N-O 3.03Å; L90-D96 VanDerWaalsContact N-O 3.08Å
91	S	75	Confident	89.7	Confident	96 Å²	96	50 Å²	50	67%	0.671	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.9	179.6	-62.1	0	0	0	0	114.1
92	Q	74.5	Confident	89.8	Confident	190 Å²	190	51.1 Å²	51.1	89%	0.888	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-31.7	-167.6	-65	175.7	-8	0	0	113.7	L90	L90-Q92 PolarHBondContact O-N 3.03Å
93	A	80.6	Confident	89.9	Confident	36 Å²	36	50.4 Å²	50.4	30%	0.298	26%	0.257	S	S	.	.			trans	-126.7	136.7	-174.2	0	0	0	0	0	111.6	N95 D96 R97	A93-N95 VanDerWaalsContact C-N 3.28Å; A93-N95 PolarHBondContact O-N 2.89Å; A93-D96 HydrophobicContact CB-CB 4.24Å; A93-D96 WeakPolarHBondContact CB-OD2 3.23Å; A93-D96 PolarHBondContact O-N 2.73Å; A93-D96 VanDerWaalsContact O-N 3.14Å; A93-R97 PolarHBondContact O-N 3.15Å
94	Y	83.2	Confident	89.9	Confident	154 Å²	154	49.8 Å²	49.8	60%	0.604	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-59.6	-39.3	178.6	-175.4	-91.9	0	0	0	112.4	D96 R97 R102	Y94-D96 PolarHBondContact O-N 3.27Å; Y94-R97 VanDerWaalsContact CE2-NH1 3.32Å; Y94-R97 WeakPolarHBondContact O-CB 3.32Å; Y94-R97 WeakPolarHBondContact O-CG 3.43Å; Y94-R97 PolarHBondContact O-N 3.2Å; Y94-R102 PolarHBondContact O-NH2 3.23Å
95	N	86.7	Confident	90	Very high	126 Å²	126	48.1 Å²	48.1	67%	0.674	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-68	-22.3	180	-67	-16.3	0	0	0	113.1	A93 R102	A93-N95 VanDerWaalsContact C-N 3.28Å; A93-N95 PolarHBondContact O-N 2.89Å; N95-R102 VanDerWaalsContact C-NH2 3.32Å; N95-R102 PolarHBondContact O-NH2 3.2Å
96	D	88.4	Confident	90	Very high	53 Å²	53	48 Å²	48	28%	0.283	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-96.8	-0.6	-177.5	-62.4	-28.9	0	0	0	113.1	Q62 G89 L90 A93 Y94 G98	Q62-D96 PolarHBondContact NE2-O 3.33Å; G89-D96 CarbonylContact C-O 3.57Å; G89-D96 WeakPolarHBondContact CA-O 3.33Å; L90-D96 HydrophobicContact CB-CB 3.82Å; L90-D96 HydrophobicContact CD1-CB 4.17Å; L90-D96 HydrophobicContact CG-CB 4.25Å; L90-D96 PolarHBondContact N-O 3.03Å; L90-D96 VanDerWaalsContact N-O 3.08Å; A93-D96 HydrophobicContact CB-CB 4.24Å; A93-D96 WeakPolarHBondContact CB-OD2 3.23Å; A93-D96 PolarHBondContact O-N 2.73Å; A93-D96 VanDerWaalsContact O-N 3.14Å; Y94-D96 PolarHBondContact O-N 3.27Å; D96-G98 PolarHBondContact O-N 3.38Å
97	R	92.4	Very high	90.1	Very high	82 Å²	82	49.5 Å²	49.5	31%	0.309	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-52.8	131.9	173.2	-77.2	-179.6	176.4	-172.8	0.7	110.3	Q62 A93 Y94 P101 R102	Q62-R97 WeakPolarHBondContact CB-O 3.43Å; Q62-R97 WeakPolarHBondContact CG-O 3.34Å; A93-R97 PolarHBondContact O-N 3.15Å; Y94-R97 VanDerWaalsContact CE2-NH1 3.32Å; Y94-R97 WeakPolarHBondContact O-CB 3.32Å; Y94-R97 WeakPolarHBondContact O-CG 3.43Å; Y94-R97 PolarHBondContact O-N 3.2Å; R97-P101 HydrophobicContact CB-CB 4.43Å; R97-P101 HydrophobicContact CB-CG 3.89Å; R97-P101 HydrophobicContact CG-CB 4.4Å; R97-P101 HydrophobicContact CG-CG 4.22Å; R97-R102 HydrophobicContact CB-CG 4.32Å; R97-R102 PolarHBondContact O-NE 3.06Å; R97-R102 PolarHBondContact O-NH2 3.12Å
98	G	94.2	Very high	90.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.			trans	-78.4	-170.1	177.7	0	0	0	0	0	112.4	T86 M87 N88 D96 I100 P101 R102	T86-G98 WeakPolarHBondContact O-CA 3.37Å; M87-G98 CarbonylContact O-C 3.56Å; N88-G98 PolarHBondContact O-N 2.74Å; D96-G98 PolarHBondContact O-N 3.38Å; G98-I100 PolarHBondContact O-N 2.91Å; G98-P101 WeakPolarHBondContact O-CD 3.46Å; G98-P101 WeakPolarHBondContact O-CG 3.47Å; G98-R102 VanDerWaalsContact O-CG 3.31Å; G98-R102 WeakPolarHBondContact O-CG 3.43Å; G98-R102 PolarHBondContact O-N 3.34Å
99	I	95.3	Very high	90.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-41	-175.9	-66.8	167.8	0	0	0	112.8	I65 Y66 T69 I73 T86 M87 S103 Y232 I303	I65-I99 HydrophobicContact CG2-CD1 4.17Å; Y66-I99 HydrophobicContact CD2-CG2 4.15Å; T69-I99 HydrophobicContact CG2-CD1 4.48Å; I73-I99 HydrophobicContact CD1-CD1 4.25Å; I73-I99 HydrophobicContact CD1-CG2 3.59Å; T86-I99 HydrophobicContact CG2-CD1 3.64Å; T86-I99 HydrophobicContact CG2-CG1 4.49Å; T86-I99 WeakPolarHBondContact O-CG1 3.18Å; T86-I99 PolarHBondContact O-N 3.01Å; M87-I99 PolarHBondContact O-N 3.23Å; I99-S103 VanDerWaalsContact O-CB 3.26Å; I99-S103 WeakPolarHBondContact O-CB 3.38Å; I99-S103 PolarHBondContact O-N 3.42Å; I99-S103 PolarHBondContact O-OG 3.12Å; I99-Y232 HydrophobicContact CG2-CD1 4.12Å; I99-Y232 HydrophobicContact CG2-CE1 3.76Å; I99-I303 HydrophobicContact CD1-CD1 3.53Å
100	I	95.5	Very high	90.4	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-56.3	-176.4	-57.9	173.3	0	0	0	112	M87 N88 G98 R102 S103 I104 L184 F209 Y232	M87-I100 HydrophobicContact CB-CD1 4.08Å; M87-I100 HydrophobicContact CB-CG1 4.45Å; M87-I100 WeakPolarHBondContact O-CB 3.31Å; M87-I100 WeakPolarHBondContact O-CG1 3.5Å; M87-I100 PolarHBondContact O-N 3.02Å; N88-I100 WeakPolarHBondContact OD1-CD1 3.36Å; G98-I100 PolarHBondContact O-N 2.91Å; I100-R102 VanDerWaalsContact C-N 3.26Å; I100-R102 PolarHBondContact O-N 3.42Å; I100-S103 PolarHBondContact O-N 3.43Å; I100-S103 VanDerWaalsContact O-N 3.17Å; I100-S103 PolarHBondContact O-OG 2.98Å; I100-I104 HydrophobicContact CG2-CD1 3.99Å; I100-I104 WeakPolarHBondContact O-CG1 3.39Å; I100-I104 PolarHBondContact O-N 2.8Å; I100-L184 HydrophobicContact CB-CD2 4.41Å; I100-L184 HydrophobicContact CG2-CD1 3.82Å; I100-L184 HydrophobicContact CG2-CD2 3.79Å; I100-L184 HydrophobicContact CG2-CG 4.44Å; I100-F209 HydrophobicContact CD1-CB 4.06Å; I100-F209 HydrophobicContact CG2-CD1 3.54Å; I100-F209 HydrophobicContact CG2-CE1 3.67Å; I100-F209 HydrophobicContact CG2-CG 4.19Å; I100-F209 HydrophobicContact CG2-CZ 4.4Å; I100-Y232 HydrophobicContact CD1-CG 4.29Å; I100-Y232 HydrophobicContact CG1-CD1 3.99Å; I100-Y232 HydrophobicContact CG1-CD2 4.18Å; I100-Y232 HydrophobicContact CG1-CG 3.68Å
101	P	95	Very high	90.9	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.071	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-32.3	179.5	23.2	-33.7	0	0	0	112.7	R97 G98 G105 L181 L184	R97-P101 HydrophobicContact CB-CB 4.43Å; R97-P101 HydrophobicContact CB-CG 3.89Å; R97-P101 HydrophobicContact CG-CB 4.4Å; R97-P101 HydrophobicContact CG-CG 4.22Å; G98-P101 WeakPolarHBondContact O-CD 3.46Å; G98-P101 WeakPolarHBondContact O-CG 3.47Å; P101-G105 PolarHBondContact O-N 3.21Å; P101-G105 VanDerWaalsContact O-N 3.11Å; P101-L181 HydrophobicContact CB-CD2 3.9Å; P101-L184 HydrophobicContact CB-CD2 4.19Å
102	R	93.8	Very high	91.9	Very high	24 Å²	24	56.2 Å²	56.2	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-43.5	173	-72.1	-178.9	-165.6	-76.5	-13.6	111.9	E63 Y66 Y94 N95 R97 G98 I100 I104 G105 H106	E63-R102 IonicContact OE2-CZ 3.65Å; E63-R102 IonicContact OE2-NE 2.67Å; E63-R102 IonicContact OE2-NH1 3.2Å; E63-R102 PolarHBondContact OE2-NH1 2.88Å; Y66-R102 HydrophobicContact CD1-CB 4.04Å; Y66-R102 HydrophobicContact CD2-CB 3.82Å; Y66-R102 HydrophobicContact CE1-CB 4.27Å; Y66-R102 HydrophobicContact CE2-CB 4.07Å; Y66-R102 HydrophobicContact CG-CB 3.83Å; Y94-R102 PolarHBondContact O-NH2 3.23Å; N95-R102 VanDerWaalsContact C-NH2 3.32Å; N95-R102 PolarHBondContact O-NH2 3.2Å; R97-R102 HydrophobicContact CB-CG 4.32Å; R97-R102 PolarHBondContact O-NE 3.06Å; R97-R102 PolarHBondContact O-NH2 3.12Å; G98-R102 VanDerWaalsContact O-CG 3.31Å; G98-R102 WeakPolarHBondContact O-CG 3.43Å; G98-R102 PolarHBondContact O-N 3.34Å; I100-R102 VanDerWaalsContact C-N 3.26Å; I100-R102 PolarHBondContact O-N 3.42Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 2.75Å; R102-G105 PolarHBondContact O-N 3.39Å; R102-H106 WeakPolarHBondContact O-CB 3.43Å; R102-H106 PolarHBondContact O-N 3.01Å
103	S	94.6	Very high	92.9	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-37.4	-179.9	74.8	0	0	0	0	112.9	Y66 I99 I100 L107 Y232	Y66-S103 WeakPolarHBondContact OH-CA 3.5Å; I99-S103 VanDerWaalsContact O-CB 3.26Å; I99-S103 WeakPolarHBondContact O-CB 3.38Å; I99-S103 PolarHBondContact O-N 3.42Å; I99-S103 PolarHBondContact O-OG 3.12Å; I100-S103 PolarHBondContact O-N 3.43Å; I100-S103 VanDerWaalsContact O-N 3.17Å; I100-S103 PolarHBondContact O-OG 2.98Å; S103-L107 WeakPolarHBondContact O-CB 3.26Å; S103-L107 PolarHBondContact O-N 3.47Å; S103-Y232 WeakPolarHBondContact CB-OH 3.19Å; S103-Y232 PolarHBondContact OG-OH 3.45Å
104	I	95.2	Very high	93.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-46.7	172.7	-63.6	169.9	0	0	0	109.9	I100 R102 L107 F108 L177 A180 L181 L184 F209 I211	I100-I104 HydrophobicContact CG2-CD1 3.99Å; I100-I104 WeakPolarHBondContact O-CG1 3.39Å; I100-I104 PolarHBondContact O-N 2.8Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 2.75Å; I104-L107 WeakPolarHBondContact O-CB 3.49Å; I104-L107 PolarHBondContact O-N 3.23Å; I104-F108 HydrophobicContact CG2-CD2 3.94Å; I104-F108 HydrophobicContact CG2-CE2 3.98Å; I104-F108 WeakPolarHBondContact O-CD2 3.4Å; I104-F108 PolarHBondContact O-N 2.95Å; I104-F108 VanDerWaalsContact O-N 3.11Å; I104-L177 HydrophobicContact CB-CD1 4.49Å; I104-L177 HydrophobicContact CG2-CD1 3.67Å; I104-A180 HydrophobicContact CG2-CB 3.46Å; I104-A180 VanDerWaalsContact CG2-CB 3.46Å; I104-L181 HydrophobicContact CD1-CD2 4.48Å; I104-L184 HydrophobicContact CD1-CB 4.49Å; I104-L184 HydrophobicContact CD1-CD2 4.11Å; I104-F209 HydrophobicContact CD1-CE1 3.95Å; I104-F209 HydrophobicContact CD1-CZ 3.93Å; I104-F209 HydrophobicContact CG1-CE1 4.45Å; I104-I211 HydrophobicContact CG1-CD1 4.03Å
105	G	94.2	Very high	93.8	Very high	23 Å²	23	54.3 Å²	54.3	24%	0.237	27%	0.268	C	S	.	.	H	α-helix	trans	-54.3	-55.3	175.9	0	0	0	0	0	112.5	P101 R102 L107 F108 E109	P101-G105 PolarHBondContact O-N 3.21Å; P101-G105 VanDerWaalsContact O-N 3.11Å; R102-G105 PolarHBondContact O-N 3.39Å; G105-L107 VanDerWaalsContact C-N 3.34Å; G105-L107 PolarHBondContact O-N 3.33Å; G105-F108 PolarHBondContact O-N 3.39Å; G105-E109 PolarHBondContact O-N 2.89Å; G105-E109 VanDerWaalsContact O-N 3.11Å
106	H	94.3	Very high	94	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.389	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-37.9	179.7	-177.9	-151.8	0	0	0	112.4	Y66 R102 F108 E109 E110	Y66-H106 HydrophobicContact CE1-CB 4.21Å; Y66-H106 AromaticContact CZ-ND1 3.89Å; Y66-H106 VanDerWaalsContact OH-CB 3.25Å; Y66-H106 WeakPolarHBondContact OH-CB 3.5Å; Y66-H106 PolarHBondContact OH-ND1 3.22Å; R102-H106 WeakPolarHBondContact O-CB 3.43Å; R102-H106 PolarHBondContact O-N 3.01Å; H106-F108 PolarHBondContact O-N 3.48Å; H106-E109 PolarHBondContact O-N 2.91Å; H106-E110 VanDerWaalsContact O-CB 3.24Å; H106-E110 WeakPolarHBondContact O-CB 3.44Å; H106-E110 PolarHBondContact O-N 3.13Å
107	L	95.3	Very high	94.1	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-49.1	175.3	170.5	65.9	0	0	0	111.5	S103 I104 G105 E110 I111 V121 I211 L213	S103-L107 WeakPolarHBondContact O-CB 3.26Å; S103-L107 PolarHBondContact O-N 3.47Å; I104-L107 WeakPolarHBondContact O-CB 3.49Å; I104-L107 PolarHBondContact O-N 3.23Å; G105-L107 VanDerWaalsContact C-N 3.34Å; G105-L107 PolarHBondContact O-N 3.33Å; L107-E110 PolarHBondContact O-N 3Å; L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.94Å; L107-V121 HydrophobicContact CD2-CG1 4.07Å; L107-V121 HydrophobicContact CD2-CG2 4.32Å; L107-I211 HydrophobicContact CD2-CD1 4.36Å; L107-I211 HydrophobicContact CD2-CG2 3.91Å; L107-L213 HydrophobicContact CD1-CD1 3.99Å; L107-L213 HydrophobicContact CD1-CD2 3.87Å; L107-L213 HydrophobicContact CD2-CD2 3.95Å
108	F	96.2	Very high	94.1	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-33.3	-178.6	-83	-76.5	0	0	0	112.9	I104 G105 H106 E110 I111 Q112 V121 V174 N176 L177 A180	I104-F108 HydrophobicContact CG2-CD2 3.94Å; I104-F108 HydrophobicContact CG2-CE2 3.98Å; I104-F108 WeakPolarHBondContact O-CD2 3.4Å; I104-F108 PolarHBondContact O-N 2.95Å; I104-F108 VanDerWaalsContact O-N 3.11Å; G105-F108 PolarHBondContact O-N 3.39Å; H106-F108 PolarHBondContact O-N 3.48Å; F108-E110 VanDerWaalsContact C-N 3.29Å; F108-E110 PolarHBondContact O-N 2.85Å; F108-I111 HydrophobicContact CD1-CD1 4.11Å; F108-I111 HydrophobicContact CE1-CD1 4.33Å; F108-I111 PolarHBondContact O-N 3.44Å; F108-Q112 WeakPolarHBondContact O-CG 3.4Å; F108-Q112 PolarHBondContact O-N 3.42Å; F108-Q112 VanDerWaalsContact O-N 3.12Å; F108-V121 HydrophobicContact CZ-CG2 4.49Å; F108-V174 HydrophobicContact CZ-CG2 3.98Å; F108-N176 VanDerWaalsContact CZ-C 3.5Å; F108-N176 WeakPolarHBondContact CZ-O 3.49Å; F108-L177 HydrophobicContact CB-CB 4.26Å; F108-L177 HydrophobicContact CD2-CB 4.18Å; F108-L177 HydrophobicContact CD2-CD1 4.28Å; F108-L177 HydrophobicContact CG-CB 4.26Å; F108-A180 HydrophobicContact CE2-CB 3.64Å; F108-A180 HydrophobicContact CZ-CB 4.28Å
109	E	95.8	Very high	94.1	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-42.7	169.7	-167.7	-167.4	153.1	0	0	111.2	G105 H106 Q112 K113	G105-E109 PolarHBondContact O-N 2.89Å; G105-E109 VanDerWaalsContact O-N 3.11Å; H106-E109 PolarHBondContact O-N 2.91Å; E109-Q112 PolarHBondContact O-N 2.89Å; E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 WeakPolarHBondContact OE1-CE 3.24Å; E109-K113 IonicContact OE1-NZ 3.32Å; E109-K113 PolarHBondContact OE1-NZ 3.35Å
110	E	94.6	Very high	94.1	Very high	56 Å²	56	55.7 Å²	55.7	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-74.5	-27	-177.4	-165.9	61.3	-172.5	0	0	113.2	H106 L107 F108 K113 R114	H106-E110 VanDerWaalsContact O-CB 3.24Å; H106-E110 WeakPolarHBondContact O-CB 3.44Å; H106-E110 PolarHBondContact O-N 3.13Å; L107-E110 PolarHBondContact O-N 3Å; F108-E110 VanDerWaalsContact C-N 3.29Å; F108-E110 PolarHBondContact O-N 2.85Å; E110-K113 WeakPolarHBondContact OE2-CD 3.39Å; E110-K113 IonicContact OE2-NZ 3.87Å; E110-R114 PolarHBondContact O-NH1 3.15Å; E110-R114 IonicContact OE1-CZ 2.62Å; E110-R114 IonicContact OE1-NH1 2.76Å; E110-R114 PolarHBondContact OE1-NH1 3.16Å; E110-R114 IonicContact OE1-NH2 2.72Å; E110-R114 PolarHBondContact OE1-NH2 3.43Å
111	I	95.1	Very high	94.2	Very high	37 Å²	37	55.8 Å²	55.8	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-45.5	168.4	-71	166.7	0	0	0	110.2	L107 F108 K113 R114 I119 V121	L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.94Å; F108-I111 HydrophobicContact CD1-CD1 4.11Å; F108-I111 HydrophobicContact CE1-CD1 4.33Å; F108-I111 PolarHBondContact O-N 3.44Å; I111-K113 PolarHBondContact O-N 3.04Å; I111-R114 PolarHBondContact O-N 3.37Å; I111-I119 HydrophobicContact CB-CD1 4.38Å; I111-I119 HydrophobicContact CD1-CG2 4.01Å; I111-I119 HydrophobicContact CG1-CB 4.35Å; I111-I119 HydrophobicContact CG1-CD1 3.86Å; I111-I119 HydrophobicContact CG1-CG2 4.02Å; I111-I119 HydrophobicContact CG2-CD1 4.39Å; I111-V121 HydrophobicContact CD1-CG2 3.61Å
112	Q	94.8	Very high	94.3	Very high	156 Å²	156	59.1 Å²	59.1	73%	0.729	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-33.2	179.8	-71.6	173.6	10	0	0	112.5	F108 E109 R114	F108-Q112 WeakPolarHBondContact O-CG 3.4Å; F108-Q112 PolarHBondContact O-N 3.42Å; F108-Q112 VanDerWaalsContact O-N 3.12Å; E109-Q112 PolarHBondContact O-N 2.89Å; Q112-R114 PolarHBondContact O-N 3.21Å
113	K	95.6	Very high	94.4	Very high	118 Å²	118	58 Å²	58	51%	0.513	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.8	176.1	-68.5	170.9	-171.8	164.1	0	114.1	E109 E110 I111 P115	E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 WeakPolarHBondContact OE1-CE 3.24Å; E109-K113 IonicContact OE1-NZ 3.32Å; E109-K113 PolarHBondContact OE1-NZ 3.35Å; E110-K113 WeakPolarHBondContact OE2-CD 3.39Å; E110-K113 IonicContact OE2-NZ 3.87Å; I111-K113 PolarHBondContact O-N 3.04Å; K113-P115 WeakPolarHBondContact O-CD 3.35Å
114	R	93.4	Very high	94.5	Very high	106 Å²	106	57.8 Å²	57.8	40%	0.4	30%	0.299	S	S	.	.			trans	-127	68.8	-176.9	-65.1	-163	-176.1	75.3	5	113.2	E110 I111 Q112 T116 L117	E110-R114 PolarHBondContact O-NH1 3.15Å; E110-R114 IonicContact OE1-CZ 2.62Å; E110-R114 IonicContact OE1-NH1 2.76Å; E110-R114 PolarHBondContact OE1-NH1 3.16Å; E110-R114 IonicContact OE1-NH2 2.72Å; E110-R114 PolarHBondContact OE1-NH2 3.43Å; I111-R114 PolarHBondContact O-N 3.37Å; Q112-R114 PolarHBondContact O-N 3.21Å; R114-T116 PolarHBondContact O-N 3.32Å; R114-L117 HydrophobicContact CB-CD1 4.13Å; R114-L117 HydrophobicContact CB-CG 4.4Å; R114-L117 PolarHBondContact O-N 2.91Å
115	P	89.3	Confident	94.6	Very high	117 Å²	117	57.8 Å²	57.8	76%	0.76	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.3	-178.6	28.7	-36.5	0	0	0	114.4	K113 L117	K113-P115 WeakPolarHBondContact O-CD 3.35Å; P115-L117 VanDerWaalsContact C-N 3.28Å; P115-L117 PolarHBondContact O-N 3.37Å
116	T	90.1	Very high	94.6	Very high	90 Å²	90	56.7 Å²	56.7	55%	0.552	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.3	179.1	55.5	0	0	0	0	113.2	R114 S218	R114-T116 PolarHBondContact O-N 3.32Å; T116-S218 PolarHBondContact O-OG 2.91Å
117	L	92	Very high	94.6	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.8	-179.5	-59	-179.9	0	0	0	110	R114 P115 I119 I215 D217	R114-L117 HydrophobicContact CB-CD1 4.13Å; R114-L117 HydrophobicContact CB-CG 4.4Å; R114-L117 PolarHBondContact O-N 2.91Å; P115-L117 VanDerWaalsContact C-N 3.28Å; P115-L117 PolarHBondContact O-N 3.37Å; L117-I119 HydrophobicContact CB-CD1 4.22Å; L117-I119 HydrophobicContact CB-CG1 4.01Å; L117-I215 HydrophobicContact CB-CG2 4.3Å; L117-I215 HydrophobicContact CD1-CG2 4.12Å; L117-D217 HydrophobicContact CD2-CB 3.93Å
118	S	91.9	Very high	94.5	Very high	62 Å²	62	51.5 Å²	51.5	43%	0.434	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.5	167.9	155.5	0	0	0	0	108.5	I215 T216	S118-I215 WeakPolarHBondContact O-CA 3.32Å; S118-T216 WeakPolarHBondContact CB-OG1 3.2Å; S118-T216 PolarHBondContact N-O 3.37Å; S118-T216 PolarHBondContact O-N 3.17Å; S118-T216 PolarHBondContact O-OG1 3Å; S118-T216 PolarHBondContact OG-OG1 3.19Å
119	I	94.8	Very high	94.1	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.195	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.6	-176	-55.1	174.8	0	0	0	109	I111 L117 V121 T214 I215	I111-I119 HydrophobicContact CB-CD1 4.38Å; I111-I119 HydrophobicContact CD1-CG2 4.01Å; I111-I119 HydrophobicContact CG1-CB 4.35Å; I111-I119 HydrophobicContact CG1-CD1 3.86Å; I111-I119 HydrophobicContact CG1-CG2 4.02Å; I111-I119 HydrophobicContact CG2-CD1 4.39Å; L117-I119 HydrophobicContact CB-CD1 4.22Å; L117-I119 HydrophobicContact CB-CG1 4.01Å; I119-V121 HydrophobicContact CG2-CG2 4.3Å; I119-T214 WeakPolarHBondContact CA-O 3.24Å; I119-I215 HydrophobicContact CG1-CG1 4.25Å; I119-I215 HydrophobicContact CG1-CG2 4.28Å; I119-I215 HydrophobicContact CG2-CG1 4.28Å
120	T	94.9	Very high	93.5	Very high	54 Å²	54	50 Å²	50	33%	0.331	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126	171.4	-58.2	0	0	0	0	109.7	K122 T173 T214	T120-K122 HydrophobicContact CG2-CG 4.36Å; T120-T173 HydrophobicContact CG2-CG2 4.09Å; T120-T214 PolarHBondContact N-O 3.47Å; T120-T214 PolarHBondContact O-N 3.33Å
121	V	97.1	Very high	93.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.9	177.4	-174	0	0	0	0	109.3	L107 F108 I111 I119 L123 T173 V174 I211 Y212 L213	L107-V121 HydrophobicContact CD2-CG1 4.07Å; L107-V121 HydrophobicContact CD2-CG2 4.32Å; F108-V121 HydrophobicContact CZ-CG2 4.49Å; I111-V121 HydrophobicContact CD1-CG2 3.61Å; I119-V121 HydrophobicContact CG2-CG2 4.3Å; V121-L123 HydrophobicContact CG1-CD2 4.26Å; V121-T173 WeakPolarHBondContact O-CA 3.27Å; V121-V174 HydrophobicContact CB-CG2 3.82Å; V121-V174 HydrophobicContact CG1-CG2 3.59Å; V121-V174 PolarHBondContact O-N 3.46Å; V121-I211 HydrophobicContact CG1-CG2 4.02Å; V121-Y212 WeakPolarHBondContact CA-O 3.39Å; V121-L213 HydrophobicContact CB-CD2 4.36Å; V121-L213 HydrophobicContact CG1-CD2 4.17Å; V121-L213 HydrophobicContact CG2-CD2 3.8Å
122	K	96.5	Very high	92.9	Very high	82 Å²	82	51.8 Å²	51.8	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.6	169.6	-54	-176.2	177.9	177.6	0	110.8	T120 C171 L172 T173 Y212	T120-K122 HydrophobicContact CG2-CG 4.36Å; K122-C171 HydrophobicContact CB-CB 4.45Å; K122-L172 CarbonylContact C-O 3.53Å; K122-L172 WeakPolarHBondContact CA-O 3.49Å; K122-T173 WeakPolarHBondContact CE-OG1 3.47Å; K122-T173 HydrophobicContact CG-CG2 4.45Å; K122-Y212 HydrophobicContact CB-CD2 4.38Å; K122-Y212 PolarHBondContact N-O 2.96Å; K122-Y212 WeakPolarHBondContact O-CD2 3.47Å; K122-Y212 PolarHBondContact O-N 3.25Å
123	L	97	Very high	92.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.7	-178.6	-56.4	179.5	0	0	0	109.9	V121 C171 L172 V174 A180 I183 F209 T210 I211	V121-L123 HydrophobicContact CG1-CD2 4.26Å; L123-C171 CarbonylContact O-C 3.6Å; L123-C171 WeakPolarHBondContact O-CA 3.43Å; L123-L172 PolarHBondContact N-O 2.92Å; L123-L172 PolarHBondContact O-N 3.28Å; L123-V174 HydrophobicContact CD1-CG1 3.82Å; L123-V174 HydrophobicContact CD1-CG2 3.92Å; L123-V174 HydrophobicContact CG-CG1 4.32Å; L123-V174 HydrophobicContact CG-CG2 3.95Å; L123-A180 HydrophobicContact CD1-CB 3.84Å; L123-I183 HydrophobicContact CB-CG2 4.41Å; L123-I183 HydrophobicContact CD1-CB 4.39Å; L123-I183 HydrophobicContact CD1-CD1 4.24Å; L123-I183 HydrophobicContact CD1-CG2 4.29Å; L123-F209 HydrophobicContact CB-CZ 4.33Å; L123-F209 HydrophobicContact CD1-CZ 3.98Å; L123-F209 HydrophobicContact CD2-CE1 4.14Å; L123-F209 HydrophobicContact CD2-CZ 3.83Å; L123-F209 HydrophobicContact CG-CZ 4.27Å; L123-T210 WeakPolarHBondContact CA-O 3.45Å; L123-I211 HydrophobicContact CD2-CB 4.2Å; L123-I211 HydrophobicContact CD2-CD1 4.5Å; L123-I211 HydrophobicContact CD2-CG1 3.76Å; L123-I211 HydrophobicContact CD2-CG2 4.13Å
124	S	96.1	Very high	92.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.2	164.4	71.8	0	0	0	0	109.3	T210 Y212	S124-T210 PolarHBondContact N-O 3.38Å; S124-T210 PolarHBondContact O-N 2.92Å; S124-T210 WeakPolarHBondContact OG-CB 3.45Å; S124-Y212 WeakPolarHBondContact OG-CE2 3.14Å; S124-Y212 PolarHBondContact OG-OH 2.91Å
125	Y	96.9	Very high	92.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	119.5	173.3	-161.3	-177.1	0	0	0	110	L136 E188 A207 I208 F209	Y125-L136 HydrophobicContact CD1-CB 4.28Å; Y125-L136 HydrophobicContact CD1-CD1 3.91Å; Y125-L136 HydrophobicContact CD2-CD1 3.71Å; Y125-L136 HydrophobicContact CE1-CD1 3.9Å; Y125-L136 HydrophobicContact CE2-CD1 3.74Å; Y125-L136 HydrophobicContact CG-CB 4.15Å; Y125-L136 HydrophobicContact CG-CD1 3.8Å; Y125-L136 WeakPolarHBondContact O-CB 3.31Å; Y125-L136 PolarHBondContact O-N 3.2Å; Y125-E188 HydrophobicContact CE1-CG 4.16Å; Y125-E188 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E188 WeakPolarHBondContact CE1-OE1 3.39Å; Y125-E188 VanDerWaalsContact CZ-OE1 3.24Å; Y125-E188 PolarHBondContact OH-OE1 2.86Å; Y125-A207 HydrophobicContact CE2-CB 3.85Å; Y125-I208 WeakPolarHBondContact CD2-O 3.34Å; Y125-F209 AromaticContact CD1-CD2 3.98Å; Y125-F209 HydrophobicContact CD1-CD2 3.98Å; Y125-F209 HydrophobicContact CD2-CB 3.87Å; Y125-F209 HydrophobicContact CD2-CD2 4.17Å; Y125-F209 HydrophobicContact CE2-CB 3.96Å; Y125-F209 HydrophobicContact CG-CB 4.35Å; Y125-F209 AromaticContact CG-CD2 3.78Å; Y125-F209 HydrophobicContact CG-CD2 3.78Å
126	I	95.5	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.2	179.3	64.8	177.1	0	0	0	111.4	I128 I133 I134 I166 L169 A207 I208 F289	I126-I128 HydrophobicContact CD1-CG1 4.42Å; I126-I133 HydrophobicContact CB-CG2 4.24Å; I126-I133 HydrophobicContact CD1-CG2 4.3Å; I126-I133 HydrophobicContact CG2-CG2 4.27Å; I126-I134 CarbonylContact C-O 3.55Å; I126-I134 VanDerWaalsContact CA-O 3.23Å; I126-I134 WeakPolarHBondContact CA-O 3.44Å; I126-I166 HydrophobicContact CD1-CD1 3.53Å; I126-I166 HydrophobicContact CG2-CD1 4.47Å; I126-L169 HydrophobicContact CG2-CD1 3.29Å; I126-L169 HydrophobicContact CG2-CD2 4.03Å; I126-L169 HydrophobicContact CG2-CG 4.32Å; I126-A207 WeakPolarHBondContact O-CA 3.4Å; I126-I208 HydrophobicContact CD1-CB 4.26Å; I126-I208 HydrophobicContact CD1-CD1 4.27Å; I126-I208 HydrophobicContact CG1-CB 3.76Å; I126-I208 HydrophobicContact CG1-CD1 4.5Å; I126-I208 HydrophobicContact CG1-CG1 4.41Å; I126-I208 PolarHBondContact N-O 3.42Å; I126-I208 PolarHBondContact O-N 2.99Å; I126-F289 HydrophobicContact CD1-CD1 4.3Å; I126-F289 HydrophobicContact CD1-CE1 4.08Å; I126-F289 HydrophobicContact CD1-CE2 4.38Å; I126-F289 HydrophobicContact CD1-CZ 4.11Å
127	E	93.8	Very high	92.8	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.2	163.7	-175	175	-157.4	0	0	108.9	I134 L136 H206	E127-I134 HydrophobicContact CB-CB 4.48Å; E127-I134 PolarHBondContact N-O 3.39Å; E127-I134 PolarHBondContact O-N 3.46Å; E127-L136 HydrophobicContact CB-CD1 4.06Å; E127-L136 HydrophobicContact CB-CD2 4.01Å; E127-L136 HydrophobicContact CB-CG 4.07Å; E127-H206 CarbonylContact C-O 3.55Å; E127-H206 VanDerWaalsContact CA-O 3.32Å; E127-H206 WeakPolarHBondContact CA-O 3.45Å
128	I	92.9	Very high	92.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.6	168.8	-56	179.7	0	0	0	107.2	I126 Q132 I133 H206 I208 K285 L286	I126-I128 HydrophobicContact CD1-CG1 4.42Å; I128-Q132 WeakPolarHBondContact CA-O 3.46Å; I128-I133 HydrophobicContact CG1-CG1 4.39Å; I128-H206 HydrophobicContact CB-CB 4.32Å; I128-H206 PolarHBondContact N-O 2.95Å; I128-H206 PolarHBondContact O-CD2 3.02Å; I128-H206 PolarHBondContact O-N 3.49Å; I128-I208 HydrophobicContact CD1-CD1 3.84Å; I128-I208 HydrophobicContact CG1-CD1 4.43Å; I128-K285 HydrophobicContact CD1-CB 4.43Å; I128-K285 HydrophobicContact CG2-CB 4.16Å; I128-L286 HydrophobicContact CD1-CB 4.33Å; I128-L286 HydrophobicContact CD1-CD1 4.34Å
129	Y	87.7	Confident	91.8	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	178.4	177	-98.3	0	0	0	109.1	E131 Q132 R200 R204 E253	Y129-E131 VanDerWaalsContact C-N 3.31Å; Y129-E131 PolarHBondContact O-N 3.15Å; Y129-Q132 PolarHBondContact N-O 3.16Å; Y129-Q132 WeakPolarHBondContact O-CB 3.27Å; Y129-Q132 PolarHBondContact O-N 2.96Å; Y129-R200 HydrophobicContact CD1-CG 4.22Å; Y129-R200 HydrophobicContact CE1-CG 3.72Å; Y129-R204 HydrophobicContact CD2-CB 4.47Å; Y129-R204 HydrophobicContact CE2-CB 4.01Å; Y129-E253 VanDerWaalsContact OH-CG 3.28Å; Y129-E253 WeakPolarHBondContact OH-CG 3.37Å; Y129-E253 PolarHBondContact OH-OE1 3.44Å
130	N	84.6	Confident	90.9	Very high	59 Å²	59	27.6 Å²	27.6	32%	0.316	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.3	179.1	-168.7	28.4	0	0	0	113.8	Q132 Y256	N130-Q132 PolarHBondContact O-N 3.34Å; N130-Y256 WeakPolarHBondContact OD1-CB 3.47Å; N130-Y256 WeakPolarHBondContact OD1-CD2 3.32Å
131	E	88.6	Confident	89.5	Confident	31 Å²	31	28.7 Å²	28.7	15%	0.145	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	14.5	-172.9	-63.8	-56.3	132.3	0	0	116.1	Y129 S260 S284 K285	Y129-E131 VanDerWaalsContact C-N 3.31Å; Y129-E131 PolarHBondContact O-N 3.15Å; E131-S260 WeakPolarHBondContact OE1-CB 3.41Å; E131-S284 WeakPolarHBondContact OE2-CA 2.98Å; E131-K285 HydrophobicContact CB-CG 4.47Å; E131-K285 WeakPolarHBondContact O-CG 3.34Å; E131-K285 WeakPolarHBondContact OE2-CG 3.45Å; E131-K285 PolarHBondContact OE2-N 3.35Å
132	Q	88.4	Confident	87.7	Confident	99 Å²	99	29.5 Å²	29.5	46%	0.463	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.5	168.9	-64	-175.9	-20.8	0	0	109.3	I128 Y129 N130	I128-Q132 WeakPolarHBondContact CA-O 3.46Å; Y129-Q132 PolarHBondContact N-O 3.16Å; Y129-Q132 WeakPolarHBondContact O-CB 3.27Å; Y129-Q132 PolarHBondContact O-N 2.96Å; N130-Q132 PolarHBondContact O-N 3.34Å
133	I	92.1	Very high	85.8	Confident	18 Å²	18	36.2 Å²	36.2	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.7	174.1	-56.1	174.6	0	0	0	106.9	I126 I128 L155 I157 I166 K285	I126-I133 HydrophobicContact CB-CG2 4.24Å; I126-I133 HydrophobicContact CD1-CG2 4.3Å; I126-I133 HydrophobicContact CG2-CG2 4.27Å; I128-I133 HydrophobicContact CG1-CG1 4.39Å; I133-L155 HydrophobicContact CB-CB 3.95Å; I133-L155 HydrophobicContact CB-CD1 4.33Å; I133-L155 HydrophobicContact CG2-CB 4.04Å; I133-L155 HydrophobicContact CG2-CD1 3.78Å; I133-I157 HydrophobicContact CD1-CD1 3.89Å; I133-I157 HydrophobicContact CD1-CG1 3.52Å; I133-I166 HydrophobicContact CD1-CD1 4.22Å; I133-I166 HydrophobicContact CD1-CG1 4.39Å; I133-I166 HydrophobicContact CG2-CD1 4.14Å; I133-K285 HydrophobicContact CD1-CB 4.49Å; I133-K285 HydrophobicContact CG1-CB 4.4Å; I133-K285 HydrophobicContact CG1-CG 4.5Å
134	I	90.9	Very high	83.7	Confident	36 Å²	36	39.6 Å²	39.6	19%	0.185	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.5	179.5	-55	173.3	0	0	0	107	I126 E127 L136 R200	I126-I134 CarbonylContact C-O 3.55Å; I126-I134 VanDerWaalsContact CA-O 3.23Å; I126-I134 WeakPolarHBondContact CA-O 3.44Å; E127-I134 HydrophobicContact CB-CB 4.48Å; E127-I134 PolarHBondContact N-O 3.39Å; E127-I134 PolarHBondContact O-N 3.46Å; I134-L136 PolarHBondContact O-N 3.01Å; I134-R200 VanDerWaalsContact CD1-NH1 3.32Å
135	D	92.8	Very high	81.7	Confident	12 Å²	12	41 Å²	41	6%	0.064	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.2	173.4	-179.4	-1.3	0	0	0	109.3	L137 T138 L155 L169 N170	D135-L137 PolarHBondContact O-N 3.28Å; D135-L137 WeakPolarHBondContact OD1-CA 3.1Å; D135-L137 WeakPolarHBondContact OD1-CB 3.33Å; D135-L137 PolarHBondContact OD1-N 2.87Å; D135-T138 PolarHBondContact O-N 3.45Å; D135-T138 PolarHBondContact O-OG1 2.93Å; D135-L155 HydrophobicContact CB-CD1 3.76Å; D135-L169 HydrophobicContact CB-CD1 4.06Å; D135-N170 WeakPolarHBondContact OD2-CB 3.47Å; D135-N170 VanDerWaalsContact OD2-CG 3.3Å; D135-N170 PolarHBondContact OD2-N 3.02Å; D135-N170 PolarHBondContact OD2-ND2 3.5Å
136	L	92.9	Very high	79.5	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.3	-179.9	-64	175.5	0	0	0	112.4	Y125 E127 I134 N190 R191	Y125-L136 HydrophobicContact CD1-CB 4.28Å; Y125-L136 HydrophobicContact CD1-CD1 3.91Å; Y125-L136 HydrophobicContact CD2-CD1 3.71Å; Y125-L136 HydrophobicContact CE1-CD1 3.9Å; Y125-L136 HydrophobicContact CE2-CD1 3.74Å; Y125-L136 HydrophobicContact CG-CB 4.15Å; Y125-L136 HydrophobicContact CG-CD1 3.8Å; Y125-L136 WeakPolarHBondContact O-CB 3.31Å; Y125-L136 PolarHBondContact O-N 3.2Å; E127-L136 HydrophobicContact CB-CD1 4.06Å; E127-L136 HydrophobicContact CB-CD2 4.01Å; E127-L136 HydrophobicContact CB-CG 4.07Å; I134-L136 PolarHBondContact O-N 3.01Å; L136-N190 WeakPolarHBondContact O-CB 3.27Å; L136-N190 PolarHBondContact O-ND2 3.36Å; L136-R191 HydrophobicContact CD1-CB 4.09Å; L136-R191 HydrophobicContact CD1-CG 4.48Å; L136-R191 HydrophobicContact CD2-CB 3.97Å
137	L	92.1	Very high	77.1	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	9.8	178.3	-51.2	-173.7	0	0	0	113.1	D135 G139 I140 L172 I183	D135-L137 PolarHBondContact O-N 3.28Å; D135-L137 WeakPolarHBondContact OD1-CA 3.1Å; D135-L137 WeakPolarHBondContact OD1-CB 3.33Å; D135-L137 PolarHBondContact OD1-N 2.87Å; L137-G139 PolarHBondContact O-N 3.28Å; L137-I140 HydrophobicContact CB-CD1 4.04Å; L137-I140 HydrophobicContact CD2-CD1 3.76Å; L137-I140 WeakPolarHBondContact O-CB 3.32Å; L137-I140 PolarHBondContact O-N 3.43Å; L137-L172 HydrophobicContact CB-CD1 4.2Å; L137-L172 HydrophobicContact CD1-CD1 4.1Å; L137-L172 HydrophobicContact CD1-CG 4.3Å; L137-I183 HydrophobicContact CD1-CG2 3.71Å; L137-I183 HydrophobicContact CD2-CG2 3.67Å; L137-I183 HydrophobicContact CG-CG2 4.33Å
138	T	83.6	Confident	75.2	Confident	67 Å²	67	57.4 Å²	57.4	41%	0.411	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	130.8	178.4	-54.2	0	0	0	0	111	D135 I140 P150	D135-T138 PolarHBondContact O-N 3.45Å; D135-T138 PolarHBondContact O-OG1 2.93Å; T138-I140 VanDerWaalsContact C-N 3.27Å; T138-I140 PolarHBondContact O-N 2.92Å; T138-P150 HydrophobicContact CG2-CB 4.48Å
139	G	78.2	Confident	73.1	Confident	65 Å²	65	64.9 Å²	64.9	67%	0.67	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-3.8	178.7	0	0	0	0	0	114.7	L137 S141	L137-G139 PolarHBondContact O-N 3.28Å; G139-S141 PolarHBondContact O-N 3.36Å
140	I	76.8	Confident	71.4	Confident	20 Å²	20	66.9 Å²	66.9	10%	0.103	37%	0.372	C	S	.	.			trans	-77.4	112.6	172.7	-59.7	176.7	0	0	0	108.4	L137 T138 L172 E186	L137-I140 HydrophobicContact CB-CD1 4.04Å; L137-I140 HydrophobicContact CD2-CD1 3.76Å; L137-I140 WeakPolarHBondContact O-CB 3.32Å; L137-I140 PolarHBondContact O-N 3.43Å; T138-I140 VanDerWaalsContact C-N 3.27Å; T138-I140 PolarHBondContact O-N 2.92Å; I140-L172 HydrophobicContact CB-CD1 4.06Å; I140-L172 HydrophobicContact CG2-CD1 3.75Å; I140-E186 HydrophobicContact CD1-CB 3.6Å; I140-E186 WeakPolarHBondContact CD1-OE2 3.39Å; I140-E186 HydrophobicContact CG1-CB 4.3Å; I140-E186 VanDerWaalsContact CG1-OE2 3.32Å; I140-E186 WeakPolarHBondContact CG1-OE2 3.47Å; I140-E186 WeakPolarHBondContact CG2-OE2 3.47Å
141	S	64.4	Low	69.8	Low	76 Å²	76	66.9 Å²	66.9	53%	0.531	38%	0.377	S	S	.	.			trans	-109.5	110.1	172.3	-166	0	0	0	0	109	G139 T145	G139-S141 PolarHBondContact O-N 3.36Å; S141-T145 PolarHBondContact OG-O 3.38Å
142	L	59.9	Low	67.9	Low	22 Å²	22	74.2 Å²	74.2	12%	0.115	41%	0.408	C	S	.	.			trans	-75.3	153.7	165.9	-64.8	153.4	0	0	0	109.2	T144 T145 L172 E179 I183	L142-T144 PolarHBondContact O-N 3.28Å; L142-T145 PolarHBondContact O-N 2.96Å; L142-T145 VanDerWaalsContact O-O 3.14Å; L142-L172 HydrophobicContact CD1-CB 4.08Å; L142-L172 HydrophobicContact CD1-CD1 4.3Å; L142-E179 HydrophobicContact CD2-CB 4.46Å; L142-E179 HydrophobicContact CD2-CG 4.39Å; L142-I183 HydrophobicContact CD1-CD1 3.56Å; L142-I183 HydrophobicContact CD1-CG1 4.3Å; L142-I183 HydrophobicContact CD2-CD1 4.25Å; L142-I183 HydrophobicContact CD2-CG1 4.3Å; L142-I183 HydrophobicContact CG-CD1 4.34Å
143	K	57.5	Low	66.5	Low	222 Å²	222	71.8 Å²	71.8	97%	0.965	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.3	173.4	-67.4	179.9	-179.5	174	0	112.9
144	T	53.2	Low	65.8	Low	73 Å²	73	80 Å²	80	45%	0.448	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-11.9	-172.3	53	0	0	0	0	114.4	L142	L142-T144 PolarHBondContact O-N 3.28Å
145	T	52.9	Low	65.7	Low	30 Å²	30	79.7 Å²	79.7	18%	0.184	44%	0.444	C	S	.	.	S	Bend	trans	-129.3	111.1	179.5	55.1	0	0	0	0	109.9	S141 L142 C147	S141-T145 PolarHBondContact OG-O 3.38Å; L142-T145 PolarHBondContact O-N 2.96Å; L142-T145 VanDerWaalsContact O-O 3.14Å; T145-C147 PolarHBondContact O-N 3.24Å
146	P	50.5	Low	65.6	Low	118 Å²	118	84.7 Å²	84.7	77%	0.766	47%	0.467	S	S	*	.			trans	-59.4	137.2	174.8	22.3	-30.1	0	0	0	109.8	K148	P146-K148 PolarHBondContact O-N 2.88Å
147	C	45.5	Very low	65.7	Low	76 Å²	76	85 Å²	85	51%	0.514	47%	0.469	S	S	.	.			trans	-50.5	110.6	173.1	-173.6	0	0	0	0	108.6	T145 Q149	T145-C147 PolarHBondContact O-N 3.24Å; C147-Q149 PolarHBondContact O-N 3.01Å
148	K	52.8	Low	65.6	Low	154 Å²	154	85.6 Å²	85.6	67%	0.67	47%	0.474	S	S	*	.			trans	-62	128.3	160.6	-70.9	-178.4	-179.7	177.6	0	104.8	P146	P146-K148 PolarHBondContact O-N 2.88Å
149	Q	49.6	Very low	66	Low	159 Å²	159	85.2 Å²	85.2	74%	0.743	47%	0.468	S	S	*	.			trans	-45.1	135.1	170	-74.7	-148.2	10.7	0	0	108	C147 S151	C147-Q149 PolarHBondContact O-N 3.01Å; Q149-S151 PolarHBondContact O-N 3.42Å
150	P	51.7	Low	66.3	Low	62 Å²	62	85 Å²	85	40%	0.403	46%	0.455	S	S	.	.			trans	-50.1	117.2	177.8	21.6	-31.7	0	0	0	105.6	T138 F152	T138-P150 HydrophobicContact CG2-CB 4.48Å; P150-F152 VanDerWaalsContact C-N 3.26Å; P150-F152 HydrophobicContact CG-CE2 4.35Å; P150-F152 HydrophobicContact CG-CZ 4.45Å; P150-F152 VanDerWaalsContact O-CD2 3.32Å; P150-F152 WeakPolarHBondContact O-CD2 3.42Å; P150-F152 PolarHBondContact O-N 3.46Å
151	S	51.8	Low	66.6	Low	59 Å²	59	91.3 Å²	91.3	41%	0.413	49%	0.49	S	S	.	.			trans	-61.2	104.3	174.5	47.7	0	0	0	0	104.7	Q149 G153 G168	Q149-S151 PolarHBondContact O-N 3.42Å; S151-G153 PolarHBondContact O-N 3.22Å; S151-G168 PolarHBondContact OG-O 2.93Å
152	F	48.3	Very low	67.3	Low	184 Å²	184	91.8 Å²	91.8	81%	0.807	49%	0.486	S	S	*	.			trans	-60.1	-1.7	177.7	-75.7	-85.3	0	0	0	112.3	P150	P150-F152 VanDerWaalsContact C-N 3.26Å; P150-F152 HydrophobicContact CG-CE2 4.35Å; P150-F152 HydrophobicContact CG-CZ 4.45Å; P150-F152 VanDerWaalsContact O-CD2 3.32Å; P150-F152 WeakPolarHBondContact O-CD2 3.42Å; P150-F152 PolarHBondContact O-N 3.46Å
153	G	58.7	Low	68.5	Low	49 Å²	49	94.5 Å²	94.5	51%	0.505	50%	0.498	S	S	.	.	S	Bend	trans	-80.2	141.3	172.3	0	0	0	0	0	112.7	S151 L155	S151-G153 PolarHBondContact O-N 3.22Å; G153-L155 PolarHBondContact O-N 3.47Å
154	F	77.8	Confident	70.1	Confident	189 Å²	189	84.4 Å²	84.4	83%	0.829	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-54.2	130.9	167	-67.1	-87.6	0	0	0	110.7	Q156	F154-Q156 PolarHBondContact O-N 3.04Å
155	L	88.9	Confident	72	Confident	31 Å²	31	85.5 Å²	85.5	16%	0.162	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-62.4	125.6	175.1	-65.2	176.3	0	0	0	110.1	I133 D135 G153 I166 K167 G168	I133-L155 HydrophobicContact CB-CB 3.95Å; I133-L155 HydrophobicContact CB-CD1 4.33Å; I133-L155 HydrophobicContact CG2-CB 4.04Å; I133-L155 HydrophobicContact CG2-CD1 3.78Å; D135-L155 HydrophobicContact CB-CD1 3.76Å; G153-L155 PolarHBondContact O-N 3.47Å; L155-I166 HydrophobicContact CB-CG2 3.88Å; L155-I166 HydrophobicContact CD2-CG2 4.19Å; L155-I166 HydrophobicContact CG-CG2 4.48Å; L155-K167 WeakPolarHBondContact CD2-O 3.33Å; L155-G168 WeakPolarHBondContact CD2-O 3.36Å
156	Q	91.3	Very high	73.9	Confident	117 Å²	117	84.8 Å²	84.8	55%	0.547	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.9	-176.3	-167.3	-178.5	26.2	0	0	111.3	F154 I166 K167	F154-Q156 PolarHBondContact O-N 3.04Å; Q156-I166 WeakPolarHBondContact O-CA 3.47Å; Q156-K167 PolarHBondContact O-N 3.3Å
157	I	93.6	Very high	75.8	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.062	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.8	172.2	-55.2	175.6	0	0	0	109.2	I133 V164 I166 K285 H288 F289	I133-I157 HydrophobicContact CD1-CD1 3.89Å; I133-I157 HydrophobicContact CD1-CG1 3.52Å; I157-V164 HydrophobicContact CG2-CG1 3.38Å; I157-I166 HydrophobicContact CG1-CG1 4.22Å; I157-K285 HydrophobicContact CD1-CB 3.97Å; I157-K285 HydrophobicContact CD1-CD 3.82Å; I157-K285 HydrophobicContact CD1-CG 4.47Å; I157-K285 VanDerWaalsContact CD1-O 3.22Å; I157-K285 WeakPolarHBondContact CD1-O 3.43Å; I157-K285 HydrophobicContact CG1-CD 4.44Å; I157-H288 HydrophobicContact CD1-CB 3.93Å; I157-F289 HydrophobicContact CD1-CB 4.01Å
158	A	91.6	Very high	77.8	Confident	13 Å²	13	82.5 Å²	82.5	11%	0.107	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.3	174.7	0	0	0	0	0	110.8	Y165 K167	A158-Y165 HydrophobicContact CB-CD2 4.39Å; A158-Y165 HydrophobicContact CB-CE1 4.01Å; A158-Y165 HydrophobicContact CB-CE2 3.81Å; A158-Y165 PolarHBondContact N-O 3.43Å; A158-Y165 PolarHBondContact O-N 2.85Å; A158-K167 HydrophobicContact CB-CD 4.15Å; A158-K167 HydrophobicContact CB-CG 4.09Å
159	E	90.7	Very high	79.6	Confident	59 Å²	59	76 Å²	76	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	178.6	-69.1	178.2	-117.9	0	0	109.3	Q163 V164 R282 H288 K291	E159-Q163 WeakPolarHBondContact CA-O 3.38Å; E159-V164 HydrophobicContact CG-CG2 4.24Å; E159-R282 IonicContact OE1-CZ 3.63Å; E159-R282 IonicContact OE1-NE 2.71Å; E159-R282 PolarHBondContact OE1-NE 3.22Å; E159-R282 IonicContact OE1-NH2 3.55Å; E159-R282 PolarHBondContact OE1-NH2 3.3Å; E159-R282 IonicContact OE2-NH2 3.18Å; E159-H288 IonicContact OE1-CD2 3.8Å; E159-H288 IonicContact OE1-CE1 2.65Å; E159-H288 IonicContact OE1-NE2 3.05Å; E159-H288 PolarHBondContact OE1-NE2 2.98Å; E159-K291 IonicContact OE2-NZ 3.41Å; E159-K291 PolarHBondContact OE2-NZ 3.37Å
160	S	85.5	Confident	81.5	Confident	59 Å²	59	69.5 Å²	69.5	41%	0.413	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.9	171.3	-177.2	0	0	0	0	109.2	D162 Q163	S160-D162 PolarHBondContact O-N 3.02Å; S160-Q163 PolarHBondContact N-O 3.24Å; S160-Q163 WeakPolarHBondContact O-CA 3.19Å; S160-Q163 WeakPolarHBondContact O-CB 3.43Å; S160-Q163 PolarHBondContact O-N 2.92Å
161	N	82.1	Confident	83.5	Confident	154 Å²	154	69 Å²	69	82%	0.824	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.4	-177.5	-59.5	-17.1	0	0	0	113	Q163	N161-Q163 PolarHBondContact O-N 3.28Å; N161-Q163 VanDerWaalsContact O-N 3.1Å
162	D	80	Confident	85.5	Confident	85 Å²	85	66.9 Å²	66.9	46%	0.455	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	10.9	-175.3	-159	35.6	0	0	0	115.4	S160 K291 N292	S160-D162 PolarHBondContact O-N 3.02Å; D162-K291 IonicContact OD1-NZ 3.07Å; D162-K291 PolarHBondContact OD1-NZ 3.5Å; D162-N292 PolarHBondContact O-ND2 3.33Å
163	Q	85.2	Confident	87.7	Confident	79 Å²	79	60 Å²	60	37%	0.369	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.8	171.2	-60	-168	1.4	0	0	111.2	E159 S160 N161	E159-Q163 WeakPolarHBondContact CA-O 3.38Å; S160-Q163 PolarHBondContact N-O 3.24Å; S160-Q163 WeakPolarHBondContact O-CA 3.19Å; S160-Q163 WeakPolarHBondContact O-CB 3.43Å; S160-Q163 PolarHBondContact O-N 2.92Å; N161-Q163 PolarHBondContact O-N 3.28Å; N161-Q163 VanDerWaalsContact O-N 3.1Å
164	V	91.1	Very high	89.4	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.2	172.9	-170.7	0	0	0	0	110.3	I157 E159 K229 F289 K291	I157-V164 HydrophobicContact CG2-CG1 3.38Å; E159-V164 HydrophobicContact CG-CG2 4.24Å; V164-K229 PolarHBondContact O-NZ 3.21Å; V164-F289 HydrophobicContact CG1-CD2 4.44Å; V164-K291 HydrophobicContact CG2-CB 4.06Å; V164-K291 HydrophobicContact CG2-CD 4.12Å
165	Y	91.5	Very high	90.2	Very high	96 Å²	96	53.6 Å²	53.6	38%	0.376	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.4	174	65.1	-83.2	0	0	0	110.9	A158 K167	A158-Y165 HydrophobicContact CB-CD2 4.39Å; A158-Y165 HydrophobicContact CB-CE1 4.01Å; A158-Y165 HydrophobicContact CB-CE2 3.81Å; A158-Y165 PolarHBondContact N-O 3.43Å; A158-Y165 PolarHBondContact O-N 2.85Å; Y165-K167 HydrophobicContact CD2-CG 4.47Å; Y165-K167 HydrophobicContact CE2-CG 3.9Å
166	I	93.5	Very high	90.4	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.072	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	178.8	-63.4	164.9	0	0	0	108.7	I126 I133 L155 Q156 I157 L169 F289	I126-I166 HydrophobicContact CD1-CD1 3.53Å; I126-I166 HydrophobicContact CG2-CD1 4.47Å; I133-I166 HydrophobicContact CD1-CD1 4.22Å; I133-I166 HydrophobicContact CD1-CG1 4.39Å; I133-I166 HydrophobicContact CG2-CD1 4.14Å; L155-I166 HydrophobicContact CB-CG2 3.88Å; L155-I166 HydrophobicContact CD2-CG2 4.19Å; L155-I166 HydrophobicContact CG-CG2 4.48Å; Q156-I166 WeakPolarHBondContact O-CA 3.47Å; I157-I166 HydrophobicContact CG1-CG1 4.22Å; I166-L169 HydrophobicContact CB-CB 3.87Å; I166-L169 HydrophobicContact CB-CD2 4.03Å; I166-L169 HydrophobicContact CD1-CD2 4.04Å; I166-L169 HydrophobicContact CG2-CB 3.84Å; I166-F289 HydrophobicContact CD1-CD2 3.52Å; I166-F289 HydrophobicContact CD1-CE2 3.37Å; I166-F289 HydrophobicContact CD1-CG 4.44Å; I166-F289 HydrophobicContact CD1-CZ 4.2Å; I166-F289 HydrophobicContact CG1-CD2 3.82Å; I166-F289 HydrophobicContact CG1-CE2 3.8Å
167	K	90.6	Very high	90.6	Very high	109 Å²	109	52.7 Å²	52.7	47%	0.474	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.6	173.6	-68.4	-179.9	175.4	177.8	0	109.7	L155 Q156 A158 Y165 L169	L155-K167 WeakPolarHBondContact CD2-O 3.33Å; Q156-K167 PolarHBondContact O-N 3.3Å; A158-K167 HydrophobicContact CB-CD 4.15Å; A158-K167 HydrophobicContact CB-CG 4.09Å; Y165-K167 HydrophobicContact CD2-CG 4.47Å; Y165-K167 HydrophobicContact CE2-CG 3.9Å; K167-L169 VanDerWaalsContact C-N 3.3Å
168	G	87.9	Confident	90.7	Very high	37 Å²	37	59.1 Å²	59.1	38%	0.381	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-3	-179.4	0	0	0	0	0	115	S151 L155	S151-G168 PolarHBondContact OG-O 2.93Å; L155-G168 WeakPolarHBondContact CD2-O 3.36Å
169	L	90.7	Very high	90.8	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.089	32%	0.319	C	S	.	.			trans	-69.4	133.2	178.8	178.9	60.2	0	0	0	111.4	I126 D135 I166 K167 C171	I126-L169 HydrophobicContact CG2-CD1 3.29Å; I126-L169 HydrophobicContact CG2-CD2 4.03Å; I126-L169 HydrophobicContact CG2-CG 4.32Å; D135-L169 HydrophobicContact CB-CD1 4.06Å; I166-L169 HydrophobicContact CB-CB 3.87Å; I166-L169 HydrophobicContact CB-CD2 4.03Å; I166-L169 HydrophobicContact CD1-CD2 4.04Å; I166-L169 HydrophobicContact CG2-CB 3.84Å; K167-L169 VanDerWaalsContact C-N 3.3Å; L169-C171 PolarHBondContact O-N 2.95Å
170	N	90	Very high	91	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.123	31%	0.306	C	S	.	.			trans	-75.1	116.9	170.9	-65.3	-51.5	0	0	0	110.6	D135	D135-N170 WeakPolarHBondContact OD2-CB 3.47Å; D135-N170 VanDerWaalsContact OD2-CG 3.3Å; D135-N170 PolarHBondContact OD2-N 3.02Å; D135-N170 PolarHBondContact OD2-ND2 3.5Å
171	C	92.1	Very high	91.5	Very high	52 Å²	52	56.6 Å²	56.6	35%	0.351	30%	0.296	S	S	.	.			trans	-108.6	99.7	168.5	-58.9	0	0	0	0	108.4	K122 L123 L169	K122-C171 HydrophobicContact CB-CB 4.45Å; L123-C171 CarbonylContact O-C 3.6Å; L123-C171 WeakPolarHBondContact O-CA 3.43Å; L169-C171 PolarHBondContact O-N 2.95Å
172	L	93.7	Very high	92	Very high	14 Å²	14	52 Å²	52	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.5	-177.6	-60	-177.6	0	0	0	110.1	K122 L123 L137 I140 L142 I183	K122-L172 CarbonylContact C-O 3.53Å; K122-L172 WeakPolarHBondContact CA-O 3.49Å; L123-L172 PolarHBondContact N-O 2.92Å; L123-L172 PolarHBondContact O-N 3.28Å; L137-L172 HydrophobicContact CB-CD1 4.2Å; L137-L172 HydrophobicContact CD1-CD1 4.1Å; L137-L172 HydrophobicContact CD1-CG 4.3Å; I140-L172 HydrophobicContact CB-CD1 4.06Å; I140-L172 HydrophobicContact CG2-CD1 3.75Å; L142-L172 HydrophobicContact CD1-CB 4.08Å; L142-L172 HydrophobicContact CD1-CD1 4.3Å; L172-I183 HydrophobicContact CB-CD1 4.02Å; L172-I183 HydrophobicContact CD1-CD1 4.01Å; L172-I183 HydrophobicContact CD1-CG1 4.15Å; L172-I183 HydrophobicContact CD1-CG2 4.27Å
173	T	94.8	Very high	92.7	Very high	39 Å²	39	48 Å²	48	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.4	176.8	-53.9	0	0	0	0	108.9	T120 V121 K122	T120-T173 HydrophobicContact CG2-CG2 4.09Å; V121-T173 WeakPolarHBondContact O-CA 3.27Å; K122-T173 WeakPolarHBondContact CE-OG1 3.47Å; K122-T173 HydrophobicContact CG-CG2 4.45Å
174	V	95.2	Very high	93.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.6	-178.7	-69.2	0	0	0	0	110.9	F108 V121 L123 E179 A180 I183	F108-V174 HydrophobicContact CZ-CG2 3.98Å; V121-V174 HydrophobicContact CB-CG2 3.82Å; V121-V174 HydrophobicContact CG1-CG2 3.59Å; V121-V174 PolarHBondContact O-N 3.46Å; L123-V174 HydrophobicContact CD1-CG1 3.82Å; L123-V174 HydrophobicContact CD1-CG2 3.92Å; L123-V174 HydrophobicContact CG-CG1 4.32Å; L123-V174 HydrophobicContact CG-CG2 3.95Å; V174-E179 HydrophobicContact CB-CB 4.33Å; V174-E179 HydrophobicContact CG1-CB 4.17Å; V174-A180 HydrophobicContact CB-CB 4.33Å; V174-A180 HydrophobicContact CG1-CB 4.37Å; V174-A180 HydrophobicContact CG2-CB 4.14Å; V174-I183 HydrophobicContact CG1-CD1 3.19Å
175	N	93.5	Very high	93.2	Very high	100 Å²	100	50.1 Å²	50.1	54%	0.535	26%	0.26	S	S	.	.			trans	-108	-22.8	-175.1	-55.1	-58.4	0	0	0	113	E179	N175-E179 PolarHBondContact N-OE2 3.28Å; N175-E179 PolarHBondContact ND2-OE2 3.07Å
176	N	94.1	Very high	93.3	Very high	63 Å²	63	49.1 Å²	49.1	34%	0.337	26%	0.258	S	S	.	.	S	Bend	trans	-143.2	168.5	-176.9	60.7	58.7	0	0	0	111.5	F108 E178 E179 A180	F108-N176 VanDerWaalsContact CZ-C 3.5Å; F108-N176 WeakPolarHBondContact CZ-O 3.49Å; N176-E178 VanDerWaalsContact C-N 3.31Å; N176-E178 PolarHBondContact O-N 2.84Å; N176-E178 PolarHBondContact OD1-N 2.85Å; N176-E179 PolarHBondContact ND2-OE1 2.99Å; N176-E179 WeakPolarHBondContact OD1-CB 3.36Å; N176-E179 WeakPolarHBondContact OD1-CG 3.41Å; N176-E179 PolarHBondContact OD1-N 2.95Å; N176-A180 PolarHBondContact O-N 3.26Å
177	L	95.6	Very high	93.3	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-40.4	179.9	174.8	58	0	0	0	112.5	I104 F108 A180 L181	I104-L177 HydrophobicContact CB-CD1 4.49Å; I104-L177 HydrophobicContact CG2-CD1 3.67Å; F108-L177 HydrophobicContact CB-CB 4.26Å; F108-L177 HydrophobicContact CD2-CB 4.18Å; F108-L177 HydrophobicContact CD2-CD1 4.28Å; F108-L177 HydrophobicContact CG-CB 4.26Å; L177-A180 PolarHBondContact O-N 2.9Å; L177-L181 HydrophobicContact CD1-CD1 3.83Å; L177-L181 HydrophobicContact CD1-CG 3.95Å; L177-L181 HydrophobicContact CG-CD1 3.98Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.86Å
178	E	94.6	Very high	93.3	Very high	147 Å²	147	45 Å²	45	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-64.5	-50.4	-176.7	-171.8	177.7	178.6	0	0	111.2	N176 A180 L181 T182	N176-E178 VanDerWaalsContact C-N 3.31Å; N176-E178 PolarHBondContact O-N 2.84Å; N176-E178 PolarHBondContact OD1-N 2.85Å; E178-A180 VanDerWaalsContact C-N 3.27Å; E178-A180 PolarHBondContact O-N 3.04Å; E178-L181 PolarHBondContact O-N 3.48Å; E178-L181 VanDerWaalsContact O-N 3.16Å; E178-T182 PolarHBondContact O-N 2.89Å; E178-T182 PolarHBondContact O-OG1 2.53Å; E178-T182 VanDerWaalsContact O-OG1 3.05Å
179	E	94.9	Very high	93.4	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-43.2	175.4	-74.1	176.4	-179.3	0	0	111.7	L142 V174 N175 N176 T182 I183	L142-E179 HydrophobicContact CD2-CB 4.46Å; L142-E179 HydrophobicContact CD2-CG 4.39Å; V174-E179 HydrophobicContact CB-CB 4.33Å; V174-E179 HydrophobicContact CG1-CB 4.17Å; N175-E179 PolarHBondContact N-OE2 3.28Å; N175-E179 PolarHBondContact ND2-OE2 3.07Å; N176-E179 PolarHBondContact ND2-OE1 2.99Å; N176-E179 WeakPolarHBondContact OD1-CB 3.36Å; N176-E179 WeakPolarHBondContact OD1-CG 3.41Å; N176-E179 PolarHBondContact OD1-N 2.95Å; E179-T182 PolarHBondContact O-N 3.39Å; E179-I183 VanDerWaalsContact O-CG1 3.27Å; E179-I183 WeakPolarHBondContact O-CG1 3.37Å; E179-I183 PolarHBondContact O-N 3.44Å; E179-I183 VanDerWaalsContact O-N 3.09Å
180	A	95.5	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-40.8	179.6	0	0	0	0	0	112.9	I104 F108 L123 V174 N176 L177 E178 L184	I104-A180 HydrophobicContact CG2-CB 3.46Å; I104-A180 VanDerWaalsContact CG2-CB 3.46Å; F108-A180 HydrophobicContact CE2-CB 3.64Å; F108-A180 HydrophobicContact CZ-CB 4.28Å; L123-A180 HydrophobicContact CD1-CB 3.84Å; V174-A180 HydrophobicContact CB-CB 4.33Å; V174-A180 HydrophobicContact CG1-CB 4.37Å; V174-A180 HydrophobicContact CG2-CB 4.14Å; N176-A180 PolarHBondContact O-N 3.26Å; L177-A180 PolarHBondContact O-N 2.9Å; E178-A180 VanDerWaalsContact C-N 3.27Å; E178-A180 PolarHBondContact O-N 3.04Å; A180-L184 PolarHBondContact O-N 3.1Å; A180-L184 VanDerWaalsContact O-N 3.17Å
181	L	94.5	Very high	93.4	Very high	39 Å²	39	49 Å²	49	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-37.2	176	-70.9	175.3	0	0	0	112	P101 I104 L177 E178 L184 F185	P101-L181 HydrophobicContact CB-CD2 3.9Å; I104-L181 HydrophobicContact CD1-CD2 4.48Å; L177-L181 HydrophobicContact CD1-CD1 3.83Å; L177-L181 HydrophobicContact CD1-CG 3.95Å; L177-L181 HydrophobicContact CG-CD1 3.98Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.86Å; E178-L181 PolarHBondContact O-N 3.48Å; E178-L181 VanDerWaalsContact O-N 3.16Å; L181-L184 PolarHBondContact O-N 3.35Å; L181-F185 WeakPolarHBondContact O-CB 3.48Å; L181-F185 PolarHBondContact O-N 2.8Å
182	T	93.4	Very high	93	Very high	58 Å²	58	49.7 Å²	49.7	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-47.3	174.4	-60.7	0	0	0	0	111	E178 E179 L184 F185 E186	E178-T182 PolarHBondContact O-N 2.89Å; E178-T182 PolarHBondContact O-OG1 2.53Å; E178-T182 VanDerWaalsContact O-OG1 3.05Å; E179-T182 PolarHBondContact O-N 3.39Å; T182-L184 VanDerWaalsContact C-N 3.33Å; T182-L184 PolarHBondContact O-N 2.98Å; T182-F185 PolarHBondContact O-N 2.88Å; T182-F185 VanDerWaalsContact O-N 3.15Å; T182-E186 HydrophobicContact CG2-CG 4.32Å; T182-E186 WeakPolarHBondContact O-CB 3.48Å; T182-E186 WeakPolarHBondContact O-CG 3.34Å; T182-E186 PolarHBondContact O-N 3.3Å
183	I	94.4	Very high	92.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-41.8	178.1	-69.2	167.8	0	0	0	111.7	L123 L137 L142 L172 V174 E179 F185 G187	L123-I183 HydrophobicContact CB-CG2 4.41Å; L123-I183 HydrophobicContact CD1-CB 4.39Å; L123-I183 HydrophobicContact CD1-CD1 4.24Å; L123-I183 HydrophobicContact CD1-CG2 4.29Å; L137-I183 HydrophobicContact CD1-CG2 3.71Å; L137-I183 HydrophobicContact CD2-CG2 3.67Å; L137-I183 HydrophobicContact CG-CG2 4.33Å; L142-I183 HydrophobicContact CD1-CD1 3.56Å; L142-I183 HydrophobicContact CD1-CG1 4.3Å; L142-I183 HydrophobicContact CD2-CD1 4.25Å; L142-I183 HydrophobicContact CD2-CG1 4.3Å; L142-I183 HydrophobicContact CG-CD1 4.34Å; L172-I183 HydrophobicContact CB-CD1 4.02Å; L172-I183 HydrophobicContact CD1-CD1 4.01Å; L172-I183 HydrophobicContact CD1-CG1 4.15Å; L172-I183 HydrophobicContact CD1-CG2 4.27Å; V174-I183 HydrophobicContact CG1-CD1 3.19Å; E179-I183 VanDerWaalsContact O-CG1 3.27Å; E179-I183 WeakPolarHBondContact O-CG1 3.37Å; E179-I183 PolarHBondContact O-N 3.44Å; E179-I183 VanDerWaalsContact O-N 3.09Å; I183-F185 VanDerWaalsContact C-N 3.33Å; I183-G187 PolarHBondContact O-N 3.02Å
184	L	94.9	Very high	91.5	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-46.9	174.8	176.2	64.2	0	0	0	110.9	I100 P101 I104 A180 L181 T182 G187 E188 F209	I100-L184 HydrophobicContact CB-CD2 4.41Å; I100-L184 HydrophobicContact CG2-CD1 3.82Å; I100-L184 HydrophobicContact CG2-CD2 3.79Å; I100-L184 HydrophobicContact CG2-CG 4.44Å; P101-L184 HydrophobicContact CB-CD2 4.19Å; I104-L184 HydrophobicContact CD1-CB 4.49Å; I104-L184 HydrophobicContact CD1-CD2 4.11Å; A180-L184 PolarHBondContact O-N 3.1Å; A180-L184 VanDerWaalsContact O-N 3.17Å; L181-L184 PolarHBondContact O-N 3.35Å; T182-L184 VanDerWaalsContact C-N 3.33Å; T182-L184 PolarHBondContact O-N 2.98Å; L184-G187 PolarHBondContact O-N 3.47Å; L184-E188 WeakPolarHBondContact O-CG 3.04Å; L184-E188 PolarHBondContact O-N 3.09Å; L184-F209 HydrophobicContact CB-CE2 4.35Å; L184-F209 HydrophobicContact CD1-CD2 3.94Å; L184-F209 HydrophobicContact CD1-CE2 3.96Å; L184-F209 HydrophobicContact CD1-CG 4.36Å; L184-F209 HydrophobicContact CD1-CZ 4.39Å
185	F	93	Very high	90.4	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.544	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-42.9	-177.6	-151.2	-80	0	0	0	112.4	L181 T182 I183 E188 L189	L181-F185 WeakPolarHBondContact O-CB 3.48Å; L181-F185 PolarHBondContact O-N 2.8Å; T182-F185 PolarHBondContact O-N 2.88Å; T182-F185 VanDerWaalsContact O-N 3.15Å; I183-F185 VanDerWaalsContact C-N 3.33Å; F185-E188 PolarHBondContact O-N 2.97Å; F185-L189 WeakPolarHBondContact O-CB 3.44Å; F185-L189 PolarHBondContact O-N 2.85Å
186	E	92.3	Very high	89.3	Confident	74 Å²	74	55 Å²	55	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.3	-73.8	-178	170.1	0	0	111.7	I140 T182 E188 L189 N190	I140-E186 HydrophobicContact CD1-CB 3.6Å; I140-E186 WeakPolarHBondContact CD1-OE2 3.39Å; I140-E186 HydrophobicContact CG1-CB 4.3Å; I140-E186 VanDerWaalsContact CG1-OE2 3.32Å; I140-E186 WeakPolarHBondContact CG1-OE2 3.47Å; I140-E186 WeakPolarHBondContact CG2-OE2 3.47Å; T182-E186 HydrophobicContact CG2-CG 4.32Å; T182-E186 WeakPolarHBondContact O-CB 3.48Å; T182-E186 WeakPolarHBondContact O-CG 3.34Å; T182-E186 PolarHBondContact O-N 3.3Å; E186-E188 VanDerWaalsContact C-N 3.34Å; E186-E188 PolarHBondContact O-N 2.99Å; E186-L189 WeakPolarHBondContact O-CB 3.49Å; E186-L189 PolarHBondContact O-N 3.3Å; E186-N190 WeakPolarHBondContact O-CB 3.15Å; E186-N190 VanDerWaalsContact O-CG 3.28Å; E186-N190 PolarHBondContact O-N 3.11Å; E186-N190 PolarHBondContact O-ND2 3.36Å
187	G	93.3	Very high	87.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-38	175	0	0	0	0	0	113	I183 L184 N190 R191	I183-G187 PolarHBondContact O-N 3.02Å; L184-G187 PolarHBondContact O-N 3.47Å; G187-N190 PolarHBondContact O-N 2.89Å; G187-R191 PolarHBondContact O-N 2.88Å
188	E	91.9	Very high	85.8	Confident	37 Å²	37	57.6 Å²	57.6	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-39.1	172.7	-78.4	-65.2	90.5	0	0	113.2	N88 Y125 L184 F185 E186 N190 R191 T192	N88-E188 WeakPolarHBondContact ND2-CG 3.4Å; N88-E188 PolarHBondContact ND2-OE2 3.44Å; Y125-E188 HydrophobicContact CE1-CG 4.16Å; Y125-E188 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E188 WeakPolarHBondContact CE1-OE1 3.39Å; Y125-E188 VanDerWaalsContact CZ-OE1 3.24Å; Y125-E188 PolarHBondContact OH-OE1 2.86Å; L184-E188 WeakPolarHBondContact O-CG 3.04Å; L184-E188 PolarHBondContact O-N 3.09Å; F185-E188 PolarHBondContact O-N 2.97Å; E186-E188 VanDerWaalsContact C-N 3.34Å; E186-E188 PolarHBondContact O-N 2.99Å; E188-N190 VanDerWaalsContact C-N 3.35Å; E188-R191 PolarHBondContact O-N 3.34Å; E188-R191 IonicContact OE1-NH1 3.61Å; E188-T192 PolarHBondContact O-N 3.2Å; E188-T192 PolarHBondContact O-OG1 2.96Å
189	L	89.8	Confident	84.1	Confident	97 Å²	97	56.8 Å²	56.8	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-47	173.4	-176.9	68.5	0	0	0	110.2	F185 E186 R191 T192 V193	F185-L189 WeakPolarHBondContact O-CB 3.44Å; F185-L189 PolarHBondContact O-N 2.85Å; E186-L189 WeakPolarHBondContact O-CB 3.49Å; E186-L189 PolarHBondContact O-N 3.3Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.19Å; L189-T192 PolarHBondContact O-N 3.03Å; L189-T192 VanDerWaalsContact O-N 3.12Å; L189-V193 HydrophobicContact CD1-CG2 4.39Å; L189-V193 HydrophobicContact CG-CG2 4.36Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 2.94Å
190	N	90	Very high	82.5	Confident	56 Å²	56	57.2 Å²	57.2	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-40.9	177.4	-73.8	-19.2	0	0	0	111.9	L136 E186 G187 E188 T192 V193 A194	L136-N190 WeakPolarHBondContact O-CB 3.27Å; L136-N190 PolarHBondContact O-ND2 3.36Å; E186-N190 WeakPolarHBondContact O-CB 3.15Å; E186-N190 VanDerWaalsContact O-CG 3.28Å; E186-N190 PolarHBondContact O-N 3.11Å; E186-N190 PolarHBondContact O-ND2 3.36Å; G187-N190 PolarHBondContact O-N 2.89Å; E188-N190 VanDerWaalsContact C-N 3.35Å; N190-T192 VanDerWaalsContact C-N 3.35Å; N190-T192 PolarHBondContact O-N 3.34Å; N190-V193 PolarHBondContact O-N 3.19Å; N190-A194 WeakPolarHBondContact O-CB 3.46Å; N190-A194 PolarHBondContact O-N 2.93Å
191	R	89.7	Confident	81.3	Confident	9 Å²	9	62 Å²	62	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.6	-175.9	-177.7	172.9	-162.8	1.2	111.6	L136 G187 E188 L189 S195 S202 D234	L136-R191 HydrophobicContact CD1-CB 4.09Å; L136-R191 HydrophobicContact CD1-CG 4.48Å; L136-R191 HydrophobicContact CD2-CB 3.97Å; G187-R191 PolarHBondContact O-N 2.88Å; E188-R191 PolarHBondContact O-N 3.34Å; E188-R191 IonicContact OE1-NH1 3.61Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.19Å; R191-S195 PolarHBondContact O-N 2.93Å; R191-S195 VanDerWaalsContact O-N 3.11Å; R191-S202 PolarHBondContact NH2-O 3.41Å; R191-S202 VanDerWaalsContact NH2-O 3.08Å; R191-D234 IonicContact CZ-OD2 2.67Å; R191-D234 IonicContact NH1-OD2 3.5Å; R191-D234 PolarHBondContact NH1-OD2 2.81Å; R191-D234 IonicContact NH2-OD2 3.01Å; R191-D234 PolarHBondContact NH2-OD2 2.86Å
192	T	84.9	Confident	80.5	Confident	65 Å²	65	62.4 Å²	62.4	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-42.5	-179.9	-57.5	0	0	0	0	111.6	E188 L189 N190 S195 H196	E188-T192 PolarHBondContact O-N 3.2Å; E188-T192 PolarHBondContact O-OG1 2.96Å; L189-T192 PolarHBondContact O-N 3.03Å; L189-T192 VanDerWaalsContact O-N 3.12Å; N190-T192 VanDerWaalsContact C-N 3.35Å; N190-T192 PolarHBondContact O-N 3.34Å; T192-S195 WeakPolarHBondContact O-CB 3.41Å; T192-S195 PolarHBondContact O-N 3.21Å; T192-S195 VanDerWaalsContact O-N 3.15Å; T192-S195 PolarHBondContact O-OG 3Å; T192-H196 PolarHBondContact O-CD2 3.15Å; T192-H196 PolarHBondContact O-N 3.5Å
193	V	80.8	Confident	79.9	Confident	81 Å²	81	61.5 Å²	61.5	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176.6	172.8	0	0	0	0	111.6	L189 N190 S195 H196 S197	L189-V193 HydrophobicContact CD1-CG2 4.39Å; L189-V193 HydrophobicContact CG-CG2 4.36Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 2.94Å; N190-V193 PolarHBondContact O-N 3.19Å; V193-S195 PolarHBondContact O-N 3.41Å; V193-H196 PolarHBondContact O-N 3.34Å; V193-S197 PolarHBondContact O-N 3.46Å; V193-S197 PolarHBondContact O-OG 3.35Å
194	A	74.6	Confident	79.4	Confident	17 Å²	17	63.2 Å²	63.2	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-31.5	174.4	0	0	0	0	0	111.9	N190 S197	N190-A194 WeakPolarHBondContact O-CB 3.46Å; N190-A194 PolarHBondContact O-N 2.93Å; A194-S197 PolarHBondContact O-OG 2.87Å
195	S	72.9	Confident	79.1	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-44.3	175.8	84	0	0	0	0	112.4	R191 T192 V193 R200	R191-S195 PolarHBondContact O-N 2.93Å; R191-S195 VanDerWaalsContact O-N 3.11Å; T192-S195 WeakPolarHBondContact O-CB 3.41Å; T192-S195 PolarHBondContact O-N 3.21Å; T192-S195 VanDerWaalsContact O-N 3.15Å; T192-S195 PolarHBondContact O-OG 3Å; V193-S195 PolarHBondContact O-N 3.41Å; S195-R200 CarbonylContact C-O 3.39Å; S195-R200 VanDerWaalsContact C-O 3.25Å; S195-R200 WeakPolarHBondContact CA-O 3.11Å; S195-R200 WeakPolarHBondContact CB-O 3.37Å; S195-R200 PolarHBondContact O-N 3.3Å
196	H	71.1	Confident	79.1	Confident	151 Å²	151	56.8 Å²	56.8	70%	0.699	31%	0.305	S	S	*	.	H	α-helix	trans	-72.1	-30.9	-179.2	-70.1	-64	0	0	0	114.4	T192 V193	T192-H196 PolarHBondContact O-CD2 3.15Å; T192-H196 PolarHBondContact O-N 3.5Å; V193-H196 PolarHBondContact O-N 3.34Å
197	S	59.6	Low	79.3	Confident	82 Å²	82	53.3 Å²	53.3	57%	0.573	29%	0.289	S	S	*	.	H	α-helix	trans	-81.4	-24.4	-171.7	55.3	0	0	0	0	114.9	V193 A194	V193-S197 PolarHBondContact O-N 3.46Å; V193-S197 PolarHBondContact O-OG 3.35Å; A194-S197 PolarHBondContact O-OG 2.87Å
198	L	56.3	Low	79.5	Confident	102 Å²	102	53.3 Å²	53.3	53%	0.534	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	19.4	-169.1	-74.4	172.9	0	0	0	114.8	R200	L198-R200 HydrophobicContact CB-CG 3.76Å; L198-R200 PolarHBondContact O-N 3.49Å; L198-R200 VanDerWaalsContact O-N 3.1Å
199	N	57.6	Low	79.7	Confident	130 Å²	130	51.6 Å²	51.6	70%	0.695	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	27.4	-166.3	-66.8	-26.9	0	0	0	112.1
200	R	62.6	Low	80.1	Confident	48 Å²	48	47 Å²	47	18%	0.181	26%	0.256	C	S	.	.			trans	-79.8	124.3	175.9	-73.1	176.6	179.2	173.1	-1.9	106.3	Y129 I134 S195 L198	Y129-R200 HydrophobicContact CD1-CG 4.22Å; Y129-R200 HydrophobicContact CE1-CG 3.72Å; I134-R200 VanDerWaalsContact CD1-NH1 3.32Å; S195-R200 CarbonylContact C-O 3.39Å; S195-R200 VanDerWaalsContact C-O 3.25Å; S195-R200 WeakPolarHBondContact CA-O 3.11Å; S195-R200 WeakPolarHBondContact CB-O 3.37Å; S195-R200 PolarHBondContact O-N 3.3Å; L198-R200 HydrophobicContact CB-CG 3.76Å; L198-R200 PolarHBondContact O-N 3.49Å; L198-R200 VanDerWaalsContact O-N 3.1Å
201	F	69.2	Low	80.4	Confident	100 Å²	100	44.4 Å²	44.4	44%	0.439	24%	0.243	S	C	.	.			trans	-87.2	124.7	169.5	-60.7	-88.7	0	0	0	108.5	S203 R204 L250	F201-S203 WeakPolarHBondContact CB-OG 3.47Å; F201-S203 PolarHBondContact O-N 2.9Å; F201-R204 HydrophobicContact CB-CB 4.26Å; F201-R204 HydrophobicContact CB-CG 3.9Å; F201-R204 WeakPolarHBondContact O-CB 3.32Å; F201-R204 PolarHBondContact O-N 3.33Å; F201-L250 HydrophobicContact CE2-CD2 4.39Å
202	S	77.9	Confident	80.6	Confident	48 Å²	48	45.9 Å²	45.9	34%	0.336	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.5	175.6	57.5	0	0	0	0	113	R191 R204	R191-S202 PolarHBondContact NH2-O 3.41Å; R191-S202 VanDerWaalsContact NH2-O 3.08Å; S202-R204 VanDerWaalsContact C-N 3.26Å; S202-R204 PolarHBondContact O-N 3.09Å
203	S	81.4	Confident	81.1	Confident	39 Å²	39	43.7 Å²	43.7	27%	0.273	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.1	173.8	62.1	0	0	0	0	114.4	F201 G237	F201-S203 WeakPolarHBondContact CB-OG 3.47Å; F201-S203 PolarHBondContact O-N 2.9Å; S203-G237 PolarHBondContact O-N 2.98Å
204	R	83.6	Confident	81.7	Confident	36 Å²	36	42 Å²	42	14%	0.136	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-11.7	-175.7	-70.6	-178.9	172.6	-171.7	0.7	113.1	Y129 F201 S202 E253 I257	Y129-R204 HydrophobicContact CD2-CB 4.47Å; Y129-R204 HydrophobicContact CE2-CB 4.01Å; F201-R204 HydrophobicContact CB-CB 4.26Å; F201-R204 HydrophobicContact CB-CG 3.9Å; F201-R204 WeakPolarHBondContact O-CB 3.32Å; F201-R204 PolarHBondContact O-N 3.33Å; S202-R204 VanDerWaalsContact C-N 3.26Å; S202-R204 PolarHBondContact O-N 3.09Å; R204-E253 WeakPolarHBondContact CD-OE1 3.32Å; R204-E253 IonicContact CZ-OE1 2.66Å; R204-E253 IonicContact NE-OE1 3.16Å; R204-E253 IonicContact NH1-OE1 3.77Å; R204-E253 PolarHBondContact NH1-OE1 2.9Å; R204-E253 IonicContact NH1-OE2 3.78Å; R204-E253 PolarHBondContact NH1-OE2 3.38Å; R204-I257 HydrophobicContact CB-CD1 3.4Å; R204-I257 HydrophobicContact CB-CG1 3.87Å; R204-I257 HydrophobicContact CB-CG2 4.48Å; R204-I257 HydrophobicContact CG-CD1 3.45Å; R204-I257 VanDerWaalsContact CG-CD1 3.45Å; R204-I257 HydrophobicContact CG-CG1 4.36Å
205	G	88.9	Confident	82.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-93.3	151.2	171.5	0	0	0	0	0	112
206	H	93.7	Very high	83.4	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.3	167.1	-51.2	-79.4	0	0	0	108.8	E127 I128 D234 L235 A236 S260 L286	E127-H206 CarbonylContact C-O 3.55Å; E127-H206 VanDerWaalsContact CA-O 3.32Å; E127-H206 WeakPolarHBondContact CA-O 3.45Å; I128-H206 HydrophobicContact CB-CB 4.32Å; I128-H206 PolarHBondContact N-O 2.95Å; I128-H206 PolarHBondContact O-CD2 3.02Å; I128-H206 PolarHBondContact O-N 3.49Å; H206-D234 CarbonylContact C-O 3.45Å; H206-D234 WeakPolarHBondContact CA-O 3.46Å; H206-L235 WeakPolarHBondContact ND1-CA 3.03Å; H206-L235 WeakPolarHBondContact ND1-CD2 3.33Å; H206-A236 VanDerWaalsContact CE1-CB 3.42Å; H206-A236 WeakPolarHBondContact CE1-CB 3.46Å; H206-A236 PolarHBondContact CE1-N 2.87Å; H206-A236 PolarHBondContact ND1-N 2.75Å; H206-S260 PolarHBondContact NE2-OG 3Å; H206-L286 HydrophobicContact CB-CD1 4.09Å
207	A	95.1	Very high	84.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.8	176.8	0	0	0	0	0	109.7	Y125 I126 V233 D234	Y125-A207 HydrophobicContact CE2-CB 3.85Å; I126-A207 WeakPolarHBondContact O-CA 3.4Å; A207-V233 CarbonylContact O-C 3.53Å; A207-V233 WeakPolarHBondContact O-CA 3.33Å; A207-D234 HydrophobicContact CB-CB 4.28Å; A207-D234 PolarHBondContact N-O 3.29Å; A207-D234 PolarHBondContact O-N 3.14Å
208	I	97	Very high	85.1	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	102	-176.8	-49.5	174.5	0	0	0	109.7	Y125 I126 I128 H231 Y232 V233 L286 F289	Y125-I208 WeakPolarHBondContact CD2-O 3.34Å; I126-I208 HydrophobicContact CD1-CB 4.26Å; I126-I208 HydrophobicContact CD1-CD1 4.27Å; I126-I208 HydrophobicContact CG1-CB 3.76Å; I126-I208 HydrophobicContact CG1-CD1 4.5Å; I126-I208 HydrophobicContact CG1-CG1 4.41Å; I126-I208 PolarHBondContact N-O 3.42Å; I126-I208 PolarHBondContact O-N 2.99Å; I128-I208 HydrophobicContact CD1-CD1 3.84Å; I128-I208 HydrophobicContact CG1-CD1 4.43Å; I208-H231 HydrophobicContact CG2-CB 4.43Å; I208-Y232 WeakPolarHBondContact CA-O 3.35Å; I208-V233 HydrophobicContact CG1-CG1 4.12Å; I208-V233 HydrophobicContact CG1-CG2 4.21Å; I208-V233 HydrophobicContact CG2-CG2 3.92Å; I208-L286 HydrophobicContact CD1-CD1 4.02Å; I208-F289 HydrophobicContact CD1-CD1 3.77Å; I208-F289 HydrophobicContact CD1-CE1 4.14Å; I208-F289 HydrophobicContact CG2-CD1 4.46Å; I208-F289 HydrophobicContact CG2-CE1 3.79Å
209	F	97.3	Very high	86.1	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.1	171.6	-174.8	-97.4	0	0	0	109	I100 I104 L123 Y125 L184 I211 Y232	I100-F209 HydrophobicContact CD1-CB 4.06Å; I100-F209 HydrophobicContact CG2-CD1 3.54Å; I100-F209 HydrophobicContact CG2-CE1 3.67Å; I100-F209 HydrophobicContact CG2-CG 4.19Å; I100-F209 HydrophobicContact CG2-CZ 4.4Å; I104-F209 HydrophobicContact CD1-CE1 3.95Å; I104-F209 HydrophobicContact CD1-CZ 3.93Å; I104-F209 HydrophobicContact CG1-CE1 4.45Å; L123-F209 HydrophobicContact CB-CZ 4.33Å; L123-F209 HydrophobicContact CD1-CZ 3.98Å; L123-F209 HydrophobicContact CD2-CE1 4.14Å; L123-F209 HydrophobicContact CD2-CZ 3.83Å; L123-F209 HydrophobicContact CG-CZ 4.27Å; Y125-F209 AromaticContact CD1-CD2 3.98Å; Y125-F209 HydrophobicContact CD1-CD2 3.98Å; Y125-F209 HydrophobicContact CD2-CB 3.87Å; Y125-F209 HydrophobicContact CD2-CD2 4.17Å; Y125-F209 HydrophobicContact CE2-CB 3.96Å; Y125-F209 HydrophobicContact CG-CB 4.35Å; Y125-F209 AromaticContact CG-CD2 3.78Å; Y125-F209 HydrophobicContact CG-CD2 3.78Å; L184-F209 HydrophobicContact CB-CE2 4.35Å; L184-F209 HydrophobicContact CD1-CD2 3.94Å; L184-F209 HydrophobicContact CD1-CE2 3.96Å; L184-F209 HydrophobicContact CD1-CG 4.36Å; L184-F209 HydrophobicContact CD1-CZ 4.39Å; F209-I211 HydrophobicContact CD1-CG1 4.28Å; F209-I211 HydrophobicContact CE1-CD1 4.19Å; F209-I211 HydrophobicContact CE1-CG1 3.73Å; F209-Y232 AromaticContact CD1-CD2 3.92Å; F209-Y232 HydrophobicContact CD1-CD2 3.92Å; F209-Y232 PolarHBondContact N-O 2.92Å; F209-Y232 PolarHBondContact O-N 3.27Å
210	T	96.8	Very high	87	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.5	-177.1	-55	0	0	0	0	111	L123 S124 Y212 I230 H231	L123-T210 WeakPolarHBondContact CA-O 3.45Å; S124-T210 PolarHBondContact N-O 3.38Å; S124-T210 PolarHBondContact O-N 2.92Å; S124-T210 WeakPolarHBondContact OG-CB 3.45Å; T210-Y212 HydrophobicContact CG2-CD1 4.31Å; T210-Y212 HydrophobicContact CG2-CD2 4.06Å; T210-Y212 HydrophobicContact CG2-CE1 3.82Å; T210-Y212 HydrophobicContact CG2-CE2 3.57Å; T210-Y212 HydrophobicContact CG2-CG 4.4Å; T210-Y212 VanDerWaalsContact CG2-CZ 3.42Å; T210-I230 VanDerWaalsContact CA-O 3.31Å; T210-I230 WeakPolarHBondContact CA-O 3.38Å; T210-H231 VanDerWaalsContact CG2-CE1 3.45Å; T210-H231 WeakPolarHBondContact CG2-CE1 3.13Å; T210-H231 VanDerWaalsContact CG2-ND1 3.31Å; T210-H231 WeakPolarHBondContact CG2-ND1 3.47Å; T210-H231 PolarHBondContact OG1-ND1 3.43Å
211	I	96.4	Very high	87.3	Confident	2 Å²	2	41 Å²	41	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.9	168.7	-53.3	-175.1	0	0	0	108.3	I104 L107 V121 L123 F209 L213 K229 I230 Y232	I104-I211 HydrophobicContact CG1-CD1 4.03Å; L107-I211 HydrophobicContact CD2-CD1 4.36Å; L107-I211 HydrophobicContact CD2-CG2 3.91Å; V121-I211 HydrophobicContact CG1-CG2 4.02Å; L123-I211 HydrophobicContact CD2-CB 4.2Å; L123-I211 HydrophobicContact CD2-CD1 4.5Å; L123-I211 HydrophobicContact CD2-CG1 3.76Å; L123-I211 HydrophobicContact CD2-CG2 4.13Å; F209-I211 HydrophobicContact CD1-CG1 4.28Å; F209-I211 HydrophobicContact CE1-CD1 4.19Å; F209-I211 HydrophobicContact CE1-CG1 3.73Å; I211-L213 HydrophobicContact CG2-CD2 3.88Å; I211-L213 HydrophobicContact CG2-CG 4.2Å; I211-K229 CarbonylContact O-C 3.52Å; I211-K229 WeakPolarHBondContact O-CA 3.42Å; I211-I230 HydrophobicContact CB-CB 4.41Å; I211-I230 PolarHBondContact N-O 3.02Å; I211-I230 PolarHBondContact O-N 2.86Å; I211-Y232 HydrophobicContact CD1-CE2 3.74Å; I211-Y232 HydrophobicContact CG1-CE2 4Å
212	Y	95.2	Very high	87.4	Confident	39 Å²	39	39.5 Å²	39.5	15%	0.153	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.2	171.7	-56.1	-92.1	0	0	0	108.9	V121 K122 S124 T210 K229	V121-Y212 WeakPolarHBondContact CA-O 3.39Å; K122-Y212 HydrophobicContact CB-CD2 4.38Å; K122-Y212 PolarHBondContact N-O 2.96Å; K122-Y212 WeakPolarHBondContact O-CD2 3.47Å; K122-Y212 PolarHBondContact O-N 3.25Å; S124-Y212 WeakPolarHBondContact OG-CE2 3.14Å; S124-Y212 PolarHBondContact OG-OH 2.91Å; T210-Y212 HydrophobicContact CG2-CD1 4.31Å; T210-Y212 HydrophobicContact CG2-CD2 4.06Å; T210-Y212 HydrophobicContact CG2-CE1 3.82Å; T210-Y212 HydrophobicContact CG2-CE2 3.57Å; T210-Y212 HydrophobicContact CG2-CG 4.4Å; T210-Y212 VanDerWaalsContact CG2-CZ 3.42Å; Y212-K229 HydrophobicContact CD1-CD 4.03Å; Y212-K229 HydrophobicContact CD1-CG 3.75Å; Y212-K229 HydrophobicContact CE1-CD 3.83Å; Y212-K229 HydrophobicContact CE1-CG 4.02Å
213	L	94.8	Very high	87.3	Confident	19 Å²	19	38.3 Å²	38.3	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	175.8	-57.5	176.3	0	0	0	109.2	L107 V121 I211 C227 S228	L107-L213 HydrophobicContact CD1-CD1 3.99Å; L107-L213 HydrophobicContact CD1-CD2 3.87Å; L107-L213 HydrophobicContact CD2-CD2 3.95Å; V121-L213 HydrophobicContact CB-CD2 4.36Å; V121-L213 HydrophobicContact CG1-CD2 4.17Å; V121-L213 HydrophobicContact CG2-CD2 3.8Å; I211-L213 HydrophobicContact CG2-CD2 3.88Å; I211-L213 HydrophobicContact CG2-CG 4.2Å; L213-C227 CarbonylContact O-C 3.43Å; L213-C227 WeakPolarHBondContact O-CA 3.26Å; L213-S228 PolarHBondContact N-O 3.3Å; L213-S228 PolarHBondContact O-N 3.46Å
214	T	93.8	Very high	87.4	Confident	47 Å²	47	37 Å²	37	29%	0.288	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.5	167.9	-57	0	0	0	0	107.5	I119 T120 I225	I119-T214 WeakPolarHBondContact CA-O 3.24Å; T120-T214 PolarHBondContact N-O 3.47Å; T120-T214 PolarHBondContact O-N 3.33Å; T214-I225 HydrophobicContact CG2-CG2 3.53Å
215	I	93.4	Very high	87.6	Confident	43 Å²	43	37 Å²	37	22%	0.221	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.8	-176.4	-55.4	169.1	0	0	0	107.3	L117 S118 I119 K226	L117-I215 HydrophobicContact CB-CG2 4.3Å; L117-I215 HydrophobicContact CD1-CG2 4.12Å; S118-I215 WeakPolarHBondContact O-CA 3.32Å; I119-I215 HydrophobicContact CG1-CG1 4.25Å; I119-I215 HydrophobicContact CG1-CG2 4.28Å; I119-I215 HydrophobicContact CG2-CG1 4.28Å; I215-K226 HydrophobicContact CB-CB 4.24Å; I215-K226 PolarHBondContact N-O 3.4Å; I215-K226 PolarHBondContact O-N 3.25Å
216	T	89.9	Confident	87.7	Confident	43 Å²	43	41.9 Å²	41.9	26%	0.264	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.3	173.8	53.5	0	0	0	0	109.2	S118 I225	S118-T216 WeakPolarHBondContact CB-OG1 3.2Å; S118-T216 PolarHBondContact N-O 3.37Å; S118-T216 PolarHBondContact O-N 3.17Å; S118-T216 PolarHBondContact O-OG1 3Å; S118-T216 PolarHBondContact OG-OG1 3.19Å; T216-I225 HydrophobicContact CG2-CB 4.3Å; T216-I225 HydrophobicContact CG2-CD1 4.41Å; T216-I225 HydrophobicContact CG2-CG1 3.92Å; T216-I225 HydrophobicContact CG2-CG2 3.94Å
217	D	87.1	Confident	87.6	Confident	61 Å²	61	43.3 Å²	43.3	33%	0.326	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.1	173.2	-167.4	-17.3	0	0	0	108.6	L117 V219 D220	L117-D217 HydrophobicContact CD2-CB 3.93Å; D217-V219 PolarHBondContact O-N 3.22Å; D217-V219 WeakPolarHBondContact OD1-CB 3.42Å; D217-V219 PolarHBondContact OD1-N 2.93Å; D217-D220 HydrophobicContact CB-CB 3.96Å
218	S	78.4	Confident	87.4	Confident	101 Å²	101	45.6 Å²	45.6	71%	0.706	27%	0.272	S	S	*	.	S	Bend	trans	-72.4	-21.5	177.8	59.9	0	0	0	0	112.6	T116	T116-S218 PolarHBondContact O-OG 2.91Å
219	V	78	Confident	87.1	Confident	116 Å²	116	48.8 Å²	48.8	70%	0.703	29%	0.285	S	S	*	.	S	Bend	trans	-87.5	-23.6	-178	-171.6	0	0	0	0	111.5	D217 S221	D217-V219 PolarHBondContact O-N 3.22Å; D217-V219 WeakPolarHBondContact OD1-CB 3.42Å; D217-V219 PolarHBondContact OD1-N 2.93Å; V219-S221 PolarHBondContact O-N 3.36Å; V219-S221 VanDerWaalsContact O-N 3.09Å
220	D	75.8	Confident	87	Confident	47 Å²	47	50.2 Å²	50.2	25%	0.251	29%	0.293	S	S	.	.			trans	-73.9	105.5	-179.3	-174.3	13.6	0	0	0	111.7	D217 N222 G223 C224	D217-D220 HydrophobicContact CB-CB 3.96Å; D220-N222 PolarHBondContact O-N 3.46Å; D220-N222 WeakPolarHBondContact OD1-CB 3.48Å; D220-N222 PolarHBondContact OD1-N 2.85Å; D220-N222 PolarHBondContact OD1-ND2 3.14Å; D220-N222 VanDerWaalsContact OD1-ND2 3.15Å; D220-G223 PolarHBondContact O-N 3.34Å; D220-C224 WeakPolarHBondContact OD2-CB 3.14Å
221	S	69.7	Low	86.9	Confident	115 Å²	115	51 Å²	51	80%	0.804	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.1	173.4	63.7	0	0	0	0	114.5	V219 G223	V219-S221 PolarHBondContact O-N 3.36Å; V219-S221 VanDerWaalsContact O-N 3.09Å; S221-G223 VanDerWaalsContact C-N 3.3Å
222	N	71.2	Confident	87	Confident	70 Å²	70	51.2 Å²	51.2	37%	0.374	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.2	179.2	-61.8	-51.2	0	0	0	114	D220 C224 H339 K347	D220-N222 PolarHBondContact O-N 3.46Å; D220-N222 WeakPolarHBondContact OD1-CB 3.48Å; D220-N222 PolarHBondContact OD1-N 2.85Å; D220-N222 PolarHBondContact OD1-ND2 3.14Å; D220-N222 VanDerWaalsContact OD1-ND2 3.15Å; N222-C224 PolarHBondContact O-N 3.13Å; N222-H339 PolarHBondContact O-ND1 3.46Å; N222-K347 PolarHBondContact OD1-NZ 3.11Å
223	G	74.8	Confident	87	Confident	22 Å²	22	49.3 Å²	49.3	23%	0.227	29%	0.29	C	S	.	.			trans	57.4	38.7	-176.4	0	0	0	0	0	112.2	D220 S221 I225 D340	D220-G223 PolarHBondContact O-N 3.34Å; S221-G223 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 3.32Å; G223-D340 PolarHBondContact O-N 2.89Å; G223-D340 VanDerWaalsContact O-N 3.13Å
224	C	84.2	Confident	87	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.7	179.3	-172.6	0	0	0	0	110.3	D220 N222	D220-C224 WeakPolarHBondContact OD2-CB 3.14Å; N222-C224 PolarHBondContact O-N 3.13Å
225	I	88.8	Confident	87.1	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.19	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.6	174.5	-51.3	-174.5	0	0	0	107.5	T214 T216 G223 M338 D340	T214-I225 HydrophobicContact CG2-CG2 3.53Å; T216-I225 HydrophobicContact CG2-CB 4.3Å; T216-I225 HydrophobicContact CG2-CD1 4.41Å; T216-I225 HydrophobicContact CG2-CG1 3.92Å; T216-I225 HydrophobicContact CG2-CG2 3.94Å; G223-I225 PolarHBondContact O-N 3.32Å; I225-M338 CarbonylContact C-O 3.25Å; I225-M338 WeakPolarHBondContact CA-O 3.17Å; I225-M338 HydrophobicContact CB-CB 4.46Å; I225-M338 WeakPolarHBondContact CB-O 3.49Å; I225-M338 PolarHBondContact N-O 3.45Å; I225-M338 PolarHBondContact O-N 3.27Å; I225-D340 HydrophobicContact CD1-CB 3.9Å; I225-D340 HydrophobicContact CG1-CB 4.36Å
226	K	90.9	Very high	87	Confident	102 Å²	102	44.5 Å²	44.5	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126	173.7	-65.8	172.9	-174.9	168.7	0	109.1	I215 Q337	I215-K226 HydrophobicContact CB-CB 4.24Å; I215-K226 PolarHBondContact N-O 3.4Å; I215-K226 PolarHBondContact O-N 3.25Å; K226-Q337 HydrophobicContact CG-CG 4.37Å
227	C	90.7	Very high	87	Confident	32 Å²	32	42.6 Å²	42.6	22%	0.216	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.2	-178.4	-68.9	0	0	0	0	110.1	L213 N336	L213-C227 CarbonylContact O-C 3.43Å; L213-C227 WeakPolarHBondContact O-CA 3.26Å; C227-N336 PolarHBondContact N-O 2.86Å; C227-N336 WeakPolarHBondContact O-CB 3.37Å
228	S	91.3	Very high	87	Confident	50 Å²	50	40.1 Å²	40.1	35%	0.35	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.6	176.7	-173.8	0	0	0	0	111.5	L213	L213-S228 PolarHBondContact N-O 3.3Å; L213-S228 PolarHBondContact O-N 3.46Å
229	K	91.6	Very high	87.2	Confident	66 Å²	66	37.3 Å²	37.3	29%	0.287	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.7	173.1	-59.6	-177.5	-176.5	171.5	0	107.7	V164 I211 Y212	V164-K229 PolarHBondContact O-NZ 3.21Å; I211-K229 CarbonylContact O-C 3.52Å; I211-K229 WeakPolarHBondContact O-CA 3.42Å; Y212-K229 HydrophobicContact CD1-CD 4.03Å; Y212-K229 HydrophobicContact CD1-CG 3.75Å; Y212-K229 HydrophobicContact CE1-CD 3.83Å; Y212-K229 HydrophobicContact CE1-CG 4.02Å
230	I	94.1	Very high	86.6	Confident	31 Å²	31	35.8 Å²	35.8	16%	0.159	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.9	173	-52.9	174	0	0	0	107	T210 I211 Y232	T210-I230 VanDerWaalsContact CA-O 3.31Å; T210-I230 WeakPolarHBondContact CA-O 3.38Å; I211-I230 HydrophobicContact CB-CB 4.41Å; I211-I230 PolarHBondContact N-O 3.02Å; I211-I230 PolarHBondContact O-N 2.86Å; I230-Y232 HydrophobicContact CB-CE2 4.29Å; I230-Y232 HydrophobicContact CG2-CD2 4.27Å; I230-Y232 HydrophobicContact CG2-CE1 4.12Å; I230-Y232 HydrophobicContact CG2-CE2 3.62Å
231	H	95.6	Very high	86	Confident	16 Å²	16	36.7 Å²	36.7	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.4	175.7	-58.4	-68.2	0	0	0	109.9	T72 I73 I208 T210 V233 F289 S293	T72-H231 CarbonylContact C-O 3.59Å; T72-H231 WeakPolarHBondContact CA-O 3.3Å; T72-H231 HydrophobicContact CG2-CB 3.85Å; T72-H231 PolarHBondContact OG1-N 3.34Å; I73-H231 PolarHBondContact N-O 3.43Å; I208-H231 HydrophobicContact CG2-CB 4.43Å; T210-H231 VanDerWaalsContact CG2-CE1 3.45Å; T210-H231 WeakPolarHBondContact CG2-CE1 3.13Å; T210-H231 VanDerWaalsContact CG2-ND1 3.31Å; T210-H231 WeakPolarHBondContact CG2-ND1 3.47Å; T210-H231 PolarHBondContact OG1-ND1 3.43Å; H231-V233 HydrophobicContact CB-CG2 4.14Å; H231-F289 AromaticContact CE1-CE1 3.94Å; H231-F289 AromaticContact CE1-CZ 3.89Å; H231-F289 AromaticContact ND1-CE1 3.9Å; H231-S293 PolarHBondContact CD2-OG 3.08Å
232	Y	97.2	Very high	85.2	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	105	169.8	-63.2	-75.8	0	0	0	107.8	I73 M87 I99 I100 S103 I208 F209 I211 I230	I73-Y232 HydrophobicContact CB-CD1 4.45Å; I73-Y232 HydrophobicContact CD1-CD1 4.26Å; I73-Y232 HydrophobicContact CD1-CE1 3.99Å; M87-Y232 VanDerWaalsContact CE-CB 3.46Å; M87-Y232 HydrophobicContact CE-CD1 4.19Å; M87-Y232 HydrophobicContact CE-CG 4.34Å; I99-Y232 HydrophobicContact CG2-CD1 4.12Å; I99-Y232 HydrophobicContact CG2-CE1 3.76Å; I100-Y232 HydrophobicContact CD1-CG 4.29Å; I100-Y232 HydrophobicContact CG1-CD1 3.99Å; I100-Y232 HydrophobicContact CG1-CD2 4.18Å; I100-Y232 HydrophobicContact CG1-CG 3.68Å; S103-Y232 WeakPolarHBondContact CB-OH 3.19Å; S103-Y232 PolarHBondContact OG-OH 3.45Å; I208-Y232 WeakPolarHBondContact CA-O 3.35Å; F209-Y232 AromaticContact CD1-CD2 3.92Å; F209-Y232 HydrophobicContact CD1-CD2 3.92Å; F209-Y232 PolarHBondContact N-O 2.92Å; F209-Y232 PolarHBondContact O-N 3.27Å; I211-Y232 HydrophobicContact CD1-CE2 3.74Å; I211-Y232 HydrophobicContact CG1-CE2 4Å; I230-Y232 HydrophobicContact CB-CE2 4.29Å; I230-Y232 HydrophobicContact CG2-CD2 4.27Å; I230-Y232 HydrophobicContact CG2-CE1 4.12Å; I230-Y232 HydrophobicContact CG2-CE2 3.62Å
233	V	96.5	Very high	84	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.2	-172.2	-177.6	0	0	0	0	110.3	I73 L74 C75 A207 I208 H231 L235 L290	I73-V233 PolarHBondContact O-N 3.14Å; L74-V233 HydrophobicContact CB-CB 4.47Å; L74-V233 HydrophobicContact CD1-CG2 4.41Å; L74-V233 HydrophobicContact CG-CB 4.01Å; L74-V233 HydrophobicContact CG-CG1 4.36Å; L74-V233 HydrophobicContact CG-CG2 4.21Å; C75-V233 PolarHBondContact N-O 3.25Å; A207-V233 CarbonylContact O-C 3.53Å; A207-V233 WeakPolarHBondContact O-CA 3.33Å; I208-V233 HydrophobicContact CG1-CG1 4.12Å; I208-V233 HydrophobicContact CG1-CG2 4.21Å; I208-V233 HydrophobicContact CG2-CG2 3.92Å; H231-V233 HydrophobicContact CB-CG2 4.14Å; V233-L235 HydrophobicContact CG1-CD2 3.43Å; V233-L235 VanDerWaalsContact CG1-CD2 3.43Å; V233-L235 HydrophobicContact CG1-CG 3.83Å; V233-L290 HydrophobicContact CG1-CD1 4.25Å; V233-L290 HydrophobicContact CG2-CD1 4.18Å; V233-L290 HydrophobicContact CG2-CD2 3.87Å
234	D	95.2	Very high	82.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	98.6	165.7	-178.9	24.6	0	0	0	107.8	K83 T84 M87 R191 H206 A207	K83-D234 WeakPolarHBondContact CB-OD1 3.47Å; T84-D234 WeakPolarHBondContact CB-OD2 3.37Å; T84-D234 PolarHBondContact N-OD1 3.24Å; T84-D234 PolarHBondContact OG1-OD2 3.33Å; M87-D234 HydrophobicContact CG-CB 4.25Å; R191-D234 IonicContact CZ-OD2 2.67Å; R191-D234 IonicContact NH1-OD2 3.5Å; R191-D234 PolarHBondContact NH1-OD2 2.81Å; R191-D234 IonicContact NH2-OD2 3.01Å; R191-D234 PolarHBondContact NH2-OD2 2.86Å; H206-D234 CarbonylContact C-O 3.45Å; H206-D234 WeakPolarHBondContact CA-O 3.46Å; A207-D234 HydrophobicContact CB-CB 4.28Å; A207-D234 PolarHBondContact N-O 3.29Å; A207-D234 PolarHBondContact O-N 3.14Å
235	L	94.8	Very high	81.1	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.4	157.2	-178.6	-63.7	172.9	0	0	0	111.1	C75 Y76 K83 H206 V233 L261 L264 L286	C75-L235 VanDerWaalsContact O-CB 3.24Å; C75-L235 WeakPolarHBondContact O-CB 3.37Å; C75-L235 WeakPolarHBondContact O-CG 3.47Å; C75-L235 PolarHBondContact O-N 3.25Å; Y76-L235 HydrophobicContact CD2-CD1 3.77Å; Y76-L235 HydrophobicContact CG-CD1 4.36Å; K83-L235 WeakPolarHBondContact CE-O 3.44Å; H206-L235 WeakPolarHBondContact ND1-CA 3.03Å; H206-L235 WeakPolarHBondContact ND1-CD2 3.33Å; V233-L235 HydrophobicContact CG1-CD2 3.43Å; V233-L235 VanDerWaalsContact CG1-CD2 3.43Å; V233-L235 HydrophobicContact CG1-CG 3.83Å; L235-L261 HydrophobicContact CB-CD2 4.42Å; L235-L264 HydrophobicContact CD1-CD2 3.8Å; L235-L264 HydrophobicContact CD2-CD2 4.4Å; L235-L286 HydrophobicContact CD2-CD1 3.96Å; L235-L286 HydrophobicContact CD2-CD2 3.81Å; L235-L286 HydrophobicContact CD2-CG 4.46Å
236	A	91.5	Very high	79.4	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.1	160.6	169.7	0	0	0	0	0	111.7	H206 S238 I257 L261	H206-A236 VanDerWaalsContact CE1-CB 3.42Å; H206-A236 WeakPolarHBondContact CE1-CB 3.46Å; H206-A236 PolarHBondContact CE1-N 2.87Å; H206-A236 PolarHBondContact ND1-N 2.75Å; A236-S238 PolarHBondContact O-N 3.46Å; A236-I257 HydrophobicContact CB-CG2 3.88Å; A236-L261 HydrophobicContact CB-CD1 4.48Å
237	G	90.1	Very high	78	Confident	4 Å²	4	51.6 Å²	51.6	4%	0.041	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-56	133.9	170.5	0	0	0	0	0	112.8	S203 D239 L261	S203-G237 PolarHBondContact O-N 2.98Å; G237-D239 VanDerWaalsContact C-N 3.33Å; G237-L261 WeakPolarHBondContact O-CD1 3.44Å
238	S	87.6	Confident	76.9	Confident	8 Å²	8	56.4 Å²	56.4	6%	0.056	31%	0.314	C	S	.	.			trans	-84.9	-3.6	177.5	65.1	0	0	0	0	114.5	Y76 G77 Q78 A236	Y76-S238 WeakPolarHBondContact OH-CB 3.42Å; G77-S238 PolarHBondContact O-N 3.29Å; Q78-S238 PolarHBondContact N-OG 3.18Å; Q78-S238 VanDerWaalsContact N-OG 3.11Å; A236-S238 PolarHBondContact O-N 3.46Å
239	D	81.1	Confident	75.6	Confident	43 Å²	43	62.3 Å²	62.3	23%	0.23	33%	0.334	C	S	.	.			trans	-69.5	136.6	-175.9	46.4	-61.4	0	0	0	112.6	Q78 I79 G237 E315	Q78-D239 HydrophobicContact CB-CB 4.24Å; I79-D239 WeakPolarHBondContact CG1-OD1 3.25Å; I79-D239 PolarHBondContact N-OD1 3.31Å; G237-D239 VanDerWaalsContact C-N 3.33Å; D239-E315 WeakPolarHBondContact CA-OE2 3.41Å; D239-E315 HydrophobicContact CB-CG 4.2Å
240	N	66.5	Low	74.4	Confident	83 Å²	83	62 Å²	62	44%	0.444	34%	0.335	S	S	.	.			trans	-85.8	127	177	-69.9	-63.8	0	0	0	110.3	K242	N240-K242 VanDerWaalsContact C-N 3.28Å; N240-K242 HydrophobicContact CB-CG 4.34Å; N240-K242 PolarHBondContact O-N 3.29Å
241	L	62	Low	72.9	Confident	67 Å²	67	67.1 Å²	67.1	35%	0.351	36%	0.356	S	S	.	.			trans	-68	88.8	166.3	-64.2	177.9	0	0	0	109.2	G243 I246 A254	L241-G243 PolarHBondContact O-N 3.31Å; L241-I246 HydrophobicContact CB-CD1 4.07Å; L241-I246 HydrophobicContact CD1-CD1 3.75Å; L241-I246 HydrophobicContact CG-CD1 4.42Å; L241-A254 HydrophobicContact CD1-CB 3.44Å; L241-A254 VanDerWaalsContact CD1-CB 3.44Å; L241-A254 HydrophobicContact CG-CB 4.41Å
242	K	53.7	Low	71.6	Confident	154 Å²	154	73 Å²	73	67%	0.67	38%	0.381	S	S	*	.			trans	-82	112.6	171.7	-66.1	-177.3	-176.4	176.9	0	109	N240 T244	N240-K242 VanDerWaalsContact C-N 3.28Å; N240-K242 HydrophobicContact CB-CG 4.34Å; N240-K242 PolarHBondContact O-N 3.29Å; K242-T244 PolarHBondContact O-N 3.03Å
243	G	46.9	Very low	69.9	Low	81 Å²	81	73.9 Å²	73.9	84%	0.835	39%	0.386	S	S	*	.	S	Bend	trans	74.2	16.2	152.7	0	0	0	0	0	118.4	L241	L241-G243 PolarHBondContact O-N 3.31Å
244	T	48.6	Very low	68.3	Low	89 Å²	89	74.4 Å²	74.4	55%	0.546	39%	0.39	S	S	.	.			trans	-77.4	136.2	168.3	33.4	0	0	0	0	109.3	K242 I246	K242-T244 PolarHBondContact O-N 3.03Å; T244-I246 WeakPolarHBondContact O-CB 3.49Å; T244-I246 VanDerWaalsContact O-CG1 3.28Å; T244-I246 WeakPolarHBondContact O-CG1 3.36Å; T244-I246 PolarHBondContact O-N 3.29Å; T244-I246 WeakPolarHBondContact OG1-CD1 3.31Å; T244-I246 WeakPolarHBondContact OG1-CG1 3.45Å
245	Q	49.3	Very low	67	Low	204 Å²	204	76.7 Å²	76.7	95%	0.953	41%	0.409	S	S	*	.			trans	-61.8	73.1	172.1	-70.7	-87.4	20.7	0	0	109.3
246	I	52.3	Low	65.6	Low	44 Å²	44	80.7 Å²	80.7	23%	0.226	43%	0.425	C	S	.	.			trans	-94.3	129.9	-167	-74.1	165.6	0	0	0	109.5	L241 T244 L250 F251	L241-I246 HydrophobicContact CB-CD1 4.07Å; L241-I246 HydrophobicContact CD1-CD1 3.75Å; L241-I246 HydrophobicContact CG-CD1 4.42Å; T244-I246 WeakPolarHBondContact O-CB 3.49Å; T244-I246 VanDerWaalsContact O-CG1 3.28Å; T244-I246 WeakPolarHBondContact O-CG1 3.36Å; T244-I246 PolarHBondContact O-N 3.29Å; T244-I246 WeakPolarHBondContact OG1-CD1 3.31Å; T244-I246 WeakPolarHBondContact OG1-CG1 3.45Å; I246-L250 HydrophobicContact CG2-CB 3.04Å; I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 HydrophobicContact CG2-CG 4.17Å; I246-F251 HydrophobicContact CG2-CB 4.39Å
247	T	62.4	Low	64.1	Low	98 Å²	98	81.1 Å²	81.1	60%	0.601	43%	0.427	S	S	*	.			trans	-52.6	142.8	170.8	-45.1	0	0	0	0	112.2	K249 L250 F251	T247-K249 PolarHBondContact O-N 3.21Å; T247-L250 WeakPolarHBondContact O-CB 3.32Å; T247-L250 PolarHBondContact O-N 2.85Å; T247-F251 PolarHBondContact O-N 2.98Å; T247-F251 VanDerWaalsContact O-N 3.11Å
248	D	66.1	Low	63.2	Low	132 Å²	132	83 Å²	83	71%	0.706	44%	0.436	S	S	*	.	H	α-helix	trans	-44.3	-36.4	-178.2	-66.7	-23.3	0	0	0	115.6	F251 K252	D248-F251 PolarHBondContact O-N 3.11Å; D248-K252 WeakPolarHBondContact O-CG 3.5Å; D248-K252 PolarHBondContact O-N 2.9Å
249	K	64.7	Low	63	Low	175 Å²	175	87.1 Å²	87.1	76%	0.761	45%	0.451	S	S	*	.	H	α-helix	trans	-65.1	-47.1	177.9	-71.4	-174.4	178.8	179.2	0	112.5	T247 F251 K252 E253	T247-K249 PolarHBondContact O-N 3.21Å; K249-F251 VanDerWaalsContact C-N 3.3Å; K249-K252 PolarHBondContact O-N 3.01Å; K249-E253 WeakPolarHBondContact O-CB 3.42Å; K249-E253 PolarHBondContact O-N 3.15Å
250	L	65.3	Low	63.5	Low	59 Å²	59	85.3 Å²	85.3	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-69.4	-30.8	178.1	-79.2	163.2	0	0	0	110.9	F201 I246 T247 E253 A254	F201-L250 HydrophobicContact CE2-CD2 4.39Å; I246-L250 HydrophobicContact CG2-CB 3.04Å; I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 HydrophobicContact CG2-CG 4.17Å; T247-L250 WeakPolarHBondContact O-CB 3.32Å; T247-L250 PolarHBondContact O-N 2.85Å; L250-E253 PolarHBondContact O-N 3.45Å; L250-A254 VanDerWaalsContact O-CB 3.26Å; L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.42Å
251	F	64	Low	64.6	Low	139 Å²	139	81.6 Å²	81.6	61%	0.61	42%	0.421	S	S	*	.	H	α-helix	trans	-66.2	-46.5	173.3	-173.8	-93.9	0	0	0	111.6	I246 T247 D248 K249 E253 A254 A255	I246-F251 HydrophobicContact CG2-CB 4.39Å; T247-F251 PolarHBondContact O-N 2.98Å; T247-F251 VanDerWaalsContact O-N 3.11Å; D248-F251 PolarHBondContact O-N 3.11Å; K249-F251 VanDerWaalsContact C-N 3.3Å; F251-E253 VanDerWaalsContact C-N 3.34Å; F251-E253 PolarHBondContact O-N 3.42Å; F251-A254 PolarHBondContact O-N 2.84Å; F251-A255 WeakPolarHBondContact O-CB 3.46Å; F251-A255 PolarHBondContact O-N 3.05Å
252	K	67.1	Low	66	Low	139 Å²	139	80.3 Å²	80.3	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-59.6	-45.2	173.4	-73.9	-179.8	-177.8	179.6	0	111.4	D248 K249 A255 Y256	D248-K252 WeakPolarHBondContact O-CG 3.5Å; D248-K252 PolarHBondContact O-N 2.9Å; K249-K252 PolarHBondContact O-N 3.01Å; K252-A255 WeakPolarHBondContact O-CB 3.46Å; K252-A255 PolarHBondContact O-N 3.17Å; K252-Y256 HydrophobicContact CB-CE2 4.49Å; K252-Y256 WeakPolarHBondContact O-CD2 3.33Å; K252-Y256 PolarHBondContact O-N 3.28Å; K252-Y256 VanDerWaalsContact O-N 3.08Å
253	E	62.8	Low	67.8	Low	25 Å²	25	75 Å²	75	12%	0.117	40%	0.397	C	S	.	.	H	α-helix	trans	-59.1	-51.2	178	-167.9	-165.8	141.5	0	0	111.7	Y129 R204 K249 L250 F251 A255 Y256 I257	Y129-E253 VanDerWaalsContact OH-CG 3.28Å; Y129-E253 WeakPolarHBondContact OH-CG 3.37Å; Y129-E253 PolarHBondContact OH-OE1 3.44Å; R204-E253 WeakPolarHBondContact CD-OE1 3.32Å; R204-E253 IonicContact CZ-OE1 2.66Å; R204-E253 IonicContact NE-OE1 3.16Å; R204-E253 IonicContact NH1-OE1 3.77Å; R204-E253 PolarHBondContact NH1-OE1 2.9Å; R204-E253 IonicContact NH1-OE2 3.78Å; R204-E253 PolarHBondContact NH1-OE2 3.38Å; K249-E253 WeakPolarHBondContact O-CB 3.42Å; K249-E253 PolarHBondContact O-N 3.15Å; L250-E253 PolarHBondContact O-N 3.45Å; F251-E253 VanDerWaalsContact C-N 3.34Å; F251-E253 PolarHBondContact O-N 3.42Å; E253-A255 VanDerWaalsContact C-N 3.3Å; E253-A255 PolarHBondContact O-N 3.42Å; E253-Y256 PolarHBondContact O-N 2.71Å; E253-I257 HydrophobicContact CG-CD1 4.01Å; E253-I257 VanDerWaalsContact O-CD1 3.25Å; E253-I257 WeakPolarHBondContact O-CD1 3.49Å; E253-I257 WeakPolarHBondContact O-CG1 3.44Å; E253-I257 PolarHBondContact O-N 3.27Å; E253-I257 VanDerWaalsContact O-N 3.09Å
254	A	62.5	Low	70.1	Confident	11 Å²	11	71.1 Å²	71.1	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-41.6	176.4	0	0	0	0	0	112.5	L241 L250 F251 Y256 I257 N258	L241-A254 HydrophobicContact CD1-CB 3.44Å; L241-A254 VanDerWaalsContact CD1-CB 3.44Å; L241-A254 HydrophobicContact CG-CB 4.41Å; L250-A254 VanDerWaalsContact O-CB 3.26Å; L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.42Å; F251-A254 PolarHBondContact O-N 2.84Å; A254-Y256 VanDerWaalsContact C-N 3.29Å; A254-Y256 PolarHBondContact O-N 2.87Å; A254-I257 PolarHBondContact O-N 3.16Å; A254-N258 WeakPolarHBondContact O-CB 3.37Å; A254-N258 PolarHBondContact O-N 3.28Å; A254-N258 VanDerWaalsContact O-N 3.16Å
255	A	67.1	Low	72.2	Confident	52 Å²	52	69.6 Å²	69.6	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-38.4	175.6	0	0	0	0	0	112	F251 K252 E253 R259	F251-A255 WeakPolarHBondContact O-CB 3.46Å; F251-A255 PolarHBondContact O-N 3.05Å; K252-A255 WeakPolarHBondContact O-CB 3.46Å; K252-A255 PolarHBondContact O-N 3.17Å; E253-A255 VanDerWaalsContact C-N 3.3Å; E253-A255 PolarHBondContact O-N 3.42Å; A255-R259 VanDerWaalsContact O-CB 3.24Å; A255-R259 WeakPolarHBondContact O-CB 3.37Å; A255-R259 PolarHBondContact O-N 2.78Å
256	Y	65.3	Low	74.2	Confident	87 Å²	87	64.2 Å²	64.2	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-75.8	-34.6	-179.4	-76	-61.2	0	0	0	114.4	N130 K252 E253 A254 R259 S260	N130-Y256 WeakPolarHBondContact OD1-CB 3.47Å; N130-Y256 WeakPolarHBondContact OD1-CD2 3.32Å; K252-Y256 HydrophobicContact CB-CE2 4.49Å; K252-Y256 WeakPolarHBondContact O-CD2 3.33Å; K252-Y256 PolarHBondContact O-N 3.28Å; K252-Y256 VanDerWaalsContact O-N 3.08Å; E253-Y256 PolarHBondContact O-N 2.71Å; A254-Y256 VanDerWaalsContact C-N 3.29Å; A254-Y256 PolarHBondContact O-N 2.87Å; Y256-R259 VanDerWaalsContact O-CB 3.32Å; Y256-R259 WeakPolarHBondContact O-CB 3.21Å; Y256-R259 PolarHBondContact O-N 2.73Å; Y256-S260 PolarHBondContact O-N 3.01Å
257	I	61.6	Low	76.2	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-50.1	176.4	-63.2	146.9	0	0	0	109.3	R204 A236 E253 A254 R259 S260 L261	R204-I257 HydrophobicContact CB-CD1 3.4Å; R204-I257 HydrophobicContact CB-CG1 3.87Å; R204-I257 HydrophobicContact CB-CG2 4.48Å; R204-I257 HydrophobicContact CG-CD1 3.45Å; R204-I257 VanDerWaalsContact CG-CD1 3.45Å; R204-I257 HydrophobicContact CG-CG1 4.36Å; A236-I257 HydrophobicContact CB-CG2 3.88Å; E253-I257 HydrophobicContact CG-CD1 4.01Å; E253-I257 VanDerWaalsContact O-CD1 3.25Å; E253-I257 WeakPolarHBondContact O-CD1 3.49Å; E253-I257 WeakPolarHBondContact O-CG1 3.44Å; E253-I257 PolarHBondContact O-N 3.27Å; E253-I257 VanDerWaalsContact O-N 3.09Å; A254-I257 PolarHBondContact O-N 3.16Å; I257-R259 PolarHBondContact O-N 2.84Å; I257-S260 PolarHBondContact O-N 2.95Å; I257-S260 PolarHBondContact O-OG 3.16Å; I257-L261 PolarHBondContact O-N 2.84Å
258	N	70.6	Confident	77.6	Confident	44 Å²	44	57.8 Å²	57.8	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-28.3	175.3	-68.3	-11.1	0	0	0	111.5	A254 A262	A254-N258 WeakPolarHBondContact O-CB 3.37Å; A254-N258 PolarHBondContact O-N 3.28Å; A254-N258 VanDerWaalsContact O-N 3.16Å; N258-A262 WeakPolarHBondContact O-CB 3.25Å; N258-A262 PolarHBondContact O-N 2.85Å
259	R	84	Confident	78.8	Confident	95 Å²	95	54.9 Å²	54.9	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-50.3	174.9	-177	173.3	80.5	168.4	-9.8	112.6	A255 Y256 I257 L261 A262 F263	A255-R259 VanDerWaalsContact O-CB 3.24Å; A255-R259 WeakPolarHBondContact O-CB 3.37Å; A255-R259 PolarHBondContact O-N 2.78Å; Y256-R259 VanDerWaalsContact O-CB 3.32Å; Y256-R259 WeakPolarHBondContact O-CB 3.21Å; Y256-R259 PolarHBondContact O-N 2.73Å; I257-R259 PolarHBondContact O-N 2.84Å; R259-L261 PolarHBondContact O-N 2.98Å; R259-A262 PolarHBondContact O-N 3.25Å; R259-F263 HydrophobicContact CG-CD2 3.58Å; R259-F263 HydrophobicContact CG-CE2 3.23Å; R259-F263 HydrophobicContact CG-CZ 4.16Å; R259-F263 WeakPolarHBondContact O-CD2 3.5Å; R259-F263 WeakPolarHBondContact O-CG 3.24Å; R259-F263 PolarHBondContact O-N 3.09Å
260	S	90.7	Very high	80.2	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-40	-178.9	61.8	0	0	0	0	112.6	E131 H206 Y256 I257 L264	E131-S260 WeakPolarHBondContact OE1-CB 3.41Å; H206-S260 PolarHBondContact NE2-OG 3Å; Y256-S260 PolarHBondContact O-N 3.01Å; I257-S260 PolarHBondContact O-N 2.95Å; I257-S260 PolarHBondContact O-OG 3.16Å; S260-L264 PolarHBondContact O-N 2.8Å
261	L	90.7	Very high	81.5	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-71.3	-39.6	174.6	-70	179.8	0	0	0	112.3	Y76 L235 A236 G237 I257 R259 F263 L264 E265	Y76-L261 HydrophobicContact CD2-CD2 4.37Å; Y76-L261 HydrophobicContact CE2-CD2 4.09Å; L235-L261 HydrophobicContact CB-CD2 4.42Å; A236-L261 HydrophobicContact CB-CD1 4.48Å; G237-L261 WeakPolarHBondContact O-CD1 3.44Å; I257-L261 PolarHBondContact O-N 2.84Å; R259-L261 PolarHBondContact O-N 2.98Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.44Å; L261-L264 HydrophobicContact CD2-CD2 4.23Å; L261-L264 WeakPolarHBondContact O-CA 3.15Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 2.9Å; L261-L264 VanDerWaalsContact O-N 3.13Å; L261-E265 WeakPolarHBondContact O-CG 3.24Å; L261-E265 PolarHBondContact O-N 3.06Å
262	A	89.9	Confident	82.6	Confident	41 Å²	41	40 Å²	40	34%	0.339	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-40.1	175.6	0	0	0	0	0	111.8	N258 R259 E265 Q266	N258-A262 WeakPolarHBondContact O-CB 3.25Å; N258-A262 PolarHBondContact O-N 2.85Å; R259-A262 PolarHBondContact O-N 3.25Å; A262-E265 WeakPolarHBondContact O-CB 3.31Å; A262-E265 PolarHBondContact O-N 2.88Å; A262-Q266 WeakPolarHBondContact O-CG 3.38Å; A262-Q266 PolarHBondContact O-N 3.47Å
263	F	93	Very high	83.7	Confident	41 Å²	41	35.9 Å²	35.9	18%	0.18	19%	0.188	C	C	.	.	H	α-helix	trans	-69.1	-33.4	173.7	-71.9	-48.3	0	0	0	112.7	R259 L261 Q266 T267 Q283	R259-F263 HydrophobicContact CG-CD2 3.58Å; R259-F263 HydrophobicContact CG-CE2 3.23Å; R259-F263 HydrophobicContact CG-CZ 4.16Å; R259-F263 WeakPolarHBondContact O-CD2 3.5Å; R259-F263 WeakPolarHBondContact O-CG 3.24Å; R259-F263 PolarHBondContact O-N 3.09Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.44Å; F263-Q266 PolarHBondContact O-N 3.05Å; F263-T267 WeakPolarHBondContact O-CB 3.28Å; F263-T267 PolarHBondContact O-N 2.81Å; F263-T267 PolarHBondContact O-OG1 3.36Å; F263-Q283 HydrophobicContact CB-CB 4.34Å; F263-Q283 HydrophobicContact CD1-CB 3.65Å; F263-Q283 HydrophobicContact CD1-CG 4.26Å; F263-Q283 HydrophobicContact CD2-CB 4.03Å; F263-Q283 HydrophobicContact CE1-CB 3.82Å; F263-Q283 HydrophobicContact CE1-CG 4.17Å; F263-Q283 VanDerWaalsContact CE1-OE1 3.25Å; F263-Q283 HydrophobicContact CE2-CB 4.15Å; F263-Q283 HydrophobicContact CG-CB 3.77Å; F263-Q283 HydrophobicContact CZ-CB 4.07Å
264	L	94	Very high	84.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-45.6	170.1	177	63.1	0	0	0	111.1	L235 S260 L261 T267 I268 L286 T287 I294 F322	L235-L264 HydrophobicContact CD1-CD2 3.8Å; L235-L264 HydrophobicContact CD2-CD2 4.4Å; S260-L264 PolarHBondContact O-N 2.8Å; L261-L264 HydrophobicContact CD2-CD2 4.23Å; L261-L264 WeakPolarHBondContact O-CA 3.15Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 2.9Å; L261-L264 VanDerWaalsContact O-N 3.13Å; L264-T267 WeakPolarHBondContact O-CB 3.5Å; L264-T267 PolarHBondContact O-N 3.45Å; L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.41Å; L264-I268 HydrophobicContact CG-CD1 4.07Å; L264-I268 WeakPolarHBondContact O-CG1 3.35Å; L264-I268 PolarHBondContact O-N 3.34Å; L264-L286 HydrophobicContact CD2-CD2 4.26Å; L264-T287 HydrophobicContact CB-CG2 4.06Å; L264-T287 HydrophobicContact CD1-CG2 4.2Å; L264-I294 HydrophobicContact CD1-CD1 3.38Å; L264-I294 HydrophobicContact CD1-CG1 4.42Å; L264-F322 HydrophobicContact CD2-CZ 4.09Å; L264-F322 HydrophobicContact CG-CE2 4.41Å; L264-F322 HydrophobicContact CG-CZ 4.26Å
265	E	92.4	Very high	86	Confident	58 Å²	58	45.3 Å²	45.3	27%	0.271	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-45.4	175	-71.6	-175.2	-170.2	0	0	112.3	Y76 L261 A262 T267 I268 L269 F322	Y76-E265 PolarHBondContact OH-OE1 3.02Å; Y76-E265 VanDerWaalsContact OH-OE1 3.14Å; L261-E265 WeakPolarHBondContact O-CG 3.24Å; L261-E265 PolarHBondContact O-N 3.06Å; A262-E265 WeakPolarHBondContact O-CB 3.31Å; A262-E265 PolarHBondContact O-N 2.88Å; E265-T267 VanDerWaalsContact C-N 3.31Å; E265-T267 PolarHBondContact O-N 2.85Å; E265-I268 PolarHBondContact O-N 2.93Å; E265-L269 WeakPolarHBondContact O-CB 3.37Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.48Å; E265-L269 PolarHBondContact O-N 3.38Å; E265-F322 HydrophobicContact CG-CD2 3.69Å; E265-F322 HydrophobicContact CG-CE2 3.74Å
266	Q	92.5	Very high	87	Confident	91 Å²	91	49.7 Å²	49.7	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-38.7	175.8	-72.5	178.4	9.2	0	0	112.3	A262 F263 L269 A270	A262-Q266 WeakPolarHBondContact O-CG 3.38Å; A262-Q266 PolarHBondContact O-N 3.47Å; F263-Q266 PolarHBondContact O-N 3.05Å; Q266-L269 PolarHBondContact O-N 3.19Å; Q266-A270 VanDerWaalsContact O-CB 3.31Å; Q266-A270 WeakPolarHBondContact O-CB 3.32Å; Q266-A270 PolarHBondContact O-N 3.47Å
267	T	93.6	Very high	88	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-44.3	176.5	-60.1	0	0	0	0	110.7	F263 L264 E265 A270 L271 I279 Y281	F263-T267 WeakPolarHBondContact O-CB 3.28Å; F263-T267 PolarHBondContact O-N 2.81Å; F263-T267 PolarHBondContact O-OG1 3.36Å; L264-T267 WeakPolarHBondContact O-CB 3.5Å; L264-T267 PolarHBondContact O-N 3.45Å; E265-T267 VanDerWaalsContact C-N 3.31Å; E265-T267 PolarHBondContact O-N 2.85Å; T267-A270 PolarHBondContact O-N 3.12Å; T267-L271 HydrophobicContact CG2-CD1 3.9Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 VanDerWaalsContact O-CG 3.27Å; T267-L271 WeakPolarHBondContact O-CG 3.24Å; T267-L271 PolarHBondContact O-N 3.46Å; T267-I279 HydrophobicContact CG2-CG2 3.84Å; T267-Y281 HydrophobicContact CG2-CD1 3.74Å; T267-Y281 HydrophobicContact CG2-CE1 3.73Å
268	I	92.7	Very high	89.4	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-44.6	176.9	-71.8	170.6	0	0	0	111.3	L264 E265 A270 L271 S272 I294 F322 R325 I329	L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.41Å; L264-I268 HydrophobicContact CG-CD1 4.07Å; L264-I268 WeakPolarHBondContact O-CG1 3.35Å; L264-I268 PolarHBondContact O-N 3.34Å; E265-I268 PolarHBondContact O-N 2.93Å; I268-A270 VanDerWaalsContact C-N 3.32Å; I268-A270 PolarHBondContact O-N 3.25Å; I268-L271 PolarHBondContact O-N 2.8Å; I268-S272 WeakPolarHBondContact O-CB 3.42Å; I268-S272 PolarHBondContact O-N 3.33Å; I268-S272 PolarHBondContact O-OG 2.84Å; I268-I294 HydrophobicContact CG1-CG2 4.09Å; I268-F322 HydrophobicContact CD1-CD2 4.41Å; I268-F322 HydrophobicContact CD1-CE1 4.12Å; I268-F322 HydrophobicContact CD1-CE2 3.39Å; I268-F322 HydrophobicContact CD1-CZ 3.2Å; I268-R325 HydrophobicContact CG2-CB 4.12Å; I268-I329 HydrophobicContact CB-CD1 4.22Å; I268-I329 HydrophobicContact CG1-CD1 3.82Å; I268-I329 HydrophobicContact CG2-CD1 3.89Å; I268-I329 HydrophobicContact CG2-CG1 4.3Å
269	L	91.2	Very high	90.4	Very high	70 Å²	70	60.6 Å²	60.6	37%	0.366	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-45.6	174.7	-77.1	169	0	0	0	111.2	E265 Q266 L271 S272 D273 R325	E265-L269 WeakPolarHBondContact O-CB 3.37Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.48Å; E265-L269 PolarHBondContact O-N 3.38Å; Q266-L269 PolarHBondContact O-N 3.19Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.39Å; L269-S272 PolarHBondContact O-N 3.45Å; L269-S272 PolarHBondContact O-OG 3.13Å; L269-D273 PolarHBondContact O-N 3.46Å; L269-R325 HydrophobicContact CD2-CG 4.49Å
270	A	92.8	Very high	90.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-38.9	177.6	0	0	0	0	0	112.2	Q266 T267 I268 D273 I279	Q266-A270 VanDerWaalsContact O-CB 3.31Å; Q266-A270 WeakPolarHBondContact O-CB 3.32Å; Q266-A270 PolarHBondContact O-N 3.47Å; T267-A270 PolarHBondContact O-N 3.12Å; I268-A270 VanDerWaalsContact C-N 3.32Å; I268-A270 PolarHBondContact O-N 3.25Å; A270-D273 PolarHBondContact O-N 3.42Å; A270-I279 HydrophobicContact CB-CD1 3.74Å; A270-I279 WeakPolarHBondContact O-CD1 3.46Å
271	L	92.2	Very high	91	Very high	24 Å²	24	58.2 Å²	58.2	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-72.5	-27.7	178.6	-76.4	166.9	0	0	0	114.1	T267 I268 L269 D273 I279 Y281 I294 I329 P330	T267-L271 HydrophobicContact CG2-CD1 3.9Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 VanDerWaalsContact O-CG 3.27Å; T267-L271 WeakPolarHBondContact O-CG 3.24Å; T267-L271 PolarHBondContact O-N 3.46Å; I268-L271 PolarHBondContact O-N 2.8Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.39Å; L271-D273 VanDerWaalsContact C-N 3.29Å; L271-I279 HydrophobicContact CD1-CG2 4.42Å; L271-I279 HydrophobicContact CD2-CD1 3.98Å; L271-I279 HydrophobicContact CD2-CG1 3.93Å; L271-I279 HydrophobicContact CD2-CG2 4.04Å; L271-I279 HydrophobicContact CG-CD1 4.2Å; L271-I279 HydrophobicContact CG-CG1 4.46Å; L271-I279 HydrophobicContact CG-CG2 3.89Å; L271-Y281 HydrophobicContact CD1-CE1 4.2Å; L271-Y281 VanDerWaalsContact CD2-OH 3.26Å; L271-Y281 WeakPolarHBondContact CD2-OH 3.21Å; L271-I294 HydrophobicContact CD1-CG2 3.96Å; L271-I294 WeakPolarHBondContact CD1-O 3.27Å; L271-I329 HydrophobicContact CB-CG1 4.24Å; L271-I329 HydrophobicContact CB-CG2 4.24Å; L271-I329 HydrophobicContact CD1-CG2 4.44Å; L271-P330 WeakPolarHBondContact O-CD 3.28Å
272	S	88.9	Confident	91.1	Very high	38 Å²	38	66.2 Å²	66.2	27%	0.266	33%	0.329	S	S	.	.	H	α-helix	trans	-76.1	-19	176.1	66.5	0	0	0	0	113.1	I268 L269 P274	I268-S272 WeakPolarHBondContact O-CB 3.42Å; I268-S272 PolarHBondContact O-N 3.33Å; I268-S272 PolarHBondContact O-OG 2.84Å; L269-S272 PolarHBondContact O-N 3.45Å; L269-S272 PolarHBondContact O-OG 3.13Å; S272-P274 WeakPolarHBondContact O-CD 3.19Å
273	D	89.3	Confident	91.2	Very high	51 Å²	51	68.1 Å²	68.1	27%	0.273	33%	0.331	S	S	.	.			trans	-97.2	105.3	-179.4	-176.1	-4.2	0	0	0	110.2	L269 A270 L271 T275 R276	L269-D273 PolarHBondContact O-N 3.46Å; A270-D273 PolarHBondContact O-N 3.42Å; L271-D273 VanDerWaalsContact C-N 3.29Å; D273-T275 PolarHBondContact O-N 3.19Å; D273-T275 VanDerWaalsContact O-N 3.12Å; D273-T275 WeakPolarHBondContact OD1-CB 3.22Å; D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3.12Å; D273-R276 HydrophobicContact CB-CG 4.22Å; D273-R276 PolarHBondContact O-N 3.18Å; D273-R276 IonicContact OD2-NE 3.46Å
274	P	84.9	Confident	91.2	Very high	125 Å²	125	66.3 Å²	66.3	81%	0.812	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.1	-179.2	29.7	-35.9	0	0	0	113.3	S272 R276	S272-P274 WeakPolarHBondContact O-CD 3.19Å; P274-R276 VanDerWaalsContact C-N 3.3Å
275	T	89.3	Confident	91.2	Very high	110 Å²	110	69.7 Å²	69.7	68%	0.675	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-9.4	178.5	72.2	0	0	0	0	113.1	D273	D273-T275 PolarHBondContact O-N 3.19Å; D273-T275 VanDerWaalsContact O-N 3.12Å; D273-T275 WeakPolarHBondContact OD1-CB 3.22Å; D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3.12Å
276	R	88.1	Confident	91.3	Very high	143 Å²	143	67 Å²	67	54%	0.54	33%	0.325	S	S	.	.			trans	-95.2	118.3	-179.1	-74.3	-174.4	176.1	-158.7	-1.5	112.1	D273 P274	D273-R276 HydrophobicContact CB-CG 4.22Å; D273-R276 PolarHBondContact O-N 3.18Å; D273-R276 IonicContact OD2-NE 3.46Å; P274-R276 VanDerWaalsContact C-N 3.3Å
277	D	85.7	Confident	91.4	Very high	167 Å²	167	62.6 Å²	62.6	89%	0.893	31%	0.305	S	S	*	.			trans	-79.7	-32.6	175.4	-63.4	-37.7	0	0	0	113.3
278	Y	90.9	Very high	91.5	Very high	169 Å²	169	63.5 Å²	63.5	66%	0.663	31%	0.309	S	S	*	.			trans	-100.4	120.1	-176.3	-179.6	-99.1	0	0	0	112.1	P280	Y278-P280 HydrophobicContact CE1-CB 3.97Å
279	I	92.7	Very high	91.6	Very high	33 Å²	33	63.5 Å²	63.5	17%	0.169	31%	0.309	C	S	.	.			trans	-107.9	123.4	175.2	-50.1	-59.6	0	0	0	110.3	T267 A270 L271 Y281	T267-I279 HydrophobicContact CG2-CG2 3.84Å; A270-I279 HydrophobicContact CB-CD1 3.74Å; A270-I279 WeakPolarHBondContact O-CD1 3.46Å; L271-I279 HydrophobicContact CD1-CG2 4.42Å; L271-I279 HydrophobicContact CD2-CD1 3.98Å; L271-I279 HydrophobicContact CD2-CG1 3.93Å; L271-I279 HydrophobicContact CD2-CG2 4.04Å; L271-I279 HydrophobicContact CG-CD1 4.2Å; L271-I279 HydrophobicContact CG-CG1 4.46Å; L271-I279 HydrophobicContact CG-CG2 3.89Å; I279-Y281 VanDerWaalsContact C-N 3.25Å; I279-Y281 HydrophobicContact CB-CD2 3.85Å; I279-Y281 HydrophobicContact CB-CE2 3.5Å; I279-Y281 HydrophobicContact CG1-CE2 4.27Å; I279-Y281 HydrophobicContact CG2-CD1 4.2Å; I279-Y281 HydrophobicContact CG2-CD2 3.68Å; I279-Y281 HydrophobicContact CG2-CE1 3.89Å; I279-Y281 HydrophobicContact CG2-CE2 3.34Å; I279-Y281 HydrophobicContact CG2-CG 4.12Å; I279-Y281 VanDerWaalsContact CG2-CZ 3.46Å; I279-Y281 PolarHBondContact O-N 3.4Å
280	P	92.4	Very high	91.7	Very high	12 Å²	12	60.2 Å²	60.2	8%	0.078	29%	0.291	C	S	.	.			trans	-82.2	45.8	-168.9	34.6	-38.6	0	0	0	115.1	Y278 R282 Q283	Y278-P280 HydrophobicContact CE1-CB 3.97Å; P280-R282 PolarHBondContact O-N 2.93Å; P280-Q283 VanDerWaalsContact CB-CD 3.47Å; P280-Q283 HydrophobicContact CB-CG 3.97Å; P280-Q283 PolarHBondContact O-N 3.23Å
281	Y	93.2	Very high	91.7	Very high	37 Å²	37	62 Å²	62	15%	0.145	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-54.5	-31.8	-176.4	-66.1	-71.8	0	0	0	114.6	T267 L271 I279 Q283 T287 H288 K291	T267-Y281 HydrophobicContact CG2-CD1 3.74Å; T267-Y281 HydrophobicContact CG2-CE1 3.73Å; L271-Y281 HydrophobicContact CD1-CE1 4.2Å; L271-Y281 VanDerWaalsContact CD2-OH 3.26Å; L271-Y281 WeakPolarHBondContact CD2-OH 3.21Å; I279-Y281 VanDerWaalsContact C-N 3.25Å; I279-Y281 HydrophobicContact CB-CD2 3.85Å; I279-Y281 HydrophobicContact CB-CE2 3.5Å; I279-Y281 HydrophobicContact CG1-CE2 4.27Å; I279-Y281 HydrophobicContact CG2-CD1 4.2Å; I279-Y281 HydrophobicContact CG2-CD2 3.68Å; I279-Y281 HydrophobicContact CG2-CE1 3.89Å; I279-Y281 HydrophobicContact CG2-CE2 3.34Å; I279-Y281 HydrophobicContact CG2-CG 4.12Å; I279-Y281 VanDerWaalsContact CG2-CZ 3.46Å; I279-Y281 PolarHBondContact O-N 3.4Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.48Å; Y281-T287 CarbonylContact O-C 3.59Å; Y281-T287 WeakPolarHBondContact O-CB 3.44Å; Y281-T287 PolarHBondContact O-OG1 2.99Å; Y281-H288 WeakPolarHBondContact O-CA 3.38Å; Y281-H288 WeakPolarHBondContact O-CB 3.31Å; Y281-H288 PolarHBondContact O-N 3.07Å; Y281-K291 HydrophobicContact CD1-CB 4.01Å; Y281-K291 HydrophobicContact CD1-CG 3.98Å; Y281-K291 HydrophobicContact CD2-CG 3.85Å; Y281-K291 HydrophobicContact CE1-CB 4.44Å; Y281-K291 HydrophobicContact CE1-CG 4.23Å; Y281-K291 HydrophobicContact CE2-CG 4.08Å; Y281-K291 HydrophobicContact CG-CB 4.12Å; Y281-K291 HydrophobicContact CG-CG 3.77Å
282	R	93.3	Very high	91.5	Very high	173 Å²	173	63.2 Å²	63.2	65%	0.653	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-83.5	-2	-173.1	-67.2	-176.4	176.3	163	1.9	114.6	E159 P280 S284	E159-R282 IonicContact OE1-CZ 3.63Å; E159-R282 IonicContact OE1-NE 2.71Å; E159-R282 PolarHBondContact OE1-NE 3.22Å; E159-R282 IonicContact OE1-NH2 3.55Å; E159-R282 PolarHBondContact OE1-NH2 3.3Å; E159-R282 IonicContact OE2-NH2 3.18Å; P280-R282 PolarHBondContact O-N 2.93Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 2.62Å
283	Q	91.8	Very high	91.5	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-70.4	-27.2	-178	-73.1	-179.1	-26	0	0	113.5	F263 P280 Y281	F263-Q283 HydrophobicContact CB-CB 4.34Å; F263-Q283 HydrophobicContact CD1-CB 3.65Å; F263-Q283 HydrophobicContact CD1-CG 4.26Å; F263-Q283 HydrophobicContact CD2-CB 4.03Å; F263-Q283 HydrophobicContact CE1-CB 3.82Å; F263-Q283 HydrophobicContact CE1-CG 4.17Å; F263-Q283 VanDerWaalsContact CE1-OE1 3.25Å; F263-Q283 HydrophobicContact CE2-CB 4.15Å; F263-Q283 HydrophobicContact CG-CB 3.77Å; F263-Q283 HydrophobicContact CZ-CB 4.07Å; P280-Q283 VanDerWaalsContact CB-CD 3.47Å; P280-Q283 HydrophobicContact CB-CG 3.97Å; P280-Q283 PolarHBondContact O-N 3.23Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.48Å
284	S	93.7	Very high	91.4	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.014	28%	0.283	C	S	.	.	S	Bend	trans	-130.8	153.5	171.2	78.7	0	0	0	0	111.2	E131 R282 L286 T287 H288	E131-S284 WeakPolarHBondContact OE2-CA 2.98Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 2.62Å; S284-L286 PolarHBondContact O-N 3.45Å; S284-T287 PolarHBondContact N-OG1 3.37Å; S284-T287 PolarHBondContact O-OG1 2.99Å; S284-T287 VanDerWaalsContact O-OG1 3.11Å; S284-T287 WeakPolarHBondContact OG-CB 3.44Å; S284-T287 WeakPolarHBondContact OG-CG2 3.42Å; S284-T287 PolarHBondContact OG-N 3.11Å; S284-T287 PolarHBondContact OG-OG1 3.11Å; S284-H288 WeakPolarHBondContact O-CB 3.4Å; S284-H288 PolarHBondContact O-N 3.36Å
285	K	94	Very high	91.1	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-35.1	172.1	-63.2	-52.7	-179.7	-170.5	0	111.6	I128 E131 I133 I157 H288 F289	I128-K285 HydrophobicContact CD1-CB 4.43Å; I128-K285 HydrophobicContact CG2-CB 4.16Å; E131-K285 HydrophobicContact CB-CG 4.47Å; E131-K285 WeakPolarHBondContact O-CG 3.34Å; E131-K285 WeakPolarHBondContact OE2-CG 3.45Å; E131-K285 PolarHBondContact OE2-N 3.35Å; I133-K285 HydrophobicContact CD1-CB 4.49Å; I133-K285 HydrophobicContact CG1-CB 4.4Å; I133-K285 HydrophobicContact CG1-CG 4.5Å; I157-K285 HydrophobicContact CD1-CB 3.97Å; I157-K285 HydrophobicContact CD1-CD 3.82Å; I157-K285 HydrophobicContact CD1-CG 4.47Å; I157-K285 VanDerWaalsContact CD1-O 3.22Å; I157-K285 WeakPolarHBondContact CD1-O 3.43Å; I157-K285 HydrophobicContact CG1-CD 4.44Å; K285-H288 PolarHBondContact O-N 3.44Å; K285-F289 VanDerWaalsContact O-CB 3.24Å; K285-F289 WeakPolarHBondContact O-CB 3.45Å; K285-F289 PolarHBondContact O-N 2.93Å
286	L	95	Very high	90.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-57.5	177.9	177.2	67.1	0	0	0	111.3	I128 H206 I208 L235 L264 S284 H288 F289 L290	I128-L286 HydrophobicContact CD1-CB 4.33Å; I128-L286 HydrophobicContact CD1-CD1 4.34Å; H206-L286 HydrophobicContact CB-CD1 4.09Å; I208-L286 HydrophobicContact CD1-CD1 4.02Å; L235-L286 HydrophobicContact CD2-CD1 3.96Å; L235-L286 HydrophobicContact CD2-CD2 3.81Å; L235-L286 HydrophobicContact CD2-CG 4.46Å; L264-L286 HydrophobicContact CD2-CD2 4.26Å; S284-L286 PolarHBondContact O-N 3.45Å; L286-H288 PolarHBondContact O-N 3.3Å; L286-F289 PolarHBondContact O-N 3.23Å; L286-L290 HydrophobicContact CD1-CD1 3.64Å; L286-L290 HydrophobicContact CD1-CG 4.38Å; L286-L290 HydrophobicContact CG-CD1 4.2Å; L286-L290 WeakPolarHBondContact O-CB 3.26Å; L286-L290 WeakPolarHBondContact O-CG 2.99Å; L286-L290 PolarHBondContact O-N 3.09Å
287	T	94.3	Very high	90.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-31.1	179.3	53.5	0	0	0	0	112	L264 Y281 S284 L290 K291	L264-T287 HydrophobicContact CB-CG2 4.06Å; L264-T287 HydrophobicContact CD1-CG2 4.2Å; Y281-T287 CarbonylContact O-C 3.59Å; Y281-T287 WeakPolarHBondContact O-CB 3.44Å; Y281-T287 PolarHBondContact O-OG1 2.99Å; S284-T287 PolarHBondContact N-OG1 3.37Å; S284-T287 PolarHBondContact O-OG1 2.99Å; S284-T287 VanDerWaalsContact O-OG1 3.11Å; S284-T287 WeakPolarHBondContact OG-CB 3.44Å; S284-T287 WeakPolarHBondContact OG-CG2 3.42Å; S284-T287 PolarHBondContact OG-N 3.11Å; S284-T287 PolarHBondContact OG-OG1 3.11Å; T287-L290 CarbonylContact O-C 3.56Å; T287-K291 WeakPolarHBondContact O-CA 3.46Å; T287-K291 PolarHBondContact O-N 3.43Å
288	H	94.6	Very high	90.6	Very high	18 Å²	18	42.1 Å²	42.1	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-72	-43.9	179	-171.4	-168.6	0	0	0	110.7	I157 E159 Y281 S284 K285 L286 K291	I157-H288 HydrophobicContact CD1-CB 3.93Å; E159-H288 IonicContact OE1-CD2 3.8Å; E159-H288 IonicContact OE1-CE1 2.65Å; E159-H288 IonicContact OE1-NE2 3.05Å; E159-H288 PolarHBondContact OE1-NE2 2.98Å; Y281-H288 WeakPolarHBondContact O-CA 3.38Å; Y281-H288 WeakPolarHBondContact O-CB 3.31Å; Y281-H288 PolarHBondContact O-N 3.07Å; S284-H288 WeakPolarHBondContact O-CB 3.4Å; S284-H288 PolarHBondContact O-N 3.36Å; K285-H288 PolarHBondContact O-N 3.44Å; L286-H288 PolarHBondContact O-N 3.3Å; H288-K291 WeakPolarHBondContact O-CB 3.35Å; H288-K291 PolarHBondContact O-N 2.95Å
289	F	95	Very high	90.5	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-42.4	175.5	-175.2	-107.3	0	0	0	111.6	I126 I157 V164 I166 I208 H231 K285 L286 K291	I126-F289 HydrophobicContact CD1-CD1 4.3Å; I126-F289 HydrophobicContact CD1-CE1 4.08Å; I126-F289 HydrophobicContact CD1-CE2 4.38Å; I126-F289 HydrophobicContact CD1-CZ 4.11Å; I157-F289 HydrophobicContact CD1-CB 4.01Å; V164-F289 HydrophobicContact CG1-CD2 4.44Å; I166-F289 HydrophobicContact CD1-CD2 3.52Å; I166-F289 HydrophobicContact CD1-CE2 3.37Å; I166-F289 HydrophobicContact CD1-CG 4.44Å; I166-F289 HydrophobicContact CD1-CZ 4.2Å; I166-F289 HydrophobicContact CG1-CD2 3.82Å; I166-F289 HydrophobicContact CG1-CE2 3.8Å; I208-F289 HydrophobicContact CD1-CD1 3.77Å; I208-F289 HydrophobicContact CD1-CE1 4.14Å; I208-F289 HydrophobicContact CG2-CD1 4.46Å; I208-F289 HydrophobicContact CG2-CE1 3.79Å; H231-F289 AromaticContact CE1-CE1 3.94Å; H231-F289 AromaticContact CE1-CZ 3.89Å; H231-F289 AromaticContact ND1-CE1 3.9Å; K285-F289 VanDerWaalsContact O-CB 3.24Å; K285-F289 WeakPolarHBondContact O-CB 3.45Å; K285-F289 PolarHBondContact O-N 2.93Å; L286-F289 PolarHBondContact O-N 3.23Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 3.36Å
290	L	93.7	Very high	90.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	12.2	-178.7	-62.6	178.8	0	0	0	114	L74 V233 L286 T287 N292 S293 I294	L74-L290 HydrophobicContact CD2-CD1 4.33Å; V233-L290 HydrophobicContact CG1-CD1 4.25Å; V233-L290 HydrophobicContact CG2-CD1 4.18Å; V233-L290 HydrophobicContact CG2-CD2 3.87Å; L286-L290 HydrophobicContact CD1-CD1 3.64Å; L286-L290 HydrophobicContact CD1-CG 4.38Å; L286-L290 HydrophobicContact CG-CD1 4.2Å; L286-L290 WeakPolarHBondContact O-CB 3.26Å; L286-L290 WeakPolarHBondContact O-CG 2.99Å; L286-L290 PolarHBondContact O-N 3.09Å; T287-L290 CarbonylContact O-C 3.56Å; L290-N292 PolarHBondContact O-N 2.9Å; L290-N292 VanDerWaalsContact O-N 3.14Å; L290-S293 CarbonylContact O-C 3.18Å; L290-S293 WeakPolarHBondContact O-CA 3.46Å; L290-S293 WeakPolarHBondContact O-CB 3.32Å; L290-S293 PolarHBondContact O-N 3.17Å; L290-I294 HydrophobicContact CB-CD1 3.42Å; L290-I294 VanDerWaalsContact CB-CD1 3.42Å; L290-I294 HydrophobicContact CB-CG1 3.94Å; L290-I294 HydrophobicContact CD1-CD1 3.9Å; L290-I294 HydrophobicContact CG-CD1 4.32Å; L290-I294 PolarHBondContact O-N 2.9Å
291	K	92	Very high	90.6	Very high	38 Å²	38	35 Å²	35	17%	0.165	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-46	-179.8	176.2	-167.1	178	-158.5	0	112.6	E159 D162 V164 Y281 T287 H288 F289	E159-K291 IonicContact OE2-NZ 3.41Å; E159-K291 PolarHBondContact OE2-NZ 3.37Å; D162-K291 IonicContact OD1-NZ 3.07Å; D162-K291 PolarHBondContact OD1-NZ 3.5Å; V164-K291 HydrophobicContact CG2-CB 4.06Å; V164-K291 HydrophobicContact CG2-CD 4.12Å; Y281-K291 HydrophobicContact CD1-CB 4.01Å; Y281-K291 HydrophobicContact CD1-CG 3.98Å; Y281-K291 HydrophobicContact CD2-CG 3.85Å; Y281-K291 HydrophobicContact CE1-CB 4.44Å; Y281-K291 HydrophobicContact CE1-CG 4.23Å; Y281-K291 HydrophobicContact CE2-CG 4.08Å; Y281-K291 HydrophobicContact CG-CB 4.12Å; Y281-K291 HydrophobicContact CG-CG 3.77Å; T287-K291 WeakPolarHBondContact O-CA 3.46Å; T287-K291 PolarHBondContact O-N 3.43Å; H288-K291 WeakPolarHBondContact O-CB 3.35Å; H288-K291 PolarHBondContact O-N 2.95Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 3.36Å
292	N	88.1	Confident	90.7	Very high	50 Å²	50	33.6 Å²	33.6	27%	0.267	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15	-178	-65.3	-0.8	0	0	0	112.8	D162 L290 C298	D162-N292 PolarHBondContact O-ND2 3.33Å; L290-N292 PolarHBondContact O-N 2.9Å; L290-N292 VanDerWaalsContact O-N 3.14Å; N292-C298 WeakPolarHBondContact O-CB 3.38Å; N292-C298 PolarHBondContact O-N 2.86Å
293	S	88.9	Confident	90.9	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-42.1	-179.4	-56	0	0	0	0	111.3	H231 L290 G295 T300	H231-S293 PolarHBondContact CD2-OG 3.08Å; L290-S293 CarbonylContact O-C 3.18Å; L290-S293 WeakPolarHBondContact O-CA 3.46Å; L290-S293 WeakPolarHBondContact O-CB 3.32Å; L290-S293 PolarHBondContact O-N 3.17Å; S293-G295 PolarHBondContact O-N 2.93Å; S293-G295 VanDerWaalsContact O-N 3.11Å; S293-T300 WeakPolarHBondContact O-CB 3.41Å; S293-T300 PolarHBondContact O-OG1 2.78Å
294	I	87.3	Confident	91.1	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.111	C	C	.	.	S	Bend	trans	-90.8	78.9	-177.6	-56.3	155.5	0	0	0	107.8	L74 L264 I268 L271 L290 I329	L74-I294 HydrophobicContact CD2-CD1 4.38Å; L74-I294 HydrophobicContact CD2-CG1 3.98Å; L264-I294 HydrophobicContact CD1-CD1 3.38Å; L264-I294 HydrophobicContact CD1-CG1 4.42Å; I268-I294 HydrophobicContact CG1-CG2 4.09Å; L271-I294 HydrophobicContact CD1-CG2 3.96Å; L271-I294 WeakPolarHBondContact CD1-O 3.27Å; L290-I294 HydrophobicContact CB-CD1 3.42Å; L290-I294 VanDerWaalsContact CB-CD1 3.42Å; L290-I294 HydrophobicContact CB-CG1 3.94Å; L290-I294 HydrophobicContact CD1-CD1 3.9Å; L290-I294 HydrophobicContact CG-CD1 4.32Å; L290-I294 PolarHBondContact O-N 2.9Å; I294-I329 HydrophobicContact CG2-CD1 4.18Å
295	G	80.1	Confident	91.2	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	99.2	176.4	-177.5	0	0	0	0	0	114.2	S293 R297	S293-G295 PolarHBondContact O-N 2.93Å; S293-G295 VanDerWaalsContact O-N 3.11Å; G295-R297 PolarHBondContact O-N 2.87Å
296	G	80.4	Confident	91.2	Very high	43 Å²	43	18 Å²	18	44%	0.443	10%	0.096	S	C	.	.	B	Isolated β-bridge	trans	72	-123.1	177.6	0	0	0	0	0	113.4	K332	G296-K332 CarbonylContact O-C 3.55Å; G296-K332 PolarHBondContact O-N 3.2Å
297	R	83.2	Confident	90.9	Very high	114 Å²	114	20.1 Å²	20.1	43%	0.43	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.6	-166.9	-66.8	174.8	62.6	136.6	4.1	115.5	G295 K332 P333 E334 N336	G295-R297 PolarHBondContact O-N 2.87Å; R297-K332 WeakPolarHBondContact CA-O 3.17Å; R297-P333 WeakPolarHBondContact O-CA 2.89Å; R297-E334 HydrophobicContact CG-CB 4.38Å; R297-E334 HydrophobicContact CG-CG 4.39Å; R297-E334 IonicContact CZ-OE2 2.98Å; R297-E334 IonicContact NE-OE2 2.8Å; R297-E334 PolarHBondContact NE-OE2 3.44Å; R297-E334 IonicContact NH1-OE2 2.82Å; R297-E334 PolarHBondContact NH1-OE2 2.97Å; R297-E334 VanDerWaalsContact NH1-OE2 3.16Å; R297-E334 IonicContact NH2-OE2 3.76Å; R297-E334 PolarHBondContact O-N 3.16Å; R297-N336 PolarHBondContact NH2-OD1 3.27Å
298	C	87.9	Confident	90.5	Very high	24 Å²	24	20.7 Å²	20.7	16%	0.162	11%	0.107	C	C	.	.	S	Bend	trans	-96.8	144.6	178.7	-175.9	0	0	0	0	111.1	N292 T300 S331	N292-C298 WeakPolarHBondContact O-CB 3.38Å; N292-C298 PolarHBondContact O-N 2.86Å; C298-T300 PolarHBondContact SG-OG1 3.33Å; C298-T300 VanDerWaalsContact SG-OG1 3.39Å; C298-S331 PolarHBondContact O-OG 2.66Å
299	Q	89.7	Confident	90	Very high	56 Å²	56	20.9 Å²	20.9	26%	0.262	11%	0.108	S	C	.	.			trans	-90.3	114.8	167.7	-155.6	171.5	23.9	0	0	109.4	R71 P333	R71-Q299 VanDerWaalsContact CD-CG 3.46Å; R71-Q299 VanDerWaalsContact CD-OE1 3.29Å; R71-Q299 VanDerWaalsContact NH1-CD 3.31Å; Q299-P333 HydrophobicContact CB-CB 4.16Å; Q299-P333 HydrophobicContact CB-CG 3.71Å; Q299-P333 HydrophobicContact CG-CG 3.79Å
300	T	92.4	Very high	89.3	Confident	6 Å²	6	22.4 Å²	22.4	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.4	-166.9	-62.5	0	0	0	0	110.8	V3 T4 T72 L74 S293 C298	V3-T300 HydrophobicContact CG1-CG2 4.45Å; T4-T300 PolarHBondContact N-O 3.2Å; T72-T300 HydrophobicContact CG2-CG2 4.48Å; L74-T300 HydrophobicContact CD1-CG2 3.62Å; S293-T300 WeakPolarHBondContact O-CB 3.41Å; S293-T300 PolarHBondContact O-OG1 2.78Å; C298-T300 PolarHBondContact SG-OG1 3.33Å; C298-T300 VanDerWaalsContact SG-OG1 3.39Å
301	I	94.5	Very high	88.8	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.9	175.9	-60.1	175.6	0	0	0	107.6	T4 F6 T69 R71 T72 I73 L74 I303	T4-I301 CarbonylContact O-C 3.58Å; T4-I301 VanDerWaalsContact O-CA 3.28Å; T4-I301 WeakPolarHBondContact O-CA 3.36Å; F6-I301 HydrophobicContact CD2-CG2 3.51Å; F6-I301 HydrophobicContact CE2-CD1 4.36Å; F6-I301 HydrophobicContact CE2-CG2 3.7Å; T69-I301 HydrophobicContact CG2-CG2 4.4Å; R71-I301 HydrophobicContact CB-CD1 3.81Å; R71-I301 HydrophobicContact CB-CG1 4.11Å; R71-I301 HydrophobicContact CG-CD1 3.99Å; T72-I301 PolarHBondContact O-N 2.94Å; I73-I301 CarbonylContact C-O 3.58Å; I73-I301 WeakPolarHBondContact CA-O 3.34Å; I73-I301 HydrophobicContact CG1-CB 4.1Å; I73-I301 HydrophobicContact CG1-CG2 4.5Å; L74-I301 PolarHBondContact N-O 3.1Å; I301-I303 HydrophobicContact CG2-CG1 4.28Å
302	L	95.5	Very high	88.4	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.2	168.3	177.9	69.7	0	0	0	108.6	T4 V5 F6 L74 F322 A323 A326	T4-L302 PolarHBondContact O-N 2.88Å; V5-L302 CarbonylContact C-O 3.59Å; V5-L302 WeakPolarHBondContact CA-O 3.37Å; V5-L302 HydrophobicContact CG1-CB 4.41Å; V5-L302 HydrophobicContact CG1-CD2 4.18Å; V5-L302 HydrophobicContact CG1-CG 4.47Å; V5-L302 HydrophobicContact CG2-CB 4.12Å; V5-L302 HydrophobicContact CG2-CD2 4.33Å; F6-L302 PolarHBondContact N-O 3.3Å; L74-L302 HydrophobicContact CB-CD1 3.92Å; L74-L302 CarbonylContact O-C 3.5Å; L74-L302 WeakPolarHBondContact O-CA 3.47Å; L302-F322 HydrophobicContact CD1-CE1 4.03Å; L302-F322 HydrophobicContact CD2-CD1 3.97Å; L302-F322 HydrophobicContact CD2-CE1 3.7Å; L302-A323 HydrophobicContact CD2-CB 4.42Å; L302-A326 HydrophobicContact CD2-CB 3.51Å
303	I	96.5	Very high	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.4	168	-54.9	175.5	0	0	0	107.4	F6 R8 T69 I73 L74 C75 Y76 T86 I99 I301	F6-I303 CarbonylContact O-C 3.53Å; F6-I303 WeakPolarHBondContact O-CA 3.34Å; R8-I303 HydrophobicContact CB-CG2 3.93Å; T69-I303 HydrophobicContact CG2-CD1 3.98Å; I73-I303 HydrophobicContact CG2-CD1 3.62Å; I73-I303 HydrophobicContact CG2-CG1 4Å; L74-I303 PolarHBondContact O-N 3.02Å; C75-I303 WeakPolarHBondContact CA-O 3.34Å; Y76-I303 PolarHBondContact N-O 2.85Å; T86-I303 HydrophobicContact CG2-CD1 3.81Å; T86-I303 HydrophobicContact CG2-CG2 4.32Å; I99-I303 HydrophobicContact CD1-CD1 3.53Å; I301-I303 HydrophobicContact CG2-CG1 4.28Å
304	A	96.7	Very high	88.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	108.5	174.4	0	0	0	0	0	108.9	F6 L7 R8 Y76 T319 A323	F6-A304 PolarHBondContact O-N 2.92Å; L7-A304 CarbonylContact C-O 3.59Å; L7-A304 WeakPolarHBondContact CA-O 3.48Å; L7-A304 HydrophobicContact CD1-CB 3.84Å; L7-A304 WeakPolarHBondContact CD1-O 3.48Å; R8-A304 PolarHBondContact N-O 3.47Å; Y76-A304 CarbonylContact O-C 3.4Å; A304-T319 HydrophobicContact CB-CG2 3.96Å; A304-A323 HydrophobicContact CB-CB 3.74Å
305	N	95.8	Very high	88.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.9	177.4	-71.5	91.2	0	0	0	109.9	R8 Y76 G77 A81 G82 K83 T86	R8-N305 WeakPolarHBondContact O-CA 3.4Å; Y76-N305 PolarHBondContact O-N 3.37Å; G77-N305 WeakPolarHBondContact CA-O 3.5Å; A81-N305 HydrophobicContact CB-CB 3.89Å; A81-N305 WeakPolarHBondContact CB-O 3.3Å; G82-N305 PolarHBondContact O-ND2 2.93Å; K83-N305 HydrophobicContact CG-CB 3.91Å; T86-N305 PolarHBondContact OG1-ND2 3.45Å
306	I	93.7	Very high	88.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	161.1	179.1	63.2	164	0	0	0	111.7	L7 R8 V9 K10 L21 T316 T319 L320	L7-I306 HydrophobicContact CD1-CD1 3.94Å; L7-I306 HydrophobicContact CD1-CG1 3.99Å; L7-I306 HydrophobicContact CD1-CG2 3.88Å; L7-I306 HydrophobicContact CD2-CD1 3.82Å; L7-I306 HydrophobicContact CD2-CG1 4.48Å; L7-I306 HydrophobicContact CG-CD1 4.06Å; L7-I306 HydrophobicContact CG-CG1 4.2Å; R8-I306 PolarHBondContact O-N 2.95Å; V9-I306 HydrophobicContact CB-CG1 4.35Å; V9-I306 HydrophobicContact CG1-CG1 4.42Å; V9-I306 HydrophobicContact CG2-CD1 3.96Å; V9-I306 HydrophobicContact CG2-CG1 3.97Å; K10-I306 WeakPolarHBondContact CB-O 2.89Å; K10-I306 PolarHBondContact N-O 3.15Å; L21-I306 HydrophobicContact CD1-CD1 3.46Å; L21-I306 VanDerWaalsContact CD1-CD1 3.46Å; I306-T316 HydrophobicContact CB-CG2 3.84Å; I306-T316 HydrophobicContact CD1-CG2 3.9Å; I306-T316 HydrophobicContact CG1-CG2 4.49Å; I306-T316 HydrophobicContact CG2-CG2 3.99Å; I306-T319 HydrophobicContact CG2-CG2 3.53Å; I306-L320 HydrophobicContact CD1-CD2 4.47Å
307	W	89.2	Confident	89.1	Confident	45 Å²	45	31.3 Å²	31.3	17%	0.17	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113	176.9	-166.5	-6.7	0	0	0	109.7	K10 E309 F312 T316	K10-W307 HydrophobicContact CB-CG 4.42Å; K10-W307 HydrophobicContact CD-CD2 3.92Å; K10-W307 HydrophobicContact CD-CE3 4.45Å; K10-W307 HydrophobicContact CD-CG 3.96Å; W307-E309 VanDerWaalsContact CE2-OE1 3.23Å; W307-E309 VanDerWaalsContact CZ2-OE1 3.28Å; W307-E309 WeakPolarHBondContact CZ2-OE1 3.32Å; W307-E309 PolarHBondContact NE1-OE1 2.87Å; W307-E309 PolarHBondContact O-N 3.39Å; W307-F312 HydrophobicContact CB-CD2 4.46Å; W307-F312 AromaticContact CD2-CD2 3.66Å; W307-F312 HydrophobicContact CD2-CD2 3.66Å; W307-F312 AromaticContact CD2-CE2 3.75Å; W307-F312 HydrophobicContact CD2-CE2 3.75Å; W307-F312 AromaticContact CE2-CE2 3.99Å; W307-F312 AromaticContact CE3-CD2 3.55Å; W307-F312 HydrophobicContact CE3-CD2 3.55Å; W307-F312 AromaticContact CE3-CE2 3.38Å; W307-F312 HydrophobicContact CE3-CE2 3.38Å; W307-F312 HydrophobicContact CE3-CG 4.32Å; W307-F312 AromaticContact CE3-CZ 3.99Å; W307-F312 HydrophobicContact CE3-CZ 3.99Å; W307-F312 HydrophobicContact CG-CD2 4.09Å; W307-F312 HydrophobicContact CH2-CD2 4.46Å; W307-F312 AromaticContact CH2-CE2 3.57Å; W307-F312 HydrophobicContact CH2-CE2 3.57Å; W307-F312 HydrophobicContact CH2-CZ 4.05Å; W307-F312 AromaticContact CZ2-CE2 3.93Å; W307-F312 HydrophobicContact CZ2-CE2 3.93Å; W307-F312 AromaticContact CZ3-CD2 3.98Å; W307-F312 HydrophobicContact CZ3-CD2 3.98Å; W307-F312 HydrophobicContact CZ3-CE1 4.5Å; W307-F312 AromaticContact CZ3-CE2 3.29Å; W307-F312 HydrophobicContact CZ3-CE2 3.29Å; W307-F312 AromaticContact CZ3-CZ 3.6Å; W307-F312 HydrophobicContact CZ3-CZ 3.6Å; W307-T316 PolarHBondContact O-OG1 3.03Å
308	N	85	Confident	89.4	Confident	11 Å²	11	27.8 Å²	27.8	6%	0.059	15%	0.151	C	C	.	.			trans	-77.6	65.5	-175.8	-168.6	16.5	0	0	0	112.4	V9 E19 V20 L21	V9-N308 HydrophobicContact CG1-CB 3.94Å; E19-N308 WeakPolarHBondContact CB-ND2 3.44Å; V20-N308 PolarHBondContact N-OD1 3.41Å; L21-N308 HydrophobicContact CD1-CB 4.17Å; L21-N308 WeakPolarHBondContact CG-OD1 3.43Å; L21-N308 PolarHBondContact N-OD1 3.03Å
309	E	83.6	Confident	89.6	Confident	22 Å²	22	26.7 Å²	26.7	10%	0.103	14%	0.143	C	C	.	.	S	Bend	trans	-131.4	144.4	171.3	-71.9	-179.2	-162.7	0	0	110.8	W307 T311 F312 L313	W307-E309 VanDerWaalsContact CE2-OE1 3.23Å; W307-E309 VanDerWaalsContact CZ2-OE1 3.28Å; W307-E309 WeakPolarHBondContact CZ2-OE1 3.32Å; W307-E309 PolarHBondContact NE1-OE1 2.87Å; W307-E309 PolarHBondContact O-N 3.39Å; E309-T311 PolarHBondContact O-N 2.84Å; E309-F312 HydrophobicContact CB-CD2 4.02Å; E309-F312 PolarHBondContact O-N 3.27Å; E309-L313 PolarHBondContact O-N 3.4Å
310	C	80.7	Confident	89.8	Confident	40 Å²	40	24 Å²	24	27%	0.27	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-55.6	-37	-179	-55.8	0	0	0	0	113.2	V20 H36 F312 L313	V20-C310 HydrophobicContact CG2-CB 4.06Å; V20-C310 WeakPolarHBondContact CG2-SG 3.47Å; H36-C310 PolarHBondContact NE2-SG 2.83Å; C310-F312 PolarHBondContact O-N 3.12Å; C310-L313 WeakPolarHBondContact O-CB 3.49Å; C310-L313 PolarHBondContact O-N 3.4Å
311	T	82.9	Confident	89.8	Confident	113 Å²	113	28.9 Å²	28.9	69%	0.693	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-58.6	-32.2	179.2	-47.5	0	0	0	0	112.3	E309	E309-T311 PolarHBondContact O-N 2.84Å
312	F	84.7	Confident	89.7	Confident	56 Å²	56	29 Å²	29	25%	0.246	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-106.5	10.7	-175.3	-58.1	-60.1	0	0	0	113.5	Q78 W307 E309 C310 N314 E315 T316	Q78-F312 VanDerWaalsContact NE2-CG 3.26Å; W307-F312 HydrophobicContact CB-CD2 4.46Å; W307-F312 AromaticContact CD2-CD2 3.66Å; W307-F312 HydrophobicContact CD2-CD2 3.66Å; W307-F312 AromaticContact CD2-CE2 3.75Å; W307-F312 HydrophobicContact CD2-CE2 3.75Å; W307-F312 AromaticContact CE2-CE2 3.99Å; W307-F312 AromaticContact CE3-CD2 3.55Å; W307-F312 HydrophobicContact CE3-CD2 3.55Å; W307-F312 AromaticContact CE3-CE2 3.38Å; W307-F312 HydrophobicContact CE3-CE2 3.38Å; W307-F312 HydrophobicContact CE3-CG 4.32Å; W307-F312 AromaticContact CE3-CZ 3.99Å; W307-F312 HydrophobicContact CE3-CZ 3.99Å; W307-F312 HydrophobicContact CG-CD2 4.09Å; W307-F312 HydrophobicContact CH2-CD2 4.46Å; W307-F312 AromaticContact CH2-CE2 3.57Å; W307-F312 HydrophobicContact CH2-CE2 3.57Å; W307-F312 HydrophobicContact CH2-CZ 4.05Å; W307-F312 AromaticContact CZ2-CE2 3.93Å; W307-F312 HydrophobicContact CZ2-CE2 3.93Å; W307-F312 AromaticContact CZ3-CD2 3.98Å; W307-F312 HydrophobicContact CZ3-CD2 3.98Å; W307-F312 HydrophobicContact CZ3-CE1 4.5Å; W307-F312 AromaticContact CZ3-CE2 3.29Å; W307-F312 HydrophobicContact CZ3-CE2 3.29Å; W307-F312 AromaticContact CZ3-CZ 3.6Å; W307-F312 HydrophobicContact CZ3-CZ 3.6Å; E309-F312 HydrophobicContact CB-CD2 4.02Å; E309-F312 PolarHBondContact O-N 3.27Å; C310-F312 PolarHBondContact O-N 3.12Å; F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.46Å; F312-E315 PolarHBondContact O-N 3.26Å; F312-E315 VanDerWaalsContact O-N 3.13Å; F312-T316 WeakPolarHBondContact O-CB 3.45Å; F312-T316 PolarHBondContact O-N 2.99Å; F312-T316 PolarHBondContact O-OG1 2.88Å
313	L	84.8	Confident	89.6	Confident	16 Å²	16	28.7 Å²	28.7	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-55	-41.9	-175.8	179.6	60.6	0	0	0	113	V20 I31 I39 E309 C310 E315 T316 L317	V20-L313 HydrophobicContact CB-CD1 4.12Å; V20-L313 HydrophobicContact CG1-CD1 3.47Å; V20-L313 VanDerWaalsContact CG1-CD1 3.47Å; V20-L313 HydrophobicContact CG1-CD2 3.86Å; V20-L313 HydrophobicContact CG1-CG 4.23Å; I31-L313 HydrophobicContact CG2-CD1 4.13Å; I39-L313 HydrophobicContact CD1-CD2 4.22Å; E309-L313 PolarHBondContact O-N 3.4Å; C310-L313 WeakPolarHBondContact O-CB 3.49Å; C310-L313 PolarHBondContact O-N 3.4Å; L313-E315 PolarHBondContact O-N 2.88Å; L313-T316 PolarHBondContact O-N 2.83Å; L313-L317 VanDerWaalsContact O-CB 3.32Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 PolarHBondContact O-N 2.96Å
314	N	85.3	Confident	89.5	Confident	95 Å²	95	30.9 Å²	30.9	51%	0.508	16%	0.163	S	C	.	.	H	α-helix	trans	-62.8	-42	-179.5	-71.5	-42	0	0	0	112.4	F312 L317 S318	F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.46Å; N314-L317 PolarHBondContact O-N 3.46Å; N314-S318 PolarHBondContact O-N 3.48Å
315	E	88.6	Confident	89.3	Confident	23 Å²	23	36 Å²	36	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-74.6	-36.4	-179.8	-62.3	-54.4	153.9	0	0	111.5	Q78 D239 F312 L313 S318 T319	Q78-E315 HydrophobicContact CB-CB 4.13Å; Q78-E315 VanDerWaalsContact OE1-CB 3.27Å; D239-E315 WeakPolarHBondContact CA-OE2 3.41Å; D239-E315 HydrophobicContact CB-CG 4.2Å; F312-E315 PolarHBondContact O-N 3.26Å; F312-E315 VanDerWaalsContact O-N 3.13Å; L313-E315 PolarHBondContact O-N 2.88Å; E315-S318 WeakPolarHBondContact O-CB 3.48Å; E315-S318 PolarHBondContact O-N 3.06Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.01Å; E315-T319 PolarHBondContact O-OG1 2.86Å
316	T	89.9	Confident	89.1	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-44.4	171.3	-66.3	0	0	0	0	111.4	L21 I306 W307 F312 L313 S318 T319 L320	L21-T316 HydrophobicContact CD1-CG2 3.87Å; L21-T316 HydrophobicContact CD2-CG2 4.4Å; I306-T316 HydrophobicContact CB-CG2 3.84Å; I306-T316 HydrophobicContact CD1-CG2 3.9Å; I306-T316 HydrophobicContact CG1-CG2 4.49Å; I306-T316 HydrophobicContact CG2-CG2 3.99Å; W307-T316 PolarHBondContact O-OG1 3.03Å; F312-T316 WeakPolarHBondContact O-CB 3.45Å; F312-T316 PolarHBondContact O-N 2.99Å; F312-T316 PolarHBondContact O-OG1 2.88Å; L313-T316 PolarHBondContact O-N 2.83Å; T316-S318 VanDerWaalsContact C-N 3.34Å; T316-S318 PolarHBondContact O-N 3.1Å; T316-T319 WeakPolarHBondContact O-CB 3.48Å; T316-T319 PolarHBondContact O-N 3.2Å; T316-L320 HydrophobicContact CG2-CD1 4.02Å; T316-L320 HydrophobicContact CG2-CG 4.45Å; T316-L320 VanDerWaalsContact O-CG 3.28Å; T316-L320 WeakPolarHBondContact O-CG 3.49Å; T316-L320 PolarHBondContact O-N 2.84Å
317	L	90	Very high	89	Confident	25 Å²	25	37.9 Å²	37.9	13%	0.131	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-40.3	175.8	-177.8	64.3	0	0	0	112	I31 M49 Y51 L313 N314 T319 L320 R321	I31-L317 HydrophobicContact CD1-CD1 3.89Å; M49-L317 HydrophobicContact SD-CD1 3.81Å; Y51-L317 HydrophobicContact CE2-CD1 4.12Å; Y51-L317 VanDerWaalsContact OH-CD1 3.27Å; Y51-L317 WeakPolarHBondContact OH-CD1 3.4Å; L313-L317 VanDerWaalsContact O-CB 3.32Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 PolarHBondContact O-N 2.96Å; N314-L317 PolarHBondContact O-N 3.46Å; L317-T319 VanDerWaalsContact C-N 3.33Å; L317-L320 PolarHBondContact O-N 3.31Å; L317-R321 VanDerWaalsContact O-CG 3.3Å; L317-R321 WeakPolarHBondContact O-CG 3.39Å; L317-R321 PolarHBondContact O-N 3.39Å
318	S	89.8	Confident	89.1	Confident	39 Å²	39	39.3 Å²	39.3	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-47.2	173.6	-166.4	0	0	0	0	111.1	N314 E315 T316 L320 R321 F322	N314-S318 PolarHBondContact O-N 3.48Å; E315-S318 WeakPolarHBondContact O-CB 3.48Å; E315-S318 PolarHBondContact O-N 3.06Å; T316-S318 VanDerWaalsContact C-N 3.34Å; T316-S318 PolarHBondContact O-N 3.1Å; S318-L320 PolarHBondContact O-N 3.23Å; S318-R321 PolarHBondContact O-N 3.48Å; S318-F322 WeakPolarHBondContact O-CB 3.34Å; S318-F322 PolarHBondContact O-N 2.67Å
319	T	93	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178	-59.3	0	0	0	0	112.7	Y76 A304 I306 E315 T316 L317 F322 A323	Y76-T319 HydrophobicContact CD1-CG2 3.93Å; Y76-T319 HydrophobicContact CE1-CG2 4.18Å; A304-T319 HydrophobicContact CB-CG2 3.96Å; I306-T319 HydrophobicContact CG2-CG2 3.53Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.01Å; E315-T319 PolarHBondContact O-OG1 2.86Å; T316-T319 WeakPolarHBondContact O-CB 3.48Å; T316-T319 PolarHBondContact O-N 3.2Å; L317-T319 VanDerWaalsContact C-N 3.33Å; T319-F322 WeakPolarHBondContact O-CB 3.36Å; T319-F322 PolarHBondContact O-N 3.48Å; T319-A323 VanDerWaalsContact O-CB 3.27Å; T319-A323 WeakPolarHBondContact O-CB 3.46Å; T319-A323 PolarHBondContact O-N 2.88Å
320	L	93.3	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-41.7	177.2	-69.7	170.3	0	0	0	112.1	L7 L21 I31 Y51 F53 I306 T316 L317 S318 A323 S324	L7-L320 HydrophobicContact CD1-CD2 3.64Å; L7-L320 HydrophobicContact CD2-CD2 3.99Å; L21-L320 HydrophobicContact CD2-CD1 4.3Å; I31-L320 HydrophobicContact CD1-CD1 3.55Å; I31-L320 HydrophobicContact CG1-CD1 4.46Å; Y51-L320 HydrophobicContact CD1-CB 4.19Å; Y51-L320 HydrophobicContact CD2-CB 4.07Å; Y51-L320 HydrophobicContact CD2-CD1 4.1Å; Y51-L320 HydrophobicContact CE1-CB 4.15Å; Y51-L320 HydrophobicContact CE2-CB 4.04Å; Y51-L320 HydrophobicContact CE2-CD1 4.25Å; Y51-L320 HydrophobicContact CG-CB 4.14Å; F53-L320 HydrophobicContact CE2-CD2 3.51Å; F53-L320 HydrophobicContact CZ-CD2 3.56Å; I306-L320 HydrophobicContact CD1-CD2 4.47Å; T316-L320 HydrophobicContact CG2-CD1 4.02Å; T316-L320 HydrophobicContact CG2-CG 4.45Å; T316-L320 VanDerWaalsContact O-CG 3.28Å; T316-L320 WeakPolarHBondContact O-CG 3.49Å; T316-L320 PolarHBondContact O-N 2.84Å; L317-L320 PolarHBondContact O-N 3.31Å; S318-L320 PolarHBondContact O-N 3.23Å; L320-A323 PolarHBondContact O-N 2.86Å; L320-S324 VanDerWaalsContact O-CB 3.3Å; L320-S324 WeakPolarHBondContact O-CB 3.34Å; L320-S324 PolarHBondContact O-N 3.47Å
321	R	92.2	Very high	90	Very high	108 Å²	108	40.2 Å²	40.2	41%	0.408	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-41.3	174.7	-71.5	172.1	176.9	179.7	-1.1	111.9	Y51 L317 S318 S324 R325	Y51-R321 HydrophobicContact CE1-CG 4.25Å; Y51-R321 WeakPolarHBondContact OH-CG 3.45Å; L317-R321 VanDerWaalsContact O-CG 3.3Å; L317-R321 WeakPolarHBondContact O-CG 3.39Å; L317-R321 PolarHBondContact O-N 3.39Å; S318-R321 PolarHBondContact O-N 3.48Å; R321-S324 PolarHBondContact O-N 3.01Å; R321-R325 WeakPolarHBondContact O-CG 3.1Å; R321-R325 PolarHBondContact O-N 2.72Å
322	F	92.7	Very high	90.2	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-53.1	174.6	177.4	-94.5	0	0	0	111.5	Y76 L264 E265 I268 L302 S318 T319 S324 R325 A326	Y76-F322 HydrophobicContact CD1-CB 4.49Å; Y76-F322 AromaticContact CD1-CD1 3.53Å; Y76-F322 HydrophobicContact CD1-CD1 3.53Å; Y76-F322 AromaticContact CD1-CE1 3.92Å; Y76-F322 HydrophobicContact CD1-CE1 3.92Å; Y76-F322 HydrophobicContact CD1-CG 4.08Å; Y76-F322 HydrophobicContact CD2-CD1 4.07Å; Y76-F322 AromaticContact CD2-CE1 3.68Å; Y76-F322 HydrophobicContact CD2-CE1 3.68Å; Y76-F322 HydrophobicContact CD2-CE2 4.36Å; Y76-F322 AromaticContact CD2-CZ 3.83Å; Y76-F322 HydrophobicContact CD2-CZ 3.83Å; Y76-F322 HydrophobicContact CE1-CB 3.93Å; Y76-F322 AromaticContact CE1-CD1 3.73Å; Y76-F322 HydrophobicContact CE1-CD1 3.73Å; Y76-F322 HydrophobicContact CE1-CD2 4.41Å; Y76-F322 HydrophobicContact CE1-CE1 4.33Å; Y76-F322 AromaticContact CE1-CG 3.77Å; Y76-F322 HydrophobicContact CE1-CG 3.77Å; Y76-F322 HydrophobicContact CE2-CD1 4.19Å; Y76-F322 HydrophobicContact CE2-CD2 4.16Å; Y76-F322 HydrophobicContact CE2-CE1 4.06Å; Y76-F322 HydrophobicContact CE2-CE2 4.01Å; Y76-F322 HydrophobicContact CE2-CG 4.23Å; Y76-F322 AromaticContact CE2-CZ 3.96Å; Y76-F322 HydrophobicContact CE2-CZ 3.96Å; Y76-F322 AromaticContact CG-CD1 3.73Å; Y76-F322 HydrophobicContact CG-CD1 3.73Å; Y76-F322 AromaticContact CG-CE1 3.59Å; Y76-F322 HydrophobicContact CG-CE1 3.59Å; Y76-F322 HydrophobicContact CG-CG 4.48Å; Y76-F322 HydrophobicContact CG-CZ 4.23Å; Y76-F322 AromaticContact CZ-CD2 3.99Å; Y76-F322 AromaticContact CZ-CG 3.81Å; L264-F322 HydrophobicContact CD2-CZ 4.09Å; L264-F322 HydrophobicContact CG-CE2 4.41Å; L264-F322 HydrophobicContact CG-CZ 4.26Å; E265-F322 HydrophobicContact CG-CD2 3.69Å; E265-F322 HydrophobicContact CG-CE2 3.74Å; I268-F322 HydrophobicContact CD1-CD2 4.41Å; I268-F322 HydrophobicContact CD1-CE1 4.12Å; I268-F322 HydrophobicContact CD1-CE2 3.39Å; I268-F322 HydrophobicContact CD1-CZ 3.2Å; L302-F322 HydrophobicContact CD1-CE1 4.03Å; L302-F322 HydrophobicContact CD2-CD1 3.97Å; L302-F322 HydrophobicContact CD2-CE1 3.7Å; S318-F322 WeakPolarHBondContact O-CB 3.34Å; S318-F322 PolarHBondContact O-N 2.67Å; T319-F322 WeakPolarHBondContact O-CB 3.36Å; T319-F322 PolarHBondContact O-N 3.48Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 3.35Å; F322-R325 PolarHBondContact O-N 2.91Å; F322-R325 VanDerWaalsContact O-N 3.14Å; F322-A326 PolarHBondContact O-N 3.43Å
323	A	94	Very high	90.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-40.7	179.1	0	0	0	0	0	111.9	V5 F53 L302 A304 T319 L320 R325 A326 M327	V5-A323 HydrophobicContact CG1-CB 3.85Å; F53-A323 HydrophobicContact CD1-CB 4.36Å; F53-A323 HydrophobicContact CE1-CB 3.51Å; F53-A323 HydrophobicContact CZ-CB 4.07Å; L302-A323 HydrophobicContact CD2-CB 4.42Å; A304-A323 HydrophobicContact CB-CB 3.74Å; T319-A323 VanDerWaalsContact O-CB 3.27Å; T319-A323 WeakPolarHBondContact O-CB 3.46Å; T319-A323 PolarHBondContact O-N 2.88Å; L320-A323 PolarHBondContact O-N 2.86Å; A323-R325 VanDerWaalsContact C-N 3.33Å; A323-R325 PolarHBondContact O-N 3.33Å; A323-A326 PolarHBondContact O-N 3.11Å; A323-M327 PolarHBondContact O-N 3.22Å
324	S	93.2	Very high	90.3	Very high	47 Å²	47	44.1 Å²	44.1	33%	0.329	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-41.7	175.7	-173.7	0	0	0	0	112.9	L320 R321 F322	L320-S324 VanDerWaalsContact O-CB 3.3Å; L320-S324 WeakPolarHBondContact O-CB 3.34Å; L320-S324 PolarHBondContact O-N 3.47Å; R321-S324 PolarHBondContact O-N 3.01Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 3.35Å
325	R	92.3	Very high	90.4	Very high	106 Å²	106	44.6 Å²	44.6	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-72.4	-36.5	178.1	-69.5	168.7	-179.2	141.6	0.2	112.1	I268 L269 R321 F322 A323 M327 S328	I268-R325 HydrophobicContact CG2-CB 4.12Å; L269-R325 HydrophobicContact CD2-CG 4.49Å; R321-R325 WeakPolarHBondContact O-CG 3.1Å; R321-R325 PolarHBondContact O-N 2.72Å; F322-R325 PolarHBondContact O-N 2.91Å; F322-R325 VanDerWaalsContact O-N 3.14Å; A323-R325 VanDerWaalsContact C-N 3.33Å; A323-R325 PolarHBondContact O-N 3.33Å; R325-M327 PolarHBondContact O-N 3.29Å; R325-S328 WeakPolarHBondContact O-CB 3.47Å; R325-S328 PolarHBondContact O-N 3.33Å
326	A	92.8	Very high	90.2	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-33.1	179.4	0	0	0	0	0	112.7	V5 L302 F322 A323 S328 I329	V5-A326 HydrophobicContact CG2-CB 4.19Å; L302-A326 HydrophobicContact CD2-CB 3.51Å; F322-A326 PolarHBondContact O-N 3.43Å; A323-A326 PolarHBondContact O-N 3.11Å; A326-S328 PolarHBondContact O-N 2.86Å; A326-I329 HydrophobicContact CB-CD1 4.34Å; A326-I329 WeakPolarHBondContact O-CB 3.35Å; A326-I329 WeakPolarHBondContact O-CG1 3.32Å; A326-I329 PolarHBondContact O-N 2.86Å; A326-I329 VanDerWaalsContact O-N 3.12Å
327	M	92.1	Very high	90	Very high	38 Å²	38	51.4 Å²	51.4	19%	0.187	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.1	174.7	-77.2	-175.8	-71.6	0	0	114.1	S2 V5 K52 F53 A323 R325 I329	S2-M327 WeakPolarHBondContact CB-O 3.42Å; S2-M327 PolarHBondContact OG-O 3.12Å; V5-M327 HydrophobicContact CB-CG 3.51Å; V5-M327 HydrophobicContact CB-SD 4.2Å; V5-M327 HydrophobicContact CG1-CG 4.39Å; V5-M327 HydrophobicContact CG2-CB 4.25Å; V5-M327 HydrophobicContact CG2-CG 3.28Å; K52-M327 WeakPolarHBondContact O-CE 3.37Å; K52-M327 VanDerWaalsContact O-SD 3.35Å; F53-M327 HydrophobicContact CD1-CE 3.53Å; F53-M327 HydrophobicContact CD1-SD 3.97Å; F53-M327 HydrophobicContact CE1-CE 3.74Å; A323-M327 PolarHBondContact O-N 3.22Å; R325-M327 PolarHBondContact O-N 3.29Å; M327-I329 VanDerWaalsContact C-N 3.33Å
328	S	90.8	Very high	89.5	Confident	75 Å²	75	54.7 Å²	54.7	52%	0.524	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.4	179.1	-55.8	0	0	0	0	113.2	R325 A326 P330	R325-S328 WeakPolarHBondContact O-CB 3.47Å; R325-S328 PolarHBondContact O-N 3.33Å; A326-S328 PolarHBondContact O-N 2.86Å; S328-P330 WeakPolarHBondContact O-CD 3.43Å
329	I	92	Very high	89	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	29%	0.292	C	S	.	.	S	Bend	trans	-72.2	123.9	-179.5	-60.2	169.6	0	0	0	109.7	S2 V3 I268 L271 I294 A326 M327	S2-I329 CarbonylContact C-O 3.58Å; S2-I329 WeakPolarHBondContact CA-O 3.43Å; S2-I329 VanDerWaalsContact CB-O 3.27Å; S2-I329 WeakPolarHBondContact CB-O 3.46Å; V3-I329 HydrophobicContact CB-CB 4.41Å; V3-I329 HydrophobicContact CG2-CB 3.75Å; V3-I329 HydrophobicContact CG2-CD1 4.41Å; V3-I329 HydrophobicContact CG2-CG2 3.84Å; V3-I329 PolarHBondContact N-O 3.22Å; I268-I329 HydrophobicContact CB-CD1 4.22Å; I268-I329 HydrophobicContact CG1-CD1 3.82Å; I268-I329 HydrophobicContact CG2-CD1 3.89Å; I268-I329 HydrophobicContact CG2-CG1 4.3Å; L271-I329 HydrophobicContact CB-CG1 4.24Å; L271-I329 HydrophobicContact CB-CG2 4.24Å; L271-I329 HydrophobicContact CD1-CG2 4.44Å; I294-I329 HydrophobicContact CG2-CD1 4.18Å; A326-I329 HydrophobicContact CB-CD1 4.34Å; A326-I329 WeakPolarHBondContact O-CB 3.35Å; A326-I329 WeakPolarHBondContact O-CG1 3.32Å; A326-I329 PolarHBondContact O-N 2.86Å; A326-I329 VanDerWaalsContact O-N 3.12Å; M327-I329 VanDerWaalsContact C-N 3.33Å
330	P	89.7	Confident	88.2	Confident	81 Å²	81	59 Å²	59	53%	0.526	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-70.4	134.9	175.3	28.7	-33.2	0	0	0	111.4	L271 S328	L271-P330 WeakPolarHBondContact O-CD 3.28Å; S328-P330 WeakPolarHBondContact O-CD 3.43Å
331	S	87.2	Confident	87.5	Confident	8 Å²	8	63.1 Å²	63.1	6%	0.056	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-126.8	129.3	173.9	173.3	0	0	0	0	110	M1 C298	M1-S331 PolarHBondContact O-N 3.44Å; C298-S331 PolarHBondContact O-OG 2.66Å
332	K	86.9	Confident	86.8	Confident	141 Å²	141	64.5 Å²	64.5	61%	0.613	34%	0.342	S	S	*	.			trans	-126.1	83.9	174.5	-172.2	-167.8	175.9	-147.2	0	108.8	G296 R297 E334	G296-K332 CarbonylContact O-C 3.55Å; G296-K332 PolarHBondContact O-N 3.2Å; R297-K332 WeakPolarHBondContact CA-O 3.17Å; K332-E334 IonicContact NZ-OE1 3.89Å; K332-E334 PolarHBondContact NZ-OE1 2.96Å; K332-E334 PolarHBondContact O-N 3.49Å
333	P	86.4	Confident	86.1	Confident	55 Å²	55	65.6 Å²	65.6	36%	0.357	35%	0.352	S	S	.	.			trans	-58.8	130.2	179.4	-23.6	34.7	0	0	0	111.7	R297 Q299	R297-P333 WeakPolarHBondContact O-CA 2.89Å; Q299-P333 HydrophobicContact CB-CB 4.16Å; Q299-P333 HydrophobicContact CB-CG 3.71Å; Q299-P333 HydrophobicContact CG-CG 3.79Å
334	E	85.2	Confident	85.6	Confident	71 Å²	71	68.8 Å²	68.8	33%	0.332	37%	0.368	S	S	.	.			trans	-123.7	141	177.8	-70.2	-176.3	172.9	0	0	110.6	R297 K332 N336	R297-E334 HydrophobicContact CG-CB 4.38Å; R297-E334 HydrophobicContact CG-CG 4.39Å; R297-E334 IonicContact CZ-OE2 2.98Å; R297-E334 IonicContact NE-OE2 2.8Å; R297-E334 PolarHBondContact NE-OE2 3.44Å; R297-E334 IonicContact NH1-OE2 2.82Å; R297-E334 PolarHBondContact NH1-OE2 2.97Å; R297-E334 VanDerWaalsContact NH1-OE2 3.16Å; R297-E334 IonicContact NH2-OE2 3.76Å; R297-E334 PolarHBondContact O-N 3.16Å; K332-E334 IonicContact NZ-OE1 3.89Å; K332-E334 PolarHBondContact NZ-OE1 2.96Å; K332-E334 PolarHBondContact O-N 3.49Å; E334-N336 PolarHBondContact O-N 3.34Å
335	V	85.8	Confident	85.2	Confident	105 Å²	105	70.7 Å²	70.7	64%	0.636	37%	0.374	S	S	*	.			trans	-73.4	118.4	178.1	-173.7	0	0	0	0	109.1	Q337	V335-Q337 HydrophobicContact CB-CG 4.43Å; V335-Q337 HydrophobicContact CG1-CG 3.75Å; V335-Q337 PolarHBondContact O-N 2.92Å; V335-Q337 VanDerWaalsContact O-N 3.07Å
336	N	85.3	Confident	84.9	Confident	62 Å²	62	72.4 Å²	72.4	33%	0.332	38%	0.384	S	S	.	.			trans	-79.4	91.9	178.2	-68	-29.5	0	0	0	110.2	C227 R297 E334	C227-N336 PolarHBondContact N-O 2.86Å; C227-N336 WeakPolarHBondContact O-CB 3.37Å; R297-N336 PolarHBondContact NH2-OD1 3.27Å; E334-N336 PolarHBondContact O-N 3.34Å
337	Q	85	Confident	84.6	Confident	106 Å²	106	77.9 Å²	77.9	50%	0.495	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.2	174.6	-57.6	-174.5	10.6	0	0	109.6	K226 V335	K226-Q337 HydrophobicContact CG-CG 4.37Å; V335-Q337 HydrophobicContact CB-CG 4.43Å; V335-Q337 HydrophobicContact CG1-CG 3.75Å; V335-Q337 PolarHBondContact O-N 2.92Å; V335-Q337 VanDerWaalsContact O-N 3.07Å
338	M	81.2	Confident	84.5	Confident	93 Å²	93	80.8 Å²	80.8	46%	0.458	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.2	168.5	-63	-176	67	0	0	107	I225	I225-M338 CarbonylContact C-O 3.25Å; I225-M338 WeakPolarHBondContact CA-O 3.17Å; I225-M338 HydrophobicContact CB-CB 4.46Å; I225-M338 WeakPolarHBondContact CB-O 3.49Å; I225-M338 PolarHBondContact N-O 3.45Å; I225-M338 PolarHBondContact O-N 3.27Å
339	H	78.2	Confident	84.5	Confident	90 Å²	90	83.9 Å²	83.9	42%	0.417	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.4	169.4	-71.2	-77.5	0	0	0	108.2	N222 P341 I344	N222-H339 PolarHBondContact O-ND1 3.46Å; H339-P341 VanDerWaalsContact O-CD 3.27Å; H339-P341 WeakPolarHBondContact O-CD 3.43Å; H339-P341 VanDerWaalsContact O-N 3.13Å; H339-I344 HydrophobicContact CB-CD1 3.22Å; H339-I344 HydrophobicContact CB-CG1 3.47Å; H339-I344 VanDerWaalsContact CB-CG1 3.47Å
340	D	76.4	Confident	84.4	Confident	42 Å²	42	88.7 Å²	88.7	23%	0.225	45%	0.453	C	S	.	.			trans	-55.8	120.2	171.8	174.2	19.1	0	0	0	109	G223 I225 M342 A343 I344	G223-D340 PolarHBondContact O-N 2.89Å; G223-D340 VanDerWaalsContact O-N 3.13Å; I225-D340 HydrophobicContact CD1-CB 3.9Å; I225-D340 HydrophobicContact CG1-CB 4.36Å; D340-M342 PolarHBondContact O-N 2.79Å; D340-M342 VanDerWaalsContact O-N 3.14Å; D340-M342 PolarHBondContact OD1-N 2.92Å; D340-A343 HydrophobicContact CB-CB 3.79Å; D340-A343 PolarHBondContact O-N 2.99Å; D340-A343 VanDerWaalsContact O-N 3.11Å; D340-A343 PolarHBondContact OD2-N 3.15Å; D340-I344 WeakPolarHBondContact O-CG1 2.99Å; D340-I344 PolarHBondContact O-N 3.36Å
341	P	77.6	Confident	84.5	Confident	85 Å²	85	87.4 Å²	87.4	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-52.4	-36.8	176.7	-26.1	34.2	0	0	0	112	H339 I345	H339-P341 VanDerWaalsContact O-CD 3.27Å; H339-P341 WeakPolarHBondContact O-CD 3.43Å; H339-P341 VanDerWaalsContact O-N 3.13Å; P341-I345 WeakPolarHBondContact O-CB 3.46Å; P341-I345 VanDerWaalsContact O-CD1 3.31Å; P341-I345 WeakPolarHBondContact O-CD1 3.48Å; P341-I345 WeakPolarHBondContact O-CG1 3.33Å; P341-I345 PolarHBondContact O-N 2.81Å
342	M	78.8	Confident	84.8	Confident	138 Å²	138	91.4 Å²	91.4	68%	0.68	47%	0.467	S	S	*	.	H	α-helix	trans	-70.5	-43.2	179.8	-63	-175.1	-69.9	0	0	112	D340 I345 K346	D340-M342 PolarHBondContact O-N 2.79Å; D340-M342 VanDerWaalsContact O-N 3.14Å; D340-M342 PolarHBondContact OD1-N 2.92Å; M342-I345 PolarHBondContact O-N 2.86Å; M342-K346 WeakPolarHBondContact O-CB 3.33Å; M342-K346 PolarHBondContact O-N 3.03Å
343	A	78.3	Confident	85.1	Confident	28 Å²	28	87.6 Å²	87.6	23%	0.231	46%	0.462	C	S	.	.	H	α-helix	trans	-61	-43.9	174.4	0	0	0	0	0	112.1	D340 K346 K347	D340-A343 HydrophobicContact CB-CB 3.79Å; D340-A343 PolarHBondContact O-N 2.99Å; D340-A343 VanDerWaalsContact O-N 3.11Å; D340-A343 PolarHBondContact OD2-N 3.15Å; A343-K346 PolarHBondContact O-N 3.43Å; A343-K347 WeakPolarHBondContact O-CB 3.44Å; A343-K347 PolarHBondContact O-N 2.58Å
344	I	81.8	Confident	85.4	Confident	67 Å²	67	88.7 Å²	88.7	34%	0.344	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-49.3	175.1	-61.3	165.7	0	0	0	110.4	H339 D340 K346 K347 L348	H339-I344 HydrophobicContact CB-CD1 3.22Å; H339-I344 HydrophobicContact CB-CG1 3.47Å; H339-I344 VanDerWaalsContact CB-CG1 3.47Å; D340-I344 WeakPolarHBondContact O-CG1 2.99Å; D340-I344 PolarHBondContact O-N 3.36Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 2.81Å; I344-K347 PolarHBondContact O-N 3.28Å; I344-L348 HydrophobicContact CG2-CD1 3.68Å; I344-L348 HydrophobicContact CG2-CG 4.05Å; I344-L348 WeakPolarHBondContact O-CB 3.47Å; I344-L348 WeakPolarHBondContact O-CG 3.2Å; I344-L348 PolarHBondContact O-N 2.47Å
345	I	86.4	Confident	85.8	Confident	87 Å²	87	89.7 Å²	89.7	45%	0.446	48%	0.478	S	S	.	.	H	α-helix	trans	-59.5	-42.5	-179.6	-72.8	164.4	0	0	0	110.4	P341 M342 K349	P341-I345 WeakPolarHBondContact O-CB 3.46Å; P341-I345 VanDerWaalsContact O-CD1 3.31Å; P341-I345 WeakPolarHBondContact O-CD1 3.48Å; P341-I345 WeakPolarHBondContact O-CG1 3.33Å; P341-I345 PolarHBondContact O-N 2.81Å; M342-I345 PolarHBondContact O-N 2.86Å; I345-K349 HydrophobicContact CG2-CD 4.05Å; I345-K349 HydrophobicContact CG2-CG 4.43Å; I345-K349 WeakPolarHBondContact O-CB 3.4Å; I345-K349 VanDerWaalsContact O-CG 3.24Å; I345-K349 WeakPolarHBondContact O-CG 3.19Å; I345-K349 PolarHBondContact O-N 2.89Å
346	K	85.8	Confident	86	Confident	143 Å²	143	88.6 Å²	88.6	62%	0.622	47%	0.468	S	S	*	.	H	α-helix	trans	-63.3	-45.4	176.8	-172.3	179.2	179.9	-177.8	0	111.5	M342 A343 I344 K349 N350	M342-K346 WeakPolarHBondContact O-CB 3.33Å; M342-K346 PolarHBondContact O-N 3.03Å; A343-K346 PolarHBondContact O-N 3.43Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 2.81Å; K346-K349 PolarHBondContact O-N 2.8Å; K346-N350 PolarHBondContact O-N 3.16Å
347	K	85.3	Confident	86.2	Confident	118 Å²	118	95.4 Å²	95.4	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-47.8	176.8	-171.2	174.3	-177.2	173.9	0	111.4	N222 A343 I344 K349 N350 S351	N222-K347 PolarHBondContact OD1-NZ 3.11Å; A343-K347 WeakPolarHBondContact O-CB 3.44Å; A343-K347 PolarHBondContact O-N 2.58Å; I344-K347 PolarHBondContact O-N 3.28Å; K347-K349 VanDerWaalsContact C-N 3.35Å; K347-K349 PolarHBondContact O-N 3.15Å; K347-N350 PolarHBondContact O-N 2.75Å; K347-S351 WeakPolarHBondContact O-CB 3.11Å; K347-S351 PolarHBondContact O-N 3.17Å; K347-S351 PolarHBondContact O-OG 3.24Å
348	L	90.4	Very high	86.4	Confident	98 Å²	98	94.7 Å²	94.7	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.9	-71.9	176.3	0	0	0	112.1	I344 N352	I344-L348 HydrophobicContact CG2-CD1 3.68Å; I344-L348 HydrophobicContact CG2-CG 4.05Å; I344-L348 WeakPolarHBondContact O-CB 3.47Å; I344-L348 WeakPolarHBondContact O-CG 3.2Å; I344-L348 PolarHBondContact O-N 2.47Å; L348-N352 VanDerWaalsContact O-CB 3.24Å; L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å; L348-N352 PolarHBondContact O-ND2 3.46Å
349	K	90.5	Very high	86.8	Confident	141 Å²	141	93.9 Å²	93.9	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-45.5	174.7	-78.8	177.6	177.3	-175.6	0	111.8	I345 K346 K347 N352 A353	I345-K349 HydrophobicContact CG2-CD 4.05Å; I345-K349 HydrophobicContact CG2-CG 4.43Å; I345-K349 WeakPolarHBondContact O-CB 3.4Å; I345-K349 VanDerWaalsContact O-CG 3.24Å; I345-K349 WeakPolarHBondContact O-CG 3.19Å; I345-K349 PolarHBondContact O-N 2.89Å; K346-K349 PolarHBondContact O-N 2.8Å; K347-K349 VanDerWaalsContact C-N 3.35Å; K347-K349 PolarHBondContact O-N 3.15Å; K349-N352 PolarHBondContact O-N 3.35Å; K349-A353 WeakPolarHBondContact O-CB 3.26Å; K349-A353 PolarHBondContact O-N 3.25Å
350	N	91.4	Very high	87.2	Confident	103 Å²	103	95 Å²	95	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-44.8	178.6	-70.8	-5.5	0	0	0	112.1	K346 K347 N352 A353 S354	K346-N350 PolarHBondContact O-N 3.16Å; K347-N350 PolarHBondContact O-N 2.75Å; N350-N352 PolarHBondContact O-N 2.91Å; N350-A353 PolarHBondContact O-N 2.98Å; N350-S354 PolarHBondContact O-N 2.8Å
351	S	91.3	Very high	87.7	Confident	55 Å²	55	97.9 Å²	97.9	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-43.5	175.6	-66.5	0	0	0	0	111.5	K347 A353 S354 L355	K347-S351 WeakPolarHBondContact O-CB 3.11Å; K347-S351 PolarHBondContact O-N 3.17Å; K347-S351 PolarHBondContact O-OG 3.24Å; S351-A353 PolarHBondContact O-N 3.31Å; S351-S354 PolarHBondContact O-N 2.95Å; S351-L355 WeakPolarHBondContact O-CB 3.09Å; S351-L355 VanDerWaalsContact O-CG 3.27Å; S351-L355 WeakPolarHBondContact O-CG 3.44Å; S351-L355 PolarHBondContact O-N 3.02Å
352	N	93.4	Very high	88.1	Confident	91 Å²	91	99.7 Å²	99.7	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-41.1	175.7	-75.3	-13.4	0	0	0	112	L348 K349 N350 L355 L356	L348-N352 VanDerWaalsContact O-CB 3.24Å; L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å; L348-N352 PolarHBondContact O-ND2 3.46Å; K349-N352 PolarHBondContact O-N 3.35Å; N350-N352 PolarHBondContact O-N 2.91Å; N352-L355 PolarHBondContact O-N 3.29Å; N352-L356 WeakPolarHBondContact O-CB 3.4Å; N352-L356 WeakPolarHBondContact O-CG 3.28Å; N352-L356 PolarHBondContact O-N 3.36Å
353	A	91.8	Very high	88.4	Confident	61 Å²	61	93.8 Å²	93.8	50%	0.504	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-41.1	175.5	0	0	0	0	0	112.1	K349 N350 S351 R357	K349-A353 WeakPolarHBondContact O-CB 3.26Å; K349-A353 PolarHBondContact O-N 3.25Å; N350-A353 PolarHBondContact O-N 2.98Å; S351-A353 PolarHBondContact O-N 3.31Å; A353-R357 WeakPolarHBondContact O-CB 3.33Å; A353-R357 PolarHBondContact O-N 3.02Å
354	S	93.6	Very high	88.8	Confident	79 Å²	79	95.7 Å²	95.7	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-64.6	-45.7	175.5	-168.7	0	0	0	0	111.9	N350 S351 R357 E358	N350-S354 PolarHBondContact O-N 2.8Å; S351-S354 PolarHBondContact O-N 2.95Å; S354-R357 WeakPolarHBondContact O-CB 3.33Å; S354-R357 PolarHBondContact O-N 2.91Å; S354-E358 WeakPolarHBondContact O-CB 2.91Å; S354-E358 PolarHBondContact O-N 3.31Å
355	L	94.3	Very high	89	Confident	91 Å²	91	98.3 Å²	98.3	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-42.3	177.2	-75	165.9	0	0	0	111.7	S351 N352 R357 E358 L359	S351-L355 WeakPolarHBondContact O-CB 3.09Å; S351-L355 VanDerWaalsContact O-CG 3.27Å; S351-L355 WeakPolarHBondContact O-CG 3.44Å; S351-L355 PolarHBondContact O-N 3.02Å; N352-L355 PolarHBondContact O-N 3.29Å; L355-R357 VanDerWaalsContact C-N 3.32Å; L355-R357 PolarHBondContact O-N 3.34Å; L355-E358 PolarHBondContact O-N 3.28Å; L355-L359 WeakPolarHBondContact O-CB 3.44Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.37Å; L355-L359 PolarHBondContact O-N 3.28Å
356	L	89.8	Confident	89.1	Confident	82 Å²	82	98.8 Å²	98.8	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-39.4	175.5	-75.8	170.6	0	0	0	111.8	N352 F360 Y373	N352-L356 WeakPolarHBondContact O-CB 3.4Å; N352-L356 WeakPolarHBondContact O-CG 3.28Å; N352-L356 PolarHBondContact O-N 3.36Å; L356-F360 VanDerWaalsContact O-CB 3.3Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.06Å; L356-Y373 HydrophobicContact CD2-CD1 4.39Å; L356-Y373 HydrophobicContact CD2-CD2 4.43Å; L356-Y373 HydrophobicContact CD2-CG 3.94Å
357	R	88.6	Confident	88.7	Confident	206 Å²	206	99.5 Å²	99.5	78%	0.777	51%	0.505	S	S	*	.	H	α-helix	trans	-65.4	-42.4	174.9	-176.3	178.4	177.7	148.4	0.5	111.9	A353 S354 L355 F360 M361	A353-R357 WeakPolarHBondContact O-CB 3.33Å; A353-R357 PolarHBondContact O-N 3.02Å; S354-R357 WeakPolarHBondContact O-CB 3.33Å; S354-R357 PolarHBondContact O-N 2.91Å; L355-R357 VanDerWaalsContact C-N 3.32Å; L355-R357 PolarHBondContact O-N 3.34Å; R357-F360 PolarHBondContact O-N 3.46Å; R357-M361 PolarHBondContact O-N 3.35Å
358	E	90.6	Very high	88.3	Confident	90 Å²	90	101.1 Å²	101.1	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-46	176.9	-174.4	173.4	-177.8	0	0	111.3	S354 L355 F360 M361 Y362	S354-E358 WeakPolarHBondContact O-CB 2.91Å; S354-E358 PolarHBondContact O-N 3.31Å; L355-E358 PolarHBondContact O-N 3.28Å; E358-F360 PolarHBondContact O-N 3.14Å; E358-M361 WeakPolarHBondContact O-CB 3.4Å; E358-M361 PolarHBondContact O-N 2.83Å; E358-Y362 HydrophobicContact CG-CD2 3.84Å; E358-Y362 HydrophobicContact CG-CE2 3.64Å; E358-Y362 VanDerWaalsContact O-CD2 3.26Å; E358-Y362 WeakPolarHBondContact O-CD2 3.18Å; E358-Y362 PolarHBondContact O-N 3.37Å
359	L	88.2	Confident	87.3	Confident	77 Å²	77	98.7 Å²	98.7	40%	0.403	51%	0.506	S	S	.	.	H	α-helix	trans	-58.9	-45.5	173.9	-74.8	171.8	0	0	0	111.9	L355 M361 Y362 D363 Y373	L355-L359 WeakPolarHBondContact O-CB 3.44Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.37Å; L355-L359 PolarHBondContact O-N 3.28Å; L359-M361 VanDerWaalsContact C-N 3.28Å; L359-M361 PolarHBondContact O-N 3.17Å; L359-Y362 PolarHBondContact O-N 3Å; L359-D363 WeakPolarHBondContact O-CB 3.15Å; L359-D363 PolarHBondContact O-N 3.34Å; L359-Y373 HydrophobicContact CB-CE2 4.18Å; L359-Y373 HydrophobicContact CD1-CE1 4.47Å
360	F	86.3	Confident	86.3	Confident	112 Å²	112	100.2 Å²	100.2	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-60.1	-39.2	176.4	-175.2	-96.9	0	0	0	112.1	L356 R357 E358 T364	L356-F360 VanDerWaalsContact O-CB 3.3Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.06Å; R357-F360 PolarHBondContact O-N 3.46Å; E358-F360 PolarHBondContact O-N 3.14Å; F360-T364 WeakPolarHBondContact O-CB 3.26Å; F360-T364 PolarHBondContact O-N 3.44Å; F360-T364 PolarHBondContact O-OG1 3.29Å
361	M	87.2	Confident	85.3	Confident	103 Å²	103	96.4 Å²	96.4	51%	0.507	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-46.9	175.1	-172.9	-177.9	72.6	0	0	111.5	R357 E358 L359 D363 T364 L365	R357-M361 PolarHBondContact O-N 3.35Å; E358-M361 WeakPolarHBondContact O-CB 3.4Å; E358-M361 PolarHBondContact O-N 2.83Å; L359-M361 VanDerWaalsContact C-N 3.28Å; L359-M361 PolarHBondContact O-N 3.17Å; M361-D363 VanDerWaalsContact C-N 3.34Å; M361-D363 PolarHBondContact O-N 3.3Å; M361-T364 PolarHBondContact O-N 3.27Å; M361-L365 HydrophobicContact CG-CD1 4.18Å; M361-L365 WeakPolarHBondContact O-CB 3.37Å; M361-L365 VanDerWaalsContact O-CG 3.29Å; M361-L365 WeakPolarHBondContact O-CG 3.24Å; M361-L365 PolarHBondContact O-N 2.94Å
362	Y	85.9	Confident	84.5	Confident	124 Å²	124	97.4 Å²	97.4	49%	0.486	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-42.1	175.5	-86	-70.1	0	0	0	112.6	E358 L359 L365 N366	E358-Y362 HydrophobicContact CG-CD2 3.84Å; E358-Y362 HydrophobicContact CG-CE2 3.64Å; E358-Y362 VanDerWaalsContact O-CD2 3.26Å; E358-Y362 WeakPolarHBondContact O-CD2 3.18Å; E358-Y362 PolarHBondContact O-N 3.37Å; L359-Y362 PolarHBondContact O-N 3Å; Y362-L365 PolarHBondContact O-N 2.91Å; Y362-N366 WeakPolarHBondContact O-CB 3.45Å; Y362-N366 PolarHBondContact O-N 3.32Å; Y362-N366 PolarHBondContact O-ND2 2.78Å
363	D	85.9	Confident	83.8	Confident	13 Å²	13	97.6 Å²	97.6	7%	0.07	49%	0.491	C	S	.	.	H	α-helix	trans	-67.6	-41.3	177.3	-76.4	-34.6	0	0	0	111.5	L359 M361 L365 N366 N367 R368 Y373	L359-D363 WeakPolarHBondContact O-CB 3.15Å; L359-D363 PolarHBondContact O-N 3.34Å; M361-D363 VanDerWaalsContact C-N 3.34Å; M361-D363 PolarHBondContact O-N 3.3Å; D363-L365 PolarHBondContact O-N 3.28Å; D363-N366 CarbonylContact O-C 3.54Å; D363-N366 PolarHBondContact O-N 3.36Å; D363-N367 PolarHBondContact O-N 3.34Å; D363-R368 HydrophobicContact CB-CB 3.98Å; D363-R368 CarbonylContact O-C 3.53Å; D363-R368 WeakPolarHBondContact O-CA 3.27Å; D363-R368 WeakPolarHBondContact O-CB 3.47Å; D363-R368 PolarHBondContact O-N 2.85Å; D363-Y373 WeakPolarHBondContact OD2-CE2 3.42Å; D363-Y373 VanDerWaalsContact OD2-CZ 3.31Å; D363-Y373 PolarHBondContact OD2-OH 3.48Å
364	T	85.5	Confident	83.1	Confident	68 Å²	68	101.5 Å²	101.5	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-45.1	175.8	-56.9	0	0	0	0	111.2	F360 M361 N366 N367	F360-T364 WeakPolarHBondContact O-CB 3.26Å; F360-T364 PolarHBondContact O-N 3.44Å; F360-T364 PolarHBondContact O-OG1 3.29Å; M361-T364 PolarHBondContact O-N 3.27Å; T364-N366 VanDerWaalsContact C-N 3.27Å; T364-N366 PolarHBondContact O-N 3.04Å; T364-N367 PolarHBondContact O-N 2.97Å
365	L	87.6	Confident	82.5	Confident	123 Å²	123	102.9 Å²	102.9	64%	0.644	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-29.5	177.3	-70.5	173.3	0	0	0	113	M361 Y362 D363 N367	M361-L365 HydrophobicContact CG-CD1 4.18Å; M361-L365 WeakPolarHBondContact O-CB 3.37Å; M361-L365 VanDerWaalsContact O-CG 3.29Å; M361-L365 WeakPolarHBondContact O-CG 3.24Å; M361-L365 PolarHBondContact O-N 2.94Å; Y362-L365 PolarHBondContact O-N 2.91Å; D363-L365 PolarHBondContact O-N 3.28Å; L365-N367 VanDerWaalsContact C-N 3.33Å
366	N	87	Confident	81.9	Confident	97 Å²	97	99.6 Å²	99.6	52%	0.519	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	14.4	177.1	-71	-39.1	0	0	0	113.8	Y362 D363 T364 R368	Y362-N366 WeakPolarHBondContact O-CB 3.45Å; Y362-N366 PolarHBondContact O-N 3.32Å; Y362-N366 PolarHBondContact O-ND2 2.78Å; D363-N366 CarbonylContact O-C 3.54Å; D363-N366 PolarHBondContact O-N 3.36Å; T364-N366 VanDerWaalsContact C-N 3.27Å; T364-N366 PolarHBondContact O-N 3.04Å; N366-R368 HydrophobicContact CB-CG 4.31Å; N366-R368 PolarHBondContact O-N 2.82Å
367	N	79.1	Confident	81.7	Confident	158 Å²	158	99.7 Å²	99.7	85%	0.845	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	25.5	-175.6	-60	-50.4	0	0	0	114.5	D363 T364 L365	D363-N367 PolarHBondContact O-N 3.34Å; T364-N367 PolarHBondContact O-N 2.97Å; L365-N367 VanDerWaalsContact C-N 3.33Å
368	R	75.9	Confident	81.7	Confident	151 Å²	151	95.3 Å²	95.3	57%	0.57	48%	0.483	S	S	*	.			trans	-101.9	25.6	176.2	-60.1	-177.8	178.1	-177.2	-1.9	112.9	D363 N366 Q370 I371	D363-R368 HydrophobicContact CB-CB 3.98Å; D363-R368 CarbonylContact O-C 3.53Å; D363-R368 WeakPolarHBondContact O-CA 3.27Å; D363-R368 WeakPolarHBondContact O-CB 3.47Å; D363-R368 PolarHBondContact O-N 2.85Å; N366-R368 HydrophobicContact CB-CG 4.31Å; N366-R368 PolarHBondContact O-N 2.82Å; R368-Q370 PolarHBondContact O-N 2.88Å; R368-I371 HydrophobicContact CB-CD1 3.72Å; R368-I371 HydrophobicContact CB-CG1 4.29Å; R368-I371 HydrophobicContact CG-CD1 4.41Å; R368-I371 WeakPolarHBondContact O-CG1 3.25Å; R368-I371 PolarHBondContact O-N 3.35Å
369	G	70.1	Confident	81.5	Confident	47 Å²	47	99.2 Å²	99.2	49%	0.485	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-6.5	-176.2	0	0	0	0	0	116.2	I371	G369-I371 VanDerWaalsContact C-N 3.26Å
370	Q	69.4	Low	81.4	Confident	173 Å²	173	99.5 Å²	99.5	81%	0.808	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-9	172.9	-61.6	-178.9	6.6	0	0	113.3	R368 N372	R368-Q370 PolarHBondContact O-N 2.88Å; Q370-N372 PolarHBondContact O-N 2.86Å
371	I	70.2	Confident	81.5	Confident	23 Å²	23	96.9 Å²	96.9	12%	0.118	49%	0.487	C	S	.	.			trans	-77.1	107.8	179.7	-60.6	176.2	0	0	0	109.4	R368 G369 Y373 V402 N403	R368-I371 HydrophobicContact CB-CD1 3.72Å; R368-I371 HydrophobicContact CB-CG1 4.29Å; R368-I371 HydrophobicContact CG-CD1 4.41Å; R368-I371 WeakPolarHBondContact O-CG1 3.25Å; R368-I371 PolarHBondContact O-N 3.35Å; G369-I371 VanDerWaalsContact C-N 3.26Å; I371-Y373 HydrophobicContact CG2-CD2 4.38Å; I371-Y373 HydrophobicContact CG2-CE1 4.16Å; I371-Y373 HydrophobicContact CG2-CE2 3.83Å; I371-V402 HydrophobicContact CG1-CG1 4.32Å; I371-N403 HydrophobicContact CG2-CB 4.33Å
372	N	74.4	Confident	81.6	Confident	76 Å²	76	96.1 Å²	96.1	41%	0.406	49%	0.485	S	S	.	.			trans	-99	132.4	168.7	-169.2	-9.1	0	0	0	109.9	Q370 E374 N403	Q370-N372 PolarHBondContact O-N 2.86Å; N372-E374 WeakPolarHBondContact OD1-CB 3.45Å; N372-E374 WeakPolarHBondContact OD1-CG 3.33Å; N372-E374 PolarHBondContact OD1-N 3.39Å; N372-N403 PolarHBondContact O-ND2 3.4Å; N372-N403 VanDerWaalsContact O-ND2 3.15Å
373	Y	77.9	Confident	81.7	Confident	95 Å²	95	97.4 Å²	97.4	37%	0.373	49%	0.493	S	S	.	.			trans	-96.8	-5.1	-179.6	-67.9	-80.2	0	0	0	113.8	L356 L359 D363 I371	L356-Y373 HydrophobicContact CD2-CD1 4.39Å; L356-Y373 HydrophobicContact CD2-CD2 4.43Å; L356-Y373 HydrophobicContact CD2-CG 3.94Å; L359-Y373 HydrophobicContact CB-CE2 4.18Å; L359-Y373 HydrophobicContact CD1-CE1 4.47Å; D363-Y373 WeakPolarHBondContact OD2-CE2 3.42Å; D363-Y373 VanDerWaalsContact OD2-CZ 3.31Å; D363-Y373 PolarHBondContact OD2-OH 3.48Å; I371-Y373 HydrophobicContact CG2-CD2 4.38Å; I371-Y373 HydrophobicContact CG2-CE1 4.16Å; I371-Y373 HydrophobicContact CG2-CE2 3.83Å
374	E	78	Confident	81.9	Confident	143 Å²	143	97.8 Å²	97.8	67%	0.668	50%	0.495	S	S	*	.	S	Bend	trans	-68.6	164.4	176.2	-67.2	180	164	0	0	112.3	N372 L376 Q405	N372-E374 WeakPolarHBondContact OD1-CB 3.45Å; N372-E374 WeakPolarHBondContact OD1-CG 3.33Å; N372-E374 PolarHBondContact OD1-N 3.39Å; E374-L376 PolarHBondContact O-N 2.88Å; E374-Q405 PolarHBondContact O-NE2 2.83Å; E374-Q405 PolarHBondContact O-OE1 2.86Å
375	S	80	Confident	82.1	Confident	109 Å²	109	99.1 Å²	99.1	76%	0.762	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-61.1	129.8	175.5	-66.6	0	0	0	0	111.2	T377	S375-T377 PolarHBondContact O-N 3.39Å
376	L	81.6	Confident	82.2	Confident	21 Å²	21	97.7 Å²	97.7	11%	0.11	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-53.4	125.6	176.5	-73	167.7	0	0	0	110.8	E374 Q380 K381 Q405 Q406 E409	E374-L376 PolarHBondContact O-N 2.88Å; L376-Q380 HydrophobicContact CD2-CB 4.15Å; L376-K381 HydrophobicContact CB-CG 3.96Å; L376-K381 WeakPolarHBondContact O-CE 3.49Å; L376-Q405 HydrophobicContact CD1-CG 3.9Å; L376-Q405 HydrophobicContact CG-CG 4.04Å; L376-Q406 HydrophobicContact CD2-CG 4.31Å; L376-E409 HydrophobicContact CD1-CB 3.8Å; L376-E409 HydrophobicContact CD1-CG 4.09Å
377	T	87.3	Confident	82.3	Confident	85 Å²	85	95.1 Å²	95.1	52%	0.521	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-71.3	153.5	174.1	2.2	0	0	0	0	110.6	S375 K379 Q380 K381	S375-T377 PolarHBondContact O-N 3.39Å; T377-K379 PolarHBondContact O-N 3.42Å; T377-K379 VanDerWaalsContact O-N 3.12Å; T377-Q380 VanDerWaalsContact N-OE1 3.16Å; T377-Q380 WeakPolarHBondContact O-CA 3.41Å; T377-Q380 WeakPolarHBondContact O-CB 3.49Å; T377-Q380 PolarHBondContact O-N 2.5Å; T377-Q380 PolarHBondContact OG1-OE1 2.86Å; T377-K381 PolarHBondContact O-N 3.11Å
378	E	87	Confident	82.8	Confident	113 Å²	113	87.6 Å²	87.6	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-55.3	-34.4	177.2	-68.1	-54.7	123.6	0	0	112.9	Q380 K381 N382	E378-Q380 PolarHBondContact O-N 2.95Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 WeakPolarHBondContact OE1-CD 3.33Å; E378-K381 IonicContact OE1-NZ 3.51Å; E378-K381 PolarHBondContact OE1-NZ 3.46Å; E378-N382 WeakPolarHBondContact O-CB 3.49Å; E378-N382 VanDerWaalsContact O-CG 3.3Å; E378-N382 PolarHBondContact O-N 3.18Å; E378-N382 PolarHBondContact O-ND2 2.83Å
379	K	88.2	Confident	83.5	Confident	173 Å²	173	83.7 Å²	83.7	75%	0.752	43%	0.425	S	S	*	.	H	α-helix	trans	-62	-41.2	173.2	-68.3	-175.9	-179.6	179.2	0	112.6	T377 K383	T377-K379 PolarHBondContact O-N 3.42Å; T377-K379 VanDerWaalsContact O-N 3.12Å; K379-K383 WeakPolarHBondContact O-CG 3.47Å; K379-K383 PolarHBondContact O-N 3.25Å
380	Q	85.8	Confident	84.4	Confident	82 Å²	82	86.1 Å²	86.1	38%	0.383	42%	0.422	S	S	.	.	H	α-helix	trans	-71.2	-40.9	178.4	-67.4	172.7	-24.9	0	0	110.9	L376 T377 E378 N382 K383 L384	L376-Q380 HydrophobicContact CD2-CB 4.15Å; T377-Q380 VanDerWaalsContact N-OE1 3.16Å; T377-Q380 WeakPolarHBondContact O-CA 3.41Å; T377-Q380 WeakPolarHBondContact O-CB 3.49Å; T377-Q380 PolarHBondContact O-N 2.5Å; T377-Q380 PolarHBondContact OG1-OE1 2.86Å; E378-Q380 PolarHBondContact O-N 2.95Å; Q380-N382 PolarHBondContact O-N 3.49Å; Q380-K383 PolarHBondContact O-N 3.4Å; Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.16Å
381	K	87.6	Confident	85.5	Confident	57 Å²	57	82.2 Å²	82.2	25%	0.248	40%	0.4	C	S	.	.	H	α-helix	trans	-59.9	-44.1	173.5	-65.2	-177.7	-174.3	167.4	0	112	L376 T377 E378 L384 R385 E409	L376-K381 HydrophobicContact CB-CG 3.96Å; L376-K381 WeakPolarHBondContact O-CE 3.49Å; T377-K381 PolarHBondContact O-N 3.11Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 WeakPolarHBondContact OE1-CD 3.33Å; E378-K381 IonicContact OE1-NZ 3.51Å; E378-K381 PolarHBondContact OE1-NZ 3.46Å; K381-L384 WeakPolarHBondContact O-CB 3.08Å; K381-L384 PolarHBondContact O-N 3.08Å; K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.07Å; K381-E409 WeakPolarHBondContact CD-OE1 3.18Å; K381-E409 HydrophobicContact CG-CG 4.34Å
382	N	89.5	Confident	86.3	Confident	88 Å²	88	84.7 Å²	84.7	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-39.5	177	-75.1	-19.7	0	0	0	112.5	E378 Q380 L384 R385 N386	E378-N382 WeakPolarHBondContact O-CB 3.49Å; E378-N382 VanDerWaalsContact O-CG 3.3Å; E378-N382 PolarHBondContact O-N 3.18Å; E378-N382 PolarHBondContact O-ND2 2.83Å; Q380-N382 PolarHBondContact O-N 3.49Å; N382-L384 VanDerWaalsContact C-N 3.33Å; N382-L384 PolarHBondContact O-N 2.94Å; N382-R385 PolarHBondContact O-N 2.73Å; N382-N386 VanDerWaalsContact O-CG 3.27Å; N382-N386 PolarHBondContact O-N 2.86Å
383	K	88.8	Confident	87	Confident	151 Å²	151	86.1 Å²	86.1	66%	0.657	42%	0.421	S	S	*	.	H	α-helix	trans	-58.7	-46.1	171.4	-77.2	-179	178.2	-171.4	0	111.2	K379 Q380 R385 N386 S387	K379-K383 WeakPolarHBondContact O-CG 3.47Å; K379-K383 PolarHBondContact O-N 3.25Å; Q380-K383 PolarHBondContact O-N 3.4Å; K383-R385 PolarHBondContact O-N 2.85Å; K383-N386 PolarHBondContact O-N 3Å; K383-S387 PolarHBondContact O-N 3.42Å; K383-S387 PolarHBondContact O-OG 3.14Å
384	L	88.8	Confident	87.4	Confident	21 Å²	21	88.7 Å²	88.7	11%	0.11	44%	0.441	C	S	.	.	H	α-helix	trans	-63.3	-41.8	178.3	-163.8	67.8	0	0	0	111.8	Q380 K381 N382 N386 S387 V388 Q406 E409 T410 I413	Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.16Å; K381-L384 WeakPolarHBondContact O-CB 3.08Å; K381-L384 PolarHBondContact O-N 3.08Å; N382-L384 VanDerWaalsContact C-N 3.33Å; N382-L384 PolarHBondContact O-N 2.94Å; L384-N386 VanDerWaalsContact C-N 3.35Å; L384-N386 PolarHBondContact O-N 3.5Å; L384-S387 WeakPolarHBondContact O-CB 3.24Å; L384-S387 PolarHBondContact O-N 2.96Å; L384-V388 WeakPolarHBondContact O-CG2 3.25Å; L384-V388 PolarHBondContact O-N 2.92Å; L384-Q406 HydrophobicContact CD2-CB 4.42Å; L384-E409 HydrophobicContact CD2-CB 3.81Å; L384-E409 HydrophobicContact CD2-CG 4.01Å; L384-T410 WeakPolarHBondContact CD2-OG1 3.42Å; L384-I413 HydrophobicContact CB-CD1 4.34Å; L384-I413 HydrophobicContact CD2-CD1 4.22Å; L384-I413 HydrophobicContact CG-CD1 4.25Å
385	R	89.8	Confident	87.7	Confident	96 Å²	96	87.9 Å²	87.9	36%	0.362	44%	0.438	S	S	.	.	H	α-helix	trans	-59.1	-45	174.4	-168.3	-178.5	-171.2	93.7	1.4	111.8	K381 N382 K383 V388 L389 I413	K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.07Å; N382-R385 PolarHBondContact O-N 2.73Å; K383-R385 PolarHBondContact O-N 2.85Å; R385-V388 PolarHBondContact O-N 3.49Å; R385-L389 HydrophobicContact CG-CD1 4.5Å; R385-L389 WeakPolarHBondContact O-CG 3.26Å; R385-L389 PolarHBondContact O-N 3.01Å; R385-I413 HydrophobicContact CB-CD1 4.11Å; R385-I413 HydrophobicContact CG-CG2 4.06Å
386	N	90.8	Very high	87.8	Confident	93 Å²	93	85.6 Å²	85.6	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-41	176.1	-68.6	-13.1	0	0	0	111.5	N382 K383 L384 V388 L389 K390	N382-N386 VanDerWaalsContact O-CG 3.27Å; N382-N386 PolarHBondContact O-N 2.86Å; K383-N386 PolarHBondContact O-N 3Å; L384-N386 VanDerWaalsContact C-N 3.35Å; L384-N386 PolarHBondContact O-N 3.5Å; N386-V388 VanDerWaalsContact C-N 3.35Å; N386-V388 PolarHBondContact O-N 3.36Å; N386-L389 PolarHBondContact O-N 3.39Å; N386-K390 WeakPolarHBondContact O-CB 3.32Å; N386-K390 VanDerWaalsContact O-CG 3.29Å; N386-K390 WeakPolarHBondContact O-CG 3.5Å; N386-K390 PolarHBondContact O-N 3.39Å
387	S	88.8	Confident	87.8	Confident	43 Å²	43	93.7 Å²	93.7	30%	0.301	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-41.9	174.3	-64.7	0	0	0	0	112.4	K383 L384 K390 Y391 M396	K383-S387 PolarHBondContact O-N 3.42Å; K383-S387 PolarHBondContact O-OG 3.14Å; L384-S387 WeakPolarHBondContact O-CB 3.24Å; L384-S387 PolarHBondContact O-N 2.96Å; S387-K390 PolarHBondContact O-N 2.89Å; S387-Y391 WeakPolarHBondContact O-CB 3.49Å; S387-Y391 PolarHBondContact O-N 2.92Å; S387-M396 WeakPolarHBondContact O-CE 3.36Å
388	V	90.1	Very high	87.6	Confident	0 Å²	0	96.1 Å²	96.1	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-63.9	-42.9	175.4	172.3	0	0	0	0	111.6	L384 R385 N386 Y391 L392 T410 I413 F414 I417	L384-V388 WeakPolarHBondContact O-CG2 3.25Å; L384-V388 PolarHBondContact O-N 2.92Å; R385-V388 PolarHBondContact O-N 3.49Å; N386-V388 VanDerWaalsContact C-N 3.35Å; N386-V388 PolarHBondContact O-N 3.36Å; V388-Y391 PolarHBondContact O-N 3.1Å; V388-L392 HydrophobicContact CG1-CD1 4.14Å; V388-L392 WeakPolarHBondContact O-CG 3.48Å; V388-L392 PolarHBondContact O-N 2.88Å; V388-T410 HydrophobicContact CG2-CG2 3.57Å; V388-I413 HydrophobicContact CB-CG2 4.09Å; V388-I413 HydrophobicContact CG1-CG2 3.92Å; V388-I413 HydrophobicContact CG2-CG2 4.32Å; V388-F414 HydrophobicContact CG1-CD1 3.91Å; V388-F414 HydrophobicContact CG1-CD2 4.45Å; V388-F414 HydrophobicContact CG1-CE1 3.65Å; V388-F414 HydrophobicContact CG1-CE2 4.23Å; V388-F414 HydrophobicContact CG1-CG 4.3Å; V388-F414 HydrophobicContact CG1-CZ 3.83Å; V388-F414 HydrophobicContact CG2-CE2 4.37Å; V388-I417 HydrophobicContact CG1-CD1 3.94Å
389	L	89.7	Confident	87.5	Confident	68 Å²	68	92.8 Å²	92.8	36%	0.356	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-42.8	176.9	-71	172	0	0	0	112	R385 N386 Y391 L392 N393 I417	R385-L389 HydrophobicContact CG-CD1 4.5Å; R385-L389 WeakPolarHBondContact O-CG 3.26Å; R385-L389 PolarHBondContact O-N 3.01Å; N386-L389 PolarHBondContact O-N 3.39Å; L389-Y391 VanDerWaalsContact C-N 3.34Å; L389-Y391 PolarHBondContact O-N 2.73Å; L389-L392 PolarHBondContact O-N 2.73Å; L389-N393 WeakPolarHBondContact O-CB 3.38Å; L389-N393 PolarHBondContact O-N 3.11Å; L389-I417 HydrophobicContact CD2-CD1 3.93Å
390	K	89.8	Confident	87.2	Confident	98 Å²	98	93.1 Å²	93.1	43%	0.426	45%	0.45	S	S	.	.	H	α-helix	trans	-62	-40.6	174.7	-73.2	-174.3	174.1	-170	0	112.3	N386 S387 N393 N394 E395 M396	N386-K390 WeakPolarHBondContact O-CB 3.32Å; N386-K390 VanDerWaalsContact O-CG 3.29Å; N386-K390 WeakPolarHBondContact O-CG 3.5Å; N386-K390 PolarHBondContact O-N 3.39Å; S387-K390 PolarHBondContact O-N 2.89Å; K390-N393 PolarHBondContact O-N 2.65Å; K390-N394 PolarHBondContact O-N 3.48Å; K390-E395 HydrophobicContact CB-CB 4.16Å; K390-E395 WeakPolarHBondContact CG-OE2 3.42Å; K390-E395 WeakPolarHBondContact O-CB 3.35Å; K390-E395 PolarHBondContact O-N 3.43Å; K390-M396 HydrophobicContact CB-CE 3.87Å; K390-M396 HydrophobicContact CB-CG 4.04Å; K390-M396 HydrophobicContact CB-SD 4.22Å; K390-M396 HydrophobicContact CD-SD 4.21Å; K390-M396 PolarHBondContact O-N 3.2Å
391	Y	90.5	Very high	86.9	Confident	91 Å²	91	92.4 Å²	92.4	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-46.1	173.9	175.1	-97.8	0	0	0	111.8	S387 V388 L389 N393 N394 M396 K397 L399 F414	S387-Y391 WeakPolarHBondContact O-CB 3.49Å; S387-Y391 PolarHBondContact O-N 2.92Å; V388-Y391 PolarHBondContact O-N 3.1Å; L389-Y391 VanDerWaalsContact C-N 3.34Å; L389-Y391 PolarHBondContact O-N 2.73Å; Y391-N393 VanDerWaalsContact C-N 3.3Å; Y391-N393 PolarHBondContact O-N 3.03Å; Y391-N394 PolarHBondContact O-N 3.41Å; Y391-N394 VanDerWaalsContact O-N 3.08Å; Y391-M396 WeakPolarHBondContact CD2-O 3.27Å; Y391-K397 WeakPolarHBondContact CE2-O 3.48Å; Y391-L399 HydrophobicContact CD1-CD1 4.02Å; Y391-L399 HydrophobicContact CD1-CG 4.34Å; Y391-L399 HydrophobicContact CD2-CD1 4.41Å; Y391-L399 HydrophobicContact CD2-CD2 4.44Å; Y391-L399 HydrophobicContact CD2-CG 3.9Å; Y391-L399 HydrophobicContact CE1-CD1 4.39Å; Y391-L399 HydrophobicContact CE2-CG 4.45Å; Y391-L399 HydrophobicContact CG-CD1 4.03Å; Y391-L399 HydrophobicContact CG-CD2 4.11Å; Y391-L399 HydrophobicContact CG-CG 3.84Å; Y391-F414 HydrophobicContact CD1-CE1 4.33Å; Y391-F414 AromaticContact CD1-CZ 3.92Å; Y391-F414 HydrophobicContact CD1-CZ 3.92Å; Y391-F414 HydrophobicContact CE1-CZ 4.12Å
392	L	87.6	Confident	86.4	Confident	75 Å²	75	92.8 Å²	92.8	39%	0.393	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-33.7	176.3	-73.9	172.6	0	0	0	113.1	V388 L389 N394 F414 I417	V388-L392 HydrophobicContact CG1-CD1 4.14Å; V388-L392 WeakPolarHBondContact O-CG 3.48Å; V388-L392 PolarHBondContact O-N 2.88Å; L389-L392 PolarHBondContact O-N 2.73Å; L392-N394 PolarHBondContact O-N 2.94Å; L392-F414 HydrophobicContact CD1-CD1 4.45Å; L392-F414 HydrophobicContact CD1-CE1 4.24Å; L392-F414 HydrophobicContact CD2-CD1 4.48Å; L392-F414 HydrophobicContact CD2-CE1 3.88Å; L392-F414 HydrophobicContact CG-CE1 4.02Å; L392-I417 HydrophobicContact CD1-CD1 3.75Å; L392-I417 HydrophobicContact CD1-CG2 3.98Å
393	N	89.6	Confident	85.8	Confident	106 Å²	106	89.9 Å²	89.9	57%	0.567	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	5.8	175.4	-71.9	-8.7	0	0	0	113.5	L389 K390 Y391 E395	L389-N393 WeakPolarHBondContact O-CB 3.38Å; L389-N393 PolarHBondContact O-N 3.11Å; K390-N393 PolarHBondContact O-N 2.65Å; Y391-N393 VanDerWaalsContact C-N 3.3Å; Y391-N393 PolarHBondContact O-N 3.03Å; N393-E395 HydrophobicContact CB-CG 4.1Å; N393-E395 PolarHBondContact O-N 2.71Å
394	N	85.3	Confident	85.6	Confident	150 Å²	150	89.7 Å²	89.7	80%	0.802	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	18.9	-173.5	-60.7	-50.7	0	0	0	114.6	K390 Y391 L392 M396	K390-N394 PolarHBondContact O-N 3.48Å; Y391-N394 PolarHBondContact O-N 3.41Å; Y391-N394 VanDerWaalsContact O-N 3.08Å; L392-N394 PolarHBondContact O-N 2.94Å; N394-M396 VanDerWaalsContact C-N 3.3Å
395	E	86.3	Confident	85.3	Confident	126 Å²	126	91.5 Å²	91.5	59%	0.589	45%	0.452	S	S	*	.	S	Bend	trans	-76.8	-19.9	173.9	-64.2	176.7	-158.4	0	0	111.9	K390 N393	K390-E395 HydrophobicContact CB-CB 4.16Å; K390-E395 WeakPolarHBondContact CG-OE2 3.42Å; K390-E395 WeakPolarHBondContact O-CB 3.35Å; K390-E395 PolarHBondContact O-N 3.43Å; N393-E395 HydrophobicContact CB-CG 4.1Å; N393-E395 PolarHBondContact O-N 2.71Å
396	M	82	Confident	85.1	Confident	61 Å²	61	89.1 Å²	89.1	30%	0.3	45%	0.445	S	S	.	.			trans	-134	138.1	176.5	-63.9	-167.7	-41.5	0	0	110.9	S387 K390 Y391 N394 L399	S387-M396 WeakPolarHBondContact O-CE 3.36Å; K390-M396 HydrophobicContact CB-CE 3.87Å; K390-M396 HydrophobicContact CB-CG 4.04Å; K390-M396 HydrophobicContact CB-SD 4.22Å; K390-M396 HydrophobicContact CD-SD 4.21Å; K390-M396 PolarHBondContact O-N 3.2Å; Y391-M396 WeakPolarHBondContact CD2-O 3.27Å; N394-M396 VanDerWaalsContact C-N 3.3Å; M396-L399 HydrophobicContact CE-CD2 4.45Å
397	K	80.6	Confident	85	Confident	190 Å²	190	87.5 Å²	87.5	83%	0.826	44%	0.436	S	S	*	.	S	Bend	trans	-84.2	-37.2	-177	-68.7	-175.1	179.6	179.9	0	113.9	Y391	Y391-K397 WeakPolarHBondContact CE2-O 3.48Å
398	D	83.2	Confident	84.9	Confident	136 Å²	136	92.4 Å²	92.4	73%	0.727	45%	0.452	S	S	*	.			trans	-129.6	144.3	-176.2	-65.1	-47.9	0	0	0	111
399	L	84.6	Confident	84.9	Confident	43 Å²	43	94.3 Å²	94.3	23%	0.225	46%	0.461	C	S	.	.			trans	-94.1	110.9	172.1	-72.5	171.6	0	0	0	109.1	Y391 M396 I401 T410 F414	Y391-L399 HydrophobicContact CD1-CD1 4.02Å; Y391-L399 HydrophobicContact CD1-CG 4.34Å; Y391-L399 HydrophobicContact CD2-CD1 4.41Å; Y391-L399 HydrophobicContact CD2-CD2 4.44Å; Y391-L399 HydrophobicContact CD2-CG 3.9Å; Y391-L399 HydrophobicContact CE1-CD1 4.39Å; Y391-L399 HydrophobicContact CE2-CG 4.45Å; Y391-L399 HydrophobicContact CG-CD1 4.03Å; Y391-L399 HydrophobicContact CG-CD2 4.11Å; Y391-L399 HydrophobicContact CG-CG 3.84Å; M396-L399 HydrophobicContact CE-CD2 4.45Å; L399-I401 HydrophobicContact CB-CD1 4.44Å; L399-I401 HydrophobicContact CB-CG1 4.23Å; L399-I401 PolarHBondContact O-N 2.98Å; L399-T410 HydrophobicContact CD1-CG2 4.08Å; L399-F414 HydrophobicContact CD1-CE2 3.83Å; L399-F414 HydrophobicContact CD1-CZ 3.8Å
400	E	81.7	Confident	84.8	Confident	181 Å²	181	91.3 Å²	91.3	85%	0.846	45%	0.446	S	S	*	.			trans	-71.1	96.4	171.9	-68.2	179.7	-177.3	0	0	109.9
401	I	79.9	Confident	84.9	Confident	66 Å²	66	92.9 Å²	92.9	34%	0.338	45%	0.453	S	S	.	.			trans	-102.8	114.7	176.7	-58.3	177.2	0	0	0	108.4	L399 N403 Q406 L407 T410	L399-I401 HydrophobicContact CB-CD1 4.44Å; L399-I401 HydrophobicContact CB-CG1 4.23Å; L399-I401 PolarHBondContact O-N 2.98Å; I401-N403 WeakPolarHBondContact CG2-O 3.01Å; I401-Q406 HydrophobicContact CG2-CB 4.16Å; I401-L407 HydrophobicContact CD1-CD1 3.59Å; I401-L407 HydrophobicContact CG2-CB 3.79Å; I401-L407 HydrophobicContact CG2-CD1 4.24Å; I401-T410 HydrophobicContact CD1-CG2 4.43Å
402	V	76.8	Confident	85	Confident	66 Å²	66	91.6 Å²	91.6	40%	0.4	45%	0.452	S	S	.	.			trans	-90.2	-33.8	-173.1	-173	0	0	0	0	111.7	I371	I371-V402 HydrophobicContact CG1-CG1 4.32Å
403	N	78.2	Confident	85.2	Confident	27 Å²	27	88.2 Å²	88.2	14%	0.144	43%	0.434	C	S	.	.	S	Bend	trans	-141	165.7	-176.3	74.7	12.8	0	0	0	113.6	I371 N372 I401 Q405 Q406 L407	I371-N403 HydrophobicContact CG2-CB 4.33Å; N372-N403 PolarHBondContact O-ND2 3.4Å; N372-N403 VanDerWaalsContact O-ND2 3.15Å; I401-N403 WeakPolarHBondContact CG2-O 3.01Å; N403-Q405 PolarHBondContact O-N 3.41Å; N403-Q405 PolarHBondContact OD1-N 3.44Å; N403-Q406 PolarHBondContact O-N 2.98Å; N403-Q406 VanDerWaalsContact OD1-CB 3.3Å; N403-Q406 WeakPolarHBondContact OD1-CB 3.27Å; N403-Q406 VanDerWaalsContact OD1-CG 3.25Å; N403-Q406 WeakPolarHBondContact OD1-CG 3.16Å; N403-Q406 PolarHBondContact OD1-N 2.65Å; N403-L407 PolarHBondContact O-N 3.26Å
404	L	83.1	Confident	85.4	Confident	146 Å²	146	85.5 Å²	85.5	76%	0.764	42%	0.417	S	S	*	.	H	α-helix	trans	-60.8	-27.2	178.8	-79	168.1	0	0	0	113.4	L407 K408	L404-L407 HydrophobicContact CD2-CD2 4.23Å; L404-L407 WeakPolarHBondContact O-CB 3.4Å; L404-K408 WeakPolarHBondContact O-CB 3.34Å; L404-K408 PolarHBondContact O-N 2.75Å
405	Q	83.1	Confident	85.7	Confident	60 Å²	60	85.9 Å²	85.9	28%	0.28	41%	0.412	S	S	.	.	H	α-helix	trans	-76.7	-42.6	-178.6	-166.9	178.7	5.4	0	0	111.9	E374 L376 N403 L407 K408 E409	E374-Q405 PolarHBondContact O-NE2 2.83Å; E374-Q405 PolarHBondContact O-OE1 2.86Å; L376-Q405 HydrophobicContact CD1-CG 3.9Å; L376-Q405 HydrophobicContact CG-CG 4.04Å; N403-Q405 PolarHBondContact O-N 3.41Å; N403-Q405 PolarHBondContact OD1-N 3.44Å; Q405-L407 VanDerWaalsContact C-N 3.32Å; Q405-K408 PolarHBondContact O-N 3.27Å; Q405-E409 WeakPolarHBondContact O-CB 3.41Å; Q405-E409 PolarHBondContact O-N 3.08Å
406	Q	85.7	Confident	86	Confident	46 Å²	46	84.7 Å²	84.7	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-59.2	-47	168.2	-73.6	174.8	1.5	0	0	109.2	L376 L384 I401 N403 K408 E409 T410	L376-Q406 HydrophobicContact CD2-CG 4.31Å; L384-Q406 HydrophobicContact CD2-CB 4.42Å; I401-Q406 HydrophobicContact CG2-CB 4.16Å; N403-Q406 PolarHBondContact O-N 2.98Å; N403-Q406 VanDerWaalsContact OD1-CB 3.3Å; N403-Q406 WeakPolarHBondContact OD1-CB 3.27Å; N403-Q406 VanDerWaalsContact OD1-CG 3.25Å; N403-Q406 WeakPolarHBondContact OD1-CG 3.16Å; N403-Q406 PolarHBondContact OD1-N 2.65Å; Q406-K408 VanDerWaalsContact C-N 3.32Å; Q406-K408 PolarHBondContact O-N 3.12Å; Q406-E409 PolarHBondContact O-N 3.03Å; Q406-E409 VanDerWaalsContact O-N 3.12Å; Q406-T410 WeakPolarHBondContact O-CB 3.47Å; Q406-T410 PolarHBondContact O-N 2.94Å; Q406-T410 PolarHBondContact O-OG1 3.08Å
407	L	87.6	Confident	86.5	Confident	59 Å²	59	82.7 Å²	82.7	31%	0.309	40%	0.397	S	S	.	.	H	α-helix	trans	-53.2	-50.9	175.9	-174.4	64.3	0	0	0	111.6	I401 N403 L404 Q405 E409 T410 F411	I401-L407 HydrophobicContact CD1-CD1 3.59Å; I401-L407 HydrophobicContact CG2-CB 3.79Å; I401-L407 HydrophobicContact CG2-CD1 4.24Å; N403-L407 PolarHBondContact O-N 3.26Å; L404-L407 HydrophobicContact CD2-CD2 4.23Å; L404-L407 WeakPolarHBondContact O-CB 3.4Å; Q405-L407 VanDerWaalsContact C-N 3.32Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 PolarHBondContact O-N 2.79Å; L407-T410 PolarHBondContact O-N 3.29Å; L407-F411 HydrophobicContact CD1-CD2 4Å; L407-F411 HydrophobicContact CD1-CE2 3.47Å; L407-F411 VanDerWaalsContact CD1-CE2 3.47Å; L407-F411 HydrophobicContact CD1-CZ 4.34Å; L407-F411 HydrophobicContact CD2-CE2 4.29Å; L407-F411 HydrophobicContact CG-CD2 3.91Å; L407-F411 HydrophobicContact CG-CE2 3.66Å; L407-F411 WeakPolarHBondContact O-CD2 3.49Å; L407-F411 PolarHBondContact O-N 3.37Å
408	K	87.8	Confident	87.1	Confident	145 Å²	145	78 Å²	78	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-60.4	-42.3	178.8	-171.8	176.4	-177.6	179.6	0	112	L404 Q405 Q406 F411 N412	L404-K408 WeakPolarHBondContact O-CB 3.34Å; L404-K408 PolarHBondContact O-N 2.75Å; Q405-K408 PolarHBondContact O-N 3.27Å; Q406-K408 VanDerWaalsContact C-N 3.32Å; Q406-K408 PolarHBondContact O-N 3.12Å; K408-F411 PolarHBondContact O-N 2.74Å; K408-N412 VanDerWaalsContact O-CG 3.28Å; K408-N412 PolarHBondContact O-N 3.36Å; K408-N412 PolarHBondContact O-ND2 2.79Å
409	E	88.9	Confident	87.6	Confident	41 Å²	41	78.4 Å²	78.4	19%	0.192	38%	0.38	C	S	.	.	H	α-helix	trans	-72.2	-38.6	179.9	-167.8	66.8	173.4	0	0	112.6	L376 K381 L384 Q405 Q406 L407 F411 N412 I413	L376-E409 HydrophobicContact CD1-CB 3.8Å; L376-E409 HydrophobicContact CD1-CG 4.09Å; K381-E409 WeakPolarHBondContact CD-OE1 3.18Å; K381-E409 HydrophobicContact CG-CG 4.34Å; L384-E409 HydrophobicContact CD2-CB 3.81Å; L384-E409 HydrophobicContact CD2-CG 4.01Å; Q405-E409 WeakPolarHBondContact O-CB 3.41Å; Q405-E409 PolarHBondContact O-N 3.08Å; Q406-E409 PolarHBondContact O-N 3.03Å; Q406-E409 VanDerWaalsContact O-N 3.12Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 PolarHBondContact O-N 2.79Å; E409-F411 VanDerWaalsContact C-N 3.31Å; E409-F411 PolarHBondContact O-N 3.28Å; E409-N412 WeakPolarHBondContact O-CB 3.46Å; E409-N412 PolarHBondContact O-N 2.97Å; E409-N412 VanDerWaalsContact O-N 3.12Å; E409-N412 PolarHBondContact OE2-ND2 3.09Å; E409-I413 HydrophobicContact CG-CD1 4.21Å; E409-I413 WeakPolarHBondContact O-CD1 3.41Å; E409-I413 VanDerWaalsContact O-CG1 3.27Å; E409-I413 WeakPolarHBondContact O-CG1 3.45Å; E409-I413 PolarHBondContact O-N 3.35Å
410	T	89.6	Confident	88	Confident	4 Å²	4	79.2 Å²	79.2	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-56.9	-46.4	171.3	-55.2	0	0	0	0	110.1	L384 V388 L399 I401 Q406 L407 N412 I413 F414	L384-T410 WeakPolarHBondContact CD2-OG1 3.42Å; V388-T410 HydrophobicContact CG2-CG2 3.57Å; L399-T410 HydrophobicContact CD1-CG2 4.08Å; I401-T410 HydrophobicContact CD1-CG2 4.43Å; Q406-T410 WeakPolarHBondContact O-CB 3.47Å; Q406-T410 PolarHBondContact O-N 2.94Å; Q406-T410 PolarHBondContact O-OG1 3.08Å; L407-T410 PolarHBondContact O-N 3.29Å; T410-N412 PolarHBondContact O-N 3.2Å; T410-I413 PolarHBondContact O-N 2.88Å; T410-F414 HydrophobicContact CG2-CD2 3.82Å; T410-F414 HydrophobicContact CG2-CE2 3.53Å; T410-F414 VanDerWaalsContact O-CD2 3.23Å; T410-F414 WeakPolarHBondContact O-CD2 3.49Å; T410-F414 PolarHBondContact O-N 3.48Å
411	F	91.5	Very high	88.5	Confident	132 Å²	132	74.8 Å²	74.8	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-62.8	-39.6	174.6	-82.1	-62.3	0	0	0	112.9	L407 K408 E409 I413 F414 K415	L407-F411 HydrophobicContact CD1-CD2 4Å; L407-F411 HydrophobicContact CD1-CE2 3.47Å; L407-F411 VanDerWaalsContact CD1-CE2 3.47Å; L407-F411 HydrophobicContact CD1-CZ 4.34Å; L407-F411 HydrophobicContact CD2-CE2 4.29Å; L407-F411 HydrophobicContact CG-CD2 3.91Å; L407-F411 HydrophobicContact CG-CE2 3.66Å; L407-F411 WeakPolarHBondContact O-CD2 3.49Å; L407-F411 PolarHBondContact O-N 3.37Å; K408-F411 PolarHBondContact O-N 2.74Å; E409-F411 VanDerWaalsContact C-N 3.31Å; E409-F411 PolarHBondContact O-N 3.28Å; F411-I413 VanDerWaalsContact C-N 3.32Å; F411-I413 PolarHBondContact O-N 2.93Å; F411-F414 PolarHBondContact O-N 3.35Å; F411-K415 WeakPolarHBondContact O-CB 3.44Å; F411-K415 PolarHBondContact O-N 2.87Å
412	N	91.8	Very high	89.1	Confident	64 Å²	64	76 Å²	76	34%	0.342	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-43	174	-71.8	-24.9	0	0	0	111.3	K408 E409 T410 K415 Q416	K408-N412 VanDerWaalsContact O-CG 3.28Å; K408-N412 PolarHBondContact O-N 3.36Å; K408-N412 PolarHBondContact O-ND2 2.79Å; E409-N412 WeakPolarHBondContact O-CB 3.46Å; E409-N412 PolarHBondContact O-N 2.97Å; E409-N412 VanDerWaalsContact O-N 3.12Å; E409-N412 PolarHBondContact OE2-ND2 3.09Å; T410-N412 PolarHBondContact O-N 3.2Å; N412-K415 PolarHBondContact O-N 2.81Å; N412-Q416 WeakPolarHBondContact O-CG 3.36Å; N412-Q416 PolarHBondContact O-N 3.41Å
413	I	91.7	Very high	89.8	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-47.8	178.2	-66.4	159	0	0	0	110.6	L384 R385 V388 E409 T410 F411 K415 Q416 I417	L384-I413 HydrophobicContact CB-CD1 4.34Å; L384-I413 HydrophobicContact CD2-CD1 4.22Å; L384-I413 HydrophobicContact CG-CD1 4.25Å; R385-I413 HydrophobicContact CB-CD1 4.11Å; R385-I413 HydrophobicContact CG-CG2 4.06Å; V388-I413 HydrophobicContact CB-CG2 4.09Å; V388-I413 HydrophobicContact CG1-CG2 3.92Å; V388-I413 HydrophobicContact CG2-CG2 4.32Å; E409-I413 HydrophobicContact CG-CD1 4.21Å; E409-I413 WeakPolarHBondContact O-CD1 3.41Å; E409-I413 VanDerWaalsContact O-CG1 3.27Å; E409-I413 WeakPolarHBondContact O-CG1 3.45Å; E409-I413 PolarHBondContact O-N 3.35Å; T410-I413 PolarHBondContact O-N 2.88Å; F411-I413 VanDerWaalsContact C-N 3.32Å; F411-I413 PolarHBondContact O-N 2.93Å; I413-K415 VanDerWaalsContact C-N 3.3Å; I413-K415 PolarHBondContact O-N 3.31Å; I413-Q416 WeakPolarHBondContact O-CB 3.45Å; I413-Q416 PolarHBondContact O-N 3.37Å; I413-Q416 VanDerWaalsContact O-N 3.13Å; I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.43Å; I413-I417 WeakPolarHBondContact O-CG1 3.33Å; I413-I417 PolarHBondContact O-N 2.85Å
414	F	93.1	Very high	90.5	Very high	48 Å²	48	80.1 Å²	80.1	21%	0.211	39%	0.393	C	S	.	.	H	α-helix	trans	-55.3	-47.6	174.3	-83.6	-62.2	0	0	0	111.3	V388 Y391 L392 L399 T410 F411 Q416 I417 T418	V388-F414 HydrophobicContact CG1-CD1 3.91Å; V388-F414 HydrophobicContact CG1-CD2 4.45Å; V388-F414 HydrophobicContact CG1-CE1 3.65Å; V388-F414 HydrophobicContact CG1-CE2 4.23Å; V388-F414 HydrophobicContact CG1-CG 4.3Å; V388-F414 HydrophobicContact CG1-CZ 3.83Å; V388-F414 HydrophobicContact CG2-CE2 4.37Å; Y391-F414 HydrophobicContact CD1-CE1 4.33Å; Y391-F414 AromaticContact CD1-CZ 3.92Å; Y391-F414 HydrophobicContact CD1-CZ 3.92Å; Y391-F414 HydrophobicContact CE1-CZ 4.12Å; L392-F414 HydrophobicContact CD1-CD1 4.45Å; L392-F414 HydrophobicContact CD1-CE1 4.24Å; L392-F414 HydrophobicContact CD2-CD1 4.48Å; L392-F414 HydrophobicContact CD2-CE1 3.88Å; L392-F414 HydrophobicContact CG-CE1 4.02Å; L399-F414 HydrophobicContact CD1-CE2 3.83Å; L399-F414 HydrophobicContact CD1-CZ 3.8Å; T410-F414 HydrophobicContact CG2-CD2 3.82Å; T410-F414 HydrophobicContact CG2-CE2 3.53Å; T410-F414 VanDerWaalsContact O-CD2 3.23Å; T410-F414 WeakPolarHBondContact O-CD2 3.49Å; T410-F414 PolarHBondContact O-N 3.48Å; F411-F414 PolarHBondContact O-N 3.35Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 3.01Å; F414-I417 PolarHBondContact O-N 2.77Å; F414-I417 VanDerWaalsContact O-N 3.15Å; F414-T418 PolarHBondContact O-N 2.89Å; F414-T418 PolarHBondContact O-OG1 3.5Å
415	K	93	Very high	90.8	Very high	159 Å²	159	77.4 Å²	77.4	69%	0.691	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-40.5	177.8	-173.3	176.6	-178	177.2	0	112.3	F411 N412 I413 K419	F411-K415 WeakPolarHBondContact O-CB 3.44Å; F411-K415 PolarHBondContact O-N 2.87Å; N412-K415 PolarHBondContact O-N 2.81Å; I413-K415 VanDerWaalsContact C-N 3.3Å; I413-K415 PolarHBondContact O-N 3.31Å; K415-K419 WeakPolarHBondContact O-CB 3.4Å; K415-K419 PolarHBondContact O-N 3.49Å
416	Q	92.5	Very high	91.2	Very high	101 Å²	101	78.4 Å²	78.4	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-46.5	174.9	-74.2	174.3	4.6	0	0	111.6	N412 I413 F414 K419 S420	N412-Q416 WeakPolarHBondContact O-CG 3.36Å; N412-Q416 PolarHBondContact O-N 3.41Å; I413-Q416 WeakPolarHBondContact O-CB 3.45Å; I413-Q416 PolarHBondContact O-N 3.37Å; I413-Q416 VanDerWaalsContact O-N 3.13Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 3.01Å; Q416-K419 PolarHBondContact O-N 3.41Å; Q416-S420 PolarHBondContact O-N 3.1Å; Q416-S420 PolarHBondContact O-OG 3.44Å
417	I	92.2	Very high	91.3	Very high	19 Å²	19	81.7 Å²	81.7	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-64.9	-46	-179.6	-65.5	168.4	0	0	0	110.9	V388 L389 L392 I413 F414 K419 S420 L421	V388-I417 HydrophobicContact CG1-CD1 3.94Å; L389-I417 HydrophobicContact CD2-CD1 3.93Å; L392-I417 HydrophobicContact CD1-CD1 3.75Å; L392-I417 HydrophobicContact CD1-CG2 3.98Å; I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.43Å; I413-I417 WeakPolarHBondContact O-CG1 3.33Å; I413-I417 PolarHBondContact O-N 2.85Å; F414-I417 PolarHBondContact O-N 2.77Å; F414-I417 VanDerWaalsContact O-N 3.15Å; I417-K419 VanDerWaalsContact C-N 3.28Å; I417-K419 PolarHBondContact O-N 2.93Å; I417-S420 WeakPolarHBondContact CA-OG 3.36Å; I417-S420 PolarHBondContact O-N 3.36Å; I417-S420 PolarHBondContact O-OG 2.87Å; I417-L421 HydrophobicContact CG2-CD1 3.86Å; I417-L421 HydrophobicContact CG2-CG 4.33Å; I417-L421 WeakPolarHBondContact O-CB 3.22Å; I417-L421 WeakPolarHBondContact O-CG 3.41Å; I417-L421 PolarHBondContact O-N 3.05Å
418	T	92.1	Very high	91.4	Very high	91 Å²	91	82 Å²	82	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-60.2	-41	176.5	-53.8	0	0	0	0	111.1	F414 L421 Q422	F414-T418 PolarHBondContact O-N 2.89Å; F414-T418 PolarHBondContact O-OG1 3.5Å; T418-L421 PolarHBondContact O-N 2.88Å; T418-Q422 WeakPolarHBondContact O-CB 3.43Å; T418-Q422 PolarHBondContact O-N 2.9Å
419	K	93.7	Very high	91.3	Very high	145 Å²	145	80.8 Å²	80.8	63%	0.63	40%	0.401	S	S	*	.	H	α-helix	trans	-64.8	-42	176.6	-169.4	178.6	-179.9	-176	0	111.9	K415 Q416 I417 Q422 V423	K415-K419 WeakPolarHBondContact O-CB 3.4Å; K415-K419 PolarHBondContact O-N 3.49Å; Q416-K419 PolarHBondContact O-N 3.41Å; I417-K419 VanDerWaalsContact C-N 3.28Å; I417-K419 PolarHBondContact O-N 2.93Å; K419-Q422 PolarHBondContact O-N 3.47Å; K419-V423 WeakPolarHBondContact O-CG2 3.41Å; K419-V423 PolarHBondContact O-N 3.19Å; K419-V423 VanDerWaalsContact O-N 3.16Å
420	S	93.3	Very high	91	Very high	59 Å²	59	80.4 Å²	80.4	41%	0.413	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-39.9	176.6	53.8	0	0	0	0	112.4	Q416 I417 Q422 V423 Q424	Q416-S420 PolarHBondContact O-N 3.1Å; Q416-S420 PolarHBondContact O-OG 3.44Å; I417-S420 WeakPolarHBondContact CA-OG 3.36Å; I417-S420 PolarHBondContact O-N 3.36Å; I417-S420 PolarHBondContact O-OG 2.87Å; S420-Q422 VanDerWaalsContact C-N 3.34Å; S420-V423 PolarHBondContact O-N 3.06Å; S420-Q424 WeakPolarHBondContact O-CG 3.32Å; S420-Q424 PolarHBondContact O-N 2.79Å; S420-Q424 VanDerWaalsContact O-N 3.09Å
421	L	91.9	Very high	90.7	Very high	88 Å²	88	86.1 Å²	86.1	46%	0.461	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-37.9	176.6	-73	171.8	0	0	0	111.7	I417 T418 Q424 L425	I417-L421 HydrophobicContact CG2-CD1 3.86Å; I417-L421 HydrophobicContact CG2-CG 4.33Å; I417-L421 WeakPolarHBondContact O-CB 3.22Å; I417-L421 WeakPolarHBondContact O-CG 3.41Å; I417-L421 PolarHBondContact O-N 3.05Å; T418-L421 PolarHBondContact O-N 2.88Å; L421-Q424 PolarHBondContact O-N 3.24Å; L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 3.47Å
422	Q	92.6	Very high	90.2	Very high	93 Å²	93	85.1 Å²	85.1	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-45	175.4	-176.2	59.8	43.7	0	0	111.6	T418 K419 S420 Q424 L425 D426	T418-Q422 WeakPolarHBondContact O-CB 3.43Å; T418-Q422 PolarHBondContact O-N 2.9Å; K419-Q422 PolarHBondContact O-N 3.47Å; S420-Q422 VanDerWaalsContact C-N 3.34Å; Q422-Q424 PolarHBondContact O-N 3.39Å; Q422-L425 PolarHBondContact O-N 3.42Å; Q422-D426 PolarHBondContact NE2-OD1 2.76Å; Q422-D426 VanDerWaalsContact NE2-OD1 3.1Å; Q422-D426 PolarHBondContact NE2-OD2 2.75Å; Q422-D426 VanDerWaalsContact O-CG 3.29Å; Q422-D426 PolarHBondContact O-N 2.96Å
423	V	93.2	Very high	89.4	Confident	70 Å²	70	85.4 Å²	85.4	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-61.5	-44.7	176.9	172.5	0	0	0	0	111.2	K419 S420 L425 D426 E427	K419-V423 WeakPolarHBondContact O-CG2 3.41Å; K419-V423 PolarHBondContact O-N 3.19Å; K419-V423 VanDerWaalsContact O-N 3.16Å; S420-V423 PolarHBondContact O-N 3.06Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.06Å; V423-D426 PolarHBondContact O-N 2.95Å; V423-E427 HydrophobicContact CG1-CG 4.45Å; V423-E427 WeakPolarHBondContact O-CG 2.91Å; V423-E427 PolarHBondContact O-N 3.42Å
424	Q	91.8	Very high	88.5	Confident	108 Å²	108	94.5 Å²	94.5	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-37.6	176.8	-71.4	176.8	-16.3	0	0	112.5	S420 L421 Q422 T428	S420-Q424 WeakPolarHBondContact O-CG 3.32Å; S420-Q424 PolarHBondContact O-N 2.79Å; S420-Q424 VanDerWaalsContact O-N 3.09Å; L421-Q424 PolarHBondContact O-N 3.24Å; Q422-Q424 PolarHBondContact O-N 3.39Å; Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 WeakPolarHBondContact O-CG2 3.43Å; Q424-T428 PolarHBondContact O-N 3.26Å; Q424-T428 PolarHBondContact O-OG1 3.24Å
425	L	90.2	Very high	87.2	Confident	89 Å²	89	98.6 Å²	98.6	47%	0.466	50%	0.495	S	S	.	.	H	α-helix	trans	-65.9	-38.3	174.3	-78.3	171.9	0	0	0	112.1	L421 Q422 V423 T428 K429	L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 3.47Å; Q422-L425 PolarHBondContact O-N 3.42Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.06Å; L425-T428 WeakPolarHBondContact CA-OG1 3.2Å; L425-T428 PolarHBondContact O-OG1 3.36Å; L425-T428 VanDerWaalsContact O-OG1 3.07Å; L425-K429 VanDerWaalsContact O-CB 3.31Å; L425-K429 WeakPolarHBondContact O-CB 3.08Å; L425-K429 WeakPolarHBondContact O-CG 3.32Å; L425-K429 PolarHBondContact O-N 3.13Å
426	D	90	Very high	85.6	Confident	82 Å²	82	94.2 Å²	94.2	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-72.1	-37.4	178.4	-66.1	-27.1	0	0	0	111.4	Q422 V423 G430	Q422-D426 PolarHBondContact NE2-OD1 2.76Å; Q422-D426 VanDerWaalsContact NE2-OD1 3.1Å; Q422-D426 PolarHBondContact NE2-OD2 2.75Å; Q422-D426 VanDerWaalsContact O-CG 3.29Å; Q422-D426 PolarHBondContact O-N 2.96Å; V423-D426 PolarHBondContact O-N 2.95Å; D426-G430 PolarHBondContact O-N 3.47Å
427	E	89.7	Confident	84	Confident	115 Å²	115	95.7 Å²	95.7	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-47.3	172.9	-74.4	175.2	-179	0	0	112.4	V423 G430 Q431	V423-E427 HydrophobicContact CG1-CG 4.45Å; V423-E427 WeakPolarHBondContact O-CG 2.91Å; V423-E427 PolarHBondContact O-N 3.42Å; E427-G430 PolarHBondContact O-N 3.47Å; E427-Q431 WeakPolarHBondContact O-CG 3.28Å; E427-Q431 PolarHBondContact O-N 3.39Å
428	T	88	Confident	82.3	Confident	64 Å²	64	105.1 Å²	105.1	39%	0.393	53%	0.532	S	S	.	.	H	α-helix	trans	-67	-40	179.2	48.6	0	0	0	0	112.2	Q424 L425 G430 Q431 L432	Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 WeakPolarHBondContact O-CG2 3.43Å; Q424-T428 PolarHBondContact O-N 3.26Å; Q424-T428 PolarHBondContact O-OG1 3.24Å; L425-T428 WeakPolarHBondContact CA-OG1 3.2Å; L425-T428 PolarHBondContact O-OG1 3.36Å; L425-T428 VanDerWaalsContact O-OG1 3.07Å; T428-G430 VanDerWaalsContact C-N 3.33Å; T428-G430 PolarHBondContact O-N 3.34Å; T428-Q431 PolarHBondContact O-N 3.44Å; T428-L432 PolarHBondContact O-N 3.43Å
429	K	86.5	Confident	80.3	Confident	120 Å²	120	106.1 Å²	106.1	52%	0.522	54%	0.538	S	S	.	.	H	α-helix	trans	-59.3	-43.8	169.7	-76.3	172.6	-176.3	174.1	0	111.5	L425 Q431 L432 S433	L425-K429 VanDerWaalsContact O-CB 3.31Å; L425-K429 WeakPolarHBondContact O-CB 3.08Å; L425-K429 WeakPolarHBondContact O-CG 3.32Å; L425-K429 PolarHBondContact O-N 3.13Å; K429-Q431 VanDerWaalsContact C-N 3.33Å; K429-Q431 PolarHBondContact O-N 2.9Å; K429-L432 PolarHBondContact O-N 3.32Å; K429-S433 PolarHBondContact O-N 2.94Å; K429-S433 PolarHBondContact O-OG 3.16Å
430	G	82.3	Confident	77.8	Confident	34 Å²	34	102.8 Å²	102.8	35%	0.351	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-38.9	175.9	0	0	0	0	0	113.3	D426 E427 T428 R434	D426-G430 PolarHBondContact O-N 3.47Å; E427-G430 PolarHBondContact O-N 3.47Å; T428-G430 VanDerWaalsContact C-N 3.33Å; T428-G430 PolarHBondContact O-N 3.34Å; G430-R434 WeakPolarHBondContact O-CG 3.47Å; G430-R434 PolarHBondContact O-N 2.94Å; G430-R434 VanDerWaalsContact O-N 3.16Å
431	Q	84.1	Confident	75.3	Confident	123 Å²	123	105.2 Å²	105.2	58%	0.575	56%	0.562	S	S	*	*	H	α-helix	trans	-68.4	-43.3	175.4	-70.3	175.3	17.7	0	0	112.5	E427 T428 K429 R434 Q435	E427-Q431 WeakPolarHBondContact O-CG 3.28Å; E427-Q431 PolarHBondContact O-N 3.39Å; T428-Q431 PolarHBondContact O-N 3.44Å; K429-Q431 VanDerWaalsContact C-N 3.33Å; K429-Q431 PolarHBondContact O-N 2.9Å; Q431-R434 PolarHBondContact O-N 3.09Å; Q431-Q435 PolarHBondContact O-N 3.11Å
432	L	80.3	Confident	72.6	Confident	112 Å²	112	111.9 Å²	111.9	59%	0.586	58%	0.581	S	S	*	*	H	α-helix	trans	-62.8	-42	176.5	-82	162.1	0	0	0	112	T428 K429 R434 Q435 S436	T428-L432 PolarHBondContact O-N 3.43Å; K429-L432 PolarHBondContact O-N 3.32Å; L432-R434 VanDerWaalsContact C-N 3.33Å; L432-R434 PolarHBondContact O-N 3.08Å; L432-Q435 PolarHBondContact O-N 3.46Å; L432-S436 PolarHBondContact O-N 3.06Å; L432-S436 PolarHBondContact O-OG 3.26Å
433	S	76.2	Confident	70	Confident	69 Å²	69	111.9 Å²	111.9	48%	0.483	59%	0.591	S	S	.	*	H	α-helix	trans	-61.9	-39.2	173.9	-61.9	0	0	0	0	112.3	K429 Q435 S436 D437	K429-S433 PolarHBondContact O-N 2.94Å; K429-S433 PolarHBondContact O-OG 3.16Å; S433-Q435 PolarHBondContact O-N 3.49Å; S433-S436 WeakPolarHBondContact CA-OG 3.48Å; S433-S436 PolarHBondContact O-N 2.91Å; S433-S436 PolarHBondContact O-OG 2.76Å; S433-D437 PolarHBondContact O-N 3.24Å
434	R	71.7	Confident	67.6	Low	196 Å²	196	114.5 Å²	114.5	74%	0.74	61%	0.609	S	S	*	*	H	α-helix	trans	-68.1	-31.6	175.1	-73.2	177.3	177.5	-177.4	0.5	113.3	G430 Q431 L432	G430-R434 WeakPolarHBondContact O-CG 3.47Å; G430-R434 PolarHBondContact O-N 2.94Å; G430-R434 VanDerWaalsContact O-N 3.16Å; Q431-R434 PolarHBondContact O-N 3.09Å; L432-R434 VanDerWaalsContact C-N 3.33Å; L432-R434 PolarHBondContact O-N 3.08Å
435	Q	65.4	Low	65	Low	134 Å²	134	115.2 Å²	115.2	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-72.7	-38	174.5	-86.9	-179	-9.9	0	0	112.4	Q431 L432 S433 D437 Y438 T439	Q431-Q435 PolarHBondContact O-N 3.11Å; L432-Q435 PolarHBondContact O-N 3.46Å; S433-Q435 PolarHBondContact O-N 3.49Å; Q435-D437 VanDerWaalsContact C-N 3.28Å; Q435-D437 PolarHBondContact O-N 2.9Å; Q435-Y438 PolarHBondContact O-N 3.48Å; Q435-T439 PolarHBondContact O-N 3.03Å
436	S	60.3	Low	62.5	Low	67 Å²	67	117.4 Å²	117.4	47%	0.469	64%	0.638	S	S	.	*	H	α-helix	trans	-66.1	-29.9	176.9	54.6	0	0	0	0	113.2	L432 S433 Y438	L432-S436 PolarHBondContact O-N 3.06Å; L432-S436 PolarHBondContact O-OG 3.26Å; S433-S436 WeakPolarHBondContact CA-OG 3.48Å; S433-S436 PolarHBondContact O-N 2.91Å; S433-S436 PolarHBondContact O-OG 2.76Å; S436-Y438 VanDerWaalsContact C-N 3.29Å; S436-Y438 PolarHBondContact O-N 3.34Å
437	D	59.4	Low	60.1	Low	131 Å²	131	119 Å²	119	70%	0.701	65%	0.651	S	S	*	*	H	α-helix	trans	-73.4	-20.2	177.2	-66.8	-17.4	0	0	0	112.8	S433 Q435	S433-D437 PolarHBondContact O-N 3.24Å; Q435-D437 VanDerWaalsContact C-N 3.28Å; Q435-D437 PolarHBondContact O-N 2.9Å
438	Y	55.8	Low	57.5	Low	217 Å²	217	117.9 Å²	117.9	85%	0.851	66%	0.661	S	S	*	*	H	α-helix	trans	-94.7	-13.5	177.3	-95.7	-87.9	0	0	0	114.4	Q435 S436 G440	Q435-Y438 PolarHBondContact O-N 3.48Å; S436-Y438 VanDerWaalsContact C-N 3.29Å; S436-Y438 PolarHBondContact O-N 3.34Å; Y438-G440 VanDerWaalsContact C-N 3.31Å; Y438-G440 PolarHBondContact O-N 3.24Å
439	T	50.2	Low	55.1	Low	113 Å²	113	121.3 Å²	121.3	69%	0.693	68%	0.682	S	S	*	*			trans	-98.1	51.8	168.3	61.5	0	0	0	0	111	Q435 S441	Q435-T439 PolarHBondContact O-N 3.03Å; T439-S441 PolarHBondContact O-N 3.35Å; T439-S441 VanDerWaalsContact O-N 3.1Å
440	G	41.3	Very low	52.5	Low	75 Å²	75	119.8 Å²	119.8	77%	0.773	69%	0.686	S	S	*	*			trans	-77.7	69.9	164.5	0	0	0	0	0	111.2	Y438	Y438-G440 VanDerWaalsContact C-N 3.31Å; Y438-G440 PolarHBondContact O-N 3.24Å
441	S	39.7	Very low	50.3	Low	110 Å²	110	123.9 Å²	123.9	77%	0.769	71%	0.705	S	S	*	*			trans	-165.2	126.2	156.5	-170.2	0	0	0	0	111.6	T439	T439-S441 PolarHBondContact O-N 3.35Å; T439-S441 VanDerWaalsContact O-N 3.1Å
442	R	35.8	Very low	47.8	Very low	228 Å²	228	126 Å²	126	86%	0.86	72%	0.718	S	S	*	*	S	Bend	trans	90.9	86	160.6	-147.7	170	-175.2	-163.5	0.7	118.7
443	S	37.4	Very low	45.5	Very low	92 Å²	92	124.9 Å²	124.9	64%	0.643	72%	0.72	S	S	*	*			trans	65.3	127.7	137.5	61.6	0	0	0	0	119.9	T445	S443-T445 PolarHBondContact O-N 2.85Å
444	P	42.8	Very low	43.3	Very low	126 Å²	126	127.3 Å²	127.3	82%	0.818	74%	0.737	S	S	*	*			trans	-79.3	109.6	-172.5	32.4	-33.2	0	0	0	111.3
445	T	37.9	Very low	41.3	Very low	122 Å²	122	123.4 Å²	123.4	75%	0.748	74%	0.74	S	S	*	*			trans	-89.1	106.9	158.2	-52	0	0	0	0	107.8	S443 V447	S443-T445 PolarHBondContact O-N 2.85Å; T445-V447 HydrophobicContact CG2-CG2 4.45Å; T445-V447 PolarHBondContact O-N 2.84Å
446	T	38.3	Very low	39.6	Very low	135 Å²	135	122.4 Å²	122.4	83%	0.828	75%	0.747	S	S	*	*			trans	-58.1	94.8	171.4	48	0	0	0	0	110.1
447	V	38.8	Very low	38	Very low	116 Å²	116	130.3 Å²	130.3	70%	0.703	77%	0.767	S	S	*	*			trans	-100.8	94.8	160.8	-170.7	0	0	0	0	106	T445 V449	T445-V447 HydrophobicContact CG2-CG2 4.45Å; T445-V447 PolarHBondContact O-N 2.84Å; V447-V449 PolarHBondContact O-N 2.8Å
448	A	35.1	Very low	36.6	Very low	91 Å²	91	129.5 Å²	129.5	75%	0.752	77%	0.772	S	S	*	*			trans	-54.9	106.2	162	0	0	0	0	0	107	S450	A448-S450 PolarHBondContact O-N 2.89Å
449	V	37.9	Very low	35.1	Very low	136 Å²	136	123 Å²	123	82%	0.824	77%	0.771	S	S	*	*			trans	-68.6	93.5	165.5	175.8	0	0	0	0	105	V447 T451	V447-V449 PolarHBondContact O-N 2.8Å; V449-T451 PolarHBondContact O-N 3.44Å; V449-T451 VanDerWaalsContact O-N 3.09Å
450	S	32.1	Very low	34	Very low	89 Å²	89	121 Å²	121	62%	0.622	77%	0.772	S	S	*	*			trans	-52.3	114.5	167.8	35.8	0	0	0	0	107.6	A448 I452	A448-S450 PolarHBondContact O-N 2.89Å; S450-I452 PolarHBondContact O-N 3.06Å
451	T	35.6	Very low	33.1	Very low	120 Å²	120	124 Å²	124	74%	0.736	78%	0.776	S	S	*	*			trans	-42.8	110	152.7	41.1	0	0	0	0	107.5	V449 S453	V449-T451 PolarHBondContact O-N 3.44Å; V449-T451 VanDerWaalsContact O-N 3.09Å; T451-S453 PolarHBondContact O-N 2.86Å
452	I	31.1	Very low	32.5	Very low	167 Å²	167	124.2 Å²	124.2	86%	0.856	77%	0.772	S	S	*	*			trans	-72.7	77.5	170	-61	171.3	0	0	0	105.9	S450	S450-I452 PolarHBondContact O-N 3.06Å
453	S	32.8	Very low	32	Very low	88 Å²	88	122.6 Å²	122.6	62%	0.615	77%	0.774	S	S	*	*			trans	-79.9	114.6	151.5	-47.4	0	0	0	0	105.2	T451 S455	T451-S453 PolarHBondContact O-N 2.86Å; S453-S455 PolarHBondContact O-N 3.32Å
454	S	29.1	Very low	31.3	Very low	120 Å²	120	121.2 Å²	121.2	84%	0.839	78%	0.775	S	S	*	*			trans	-27.1	120.1	169.3	51.2	0	0	0	0	114.6
455	S	30.5	Very low	30.5	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	77%	0.774	S	S	*	*			trans	-135.7	107.2	161.2	50.9	0	0	0	0	111.1	S453	S453-S455 PolarHBondContact O-N 3.32Å
456	S	30.4	Very low	30	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	78%	0.779	S	S	*	*			trans	-62.7	132	153.2	45.8	0	0	0	0	110.6
457	R	26.9	Very low	29.3	Very low	233 Å²	233	124.4 Å²	124.4	88%	0.879	78%	0.78	S	S	*	*			trans	61.5	119.1	147.8	-87.8	177.5	165.3	176.1	-4.8	120.6
458	S	29	Very low	28.7	Very low	115 Å²	115	122.9 Å²	122.9	80%	0.804	78%	0.779	S	S	*	*			trans	82.7	109.7	130.8	-59.3	0	0	0	0	119.8
459	G	25.7	Very low	28.1	Very low	81 Å²	81	123.9 Å²	123.9	84%	0.835	78%	0.781	S	S	*	*			trans	106.1	114.3	133.7	0	0	0	0	0	118.1
460	G	25.2	Very low	27.5	Very low	70 Å²	70	122.7 Å²	122.7	72%	0.722	78%	0.778	S	S	*	*			trans	88.1	96.1	133.3	0	0	0	0	0	120.3
461	T	24.1	Very low	27.1	Very low	138 Å²	138	125.8 Å²	125.8	85%	0.847	79%	0.788	S	S	*	*				58.5	135.2	126.6	-19.2	0	0	0	0	123.6
462	V	26.6	Very low	26.7	Very low	115 Å²	115	124.7 Å²	124.7	70%	0.697	79%	0.786	S	S	*	*			trans	93.7	98.7	149.3	-165.6	0	0	0	0	120
463	Q	24.2	Very low	26.3	Very low	193 Å²	193	123.2 Å²	123.2	90%	0.902	78%	0.779	S	S	*	*				54.7	120.1	118.1	-141.7	172.2	24	0	0	121.4
464	G	23.1	Very low	25.9	Very low	64 Å²	64	126.5 Å²	126.5	66%	0.66	79%	0.788	S	S	*	*				124.9	124.5	127.1	0	0	0	0	0	120.3
465	S	26.9	Very low	25.7	Very low	115 Å²	115	124.5 Å²	124.5	80%	0.804	78%	0.775	S	S	*	*			trans	71.5	110	150.6	33.7	0	0	0	0	119.8
466	K	25.8	Very low	25.4	Very low	195 Å²	195	124.3 Å²	124.3	85%	0.848	77%	0.769	S	S	*	*				97	104.7	80.2	-89.4	-174.6	177.5	179.5	0	111.6
467	V	23.7	Very low	25	Very low	140 Å²	140	124.6 Å²	124.6	85%	0.848	77%	0.766	S	S	*	*				75.1	122.3	99.7	177.6	0	0	0	0	115.2
468	A	26.2	Very low	24.9	Very low	83 Å²	83	121.4 Å²	121.4	69%	0.686	76%	0.758	S	S	*	*			trans	143.3	106.2	141.3	0	0	0	0	0	108.9
469	S	24.4	Very low	24.5	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	76%	0.757	S	S	*	*				81.8	131.8	85.5	-66.1	0	0	0	0	114
470	S	25	Very low	24.5	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	75%	0.749	S	S	*	*			trans	82.1	105.6	155.9	-56.9	0	0	0	0	118.2
471	N	23.7	Very low	24.3	Very low	155 Å²	155	130.7 Å²	130.7	83%	0.829	75%	0.747	S	S	*	*				47.9	136.7	121.8	-80.9	-4.8	0	0	0	120.4
472	S	25.8	Very low	24.5	Very low	97 Å²	97	131 Å²	131	68%	0.678	74%	0.744	S	S	*	*			trans	88.1	116.8	147.8	76.9	0	0	0	0	116.8
473	N	23.3	Very low	24.4	Very low	136 Å²	136	132.4 Å²	132.4	73%	0.727	75%	0.747	S	S	*	*				72.3	135.9	124.9	-68.4	-9.2	0	0	0	119
474	I	24.4	Very low	24.5	Very low	156 Å²	156	127.9 Å²	127.9	80%	0.8	74%	0.737	S	S	*	*			trans	73	133.2	144.2	-68.5	163.8	0	0	0	112.7
475	S	24	Very low	24.5	Very low	79 Å²	79	129.4 Å²	129.4	55%	0.552	74%	0.738	S	S	*	*			cis	-179.3	166.2	-7.1	53.6	0	0	0	0	104.2
476	T	24.7	Very low	24.3	Very low	111 Å²	111	130.8 Å²	130.8	68%	0.681	74%	0.736	S	S	*	*			trans	67.7	136.6	142.4	47.5	0	0	0	0	121.2
477	T	23.4	Very low	24.5	Very low	118 Å²	118	129 Å²	129	72%	0.724	74%	0.736	S	S	*	*			trans	77.9	142.9	146.4	65.9	0	0	0	0	115.7
478	K	23.3	Very low	24.5	Very low	165 Å²	165	130.2 Å²	130.2	72%	0.717	73%	0.732	S	S	*	*			cis	-177.5	159.1	-5.2	-117.7	175.3	177.2	169.5	0	103.6
479	R	21.6	Very low	24.5	Very low	205 Å²	205	133.3 Å²	133.3	77%	0.774	74%	0.743	S	S	*	*			trans	71.2	146.6	152.3	-75	173.2	173.4	-177.7	-3.5	114.9
480	Q	25.2	Very low	24.5	Very low	146 Å²	146	134.9 Å²	134.9	68%	0.682	74%	0.742	S	S	*	*			cis	-163.9	130	19.7	-119.8	159.4	5.7	0	0	105.8
481	T	21.5	Very low	24.5	Very low	111 Å²	111	138 Å²	138	68%	0.681	75%	0.749	S	S	*	*				58.4	122.1	105.6	66.5	0	0	0	0	117
482	N	27.2	Very low	24.6	Very low	144 Å²	144	134 Å²	134	77%	0.77	75%	0.745	S	S	*	*			trans	153.3	141.5	141.6	-81.1	-6.7	0	0	0	107.6
483	N	24.7	Very low	24.7	Very low	144 Å²	144	139.4 Å²	139.4	77%	0.77	76%	0.756	S	S	*	*			cis	-173	157.5	-17.7	-134.6	-2.3	0	0	0	105.1
484	S	26.6	Very low	24.7	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	76%	0.759	S	S	*	*			trans	86.2	100.9	151.2	-52.7	0	0	0	0	121.3
485	S	23.9	Very low	24.9	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	76%	0.761	S	S	*	*				87.6	114.5	112.1	62.6	0	0	0	0	122.1
486	N	23.1	Very low	25.1	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	77%	0.772	S	S	*	*			trans	80.5	104.5	130.1	-62	2.3	0	0	0	119.6
487	N	28.6	Very low	25	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	78%	0.782	S	S	*	*				-177.4	148.2	87.1	-100.4	-13.6	0	0	0	112.2
488	E	23.4	Very low	25.1	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	78%	0.781	S	S	*	*			trans	-73.5	146.7	-171.4	-58.2	173.6	131.2	0	0	114
489	T	27.7	Very low	25	Very low	148 Å²	148	142.7 Å²	142.7	91%	0.908	78%	0.781	S	S	*	*				-167.8	134.8	122.1	20.6	0	0	0	0	109.8
490	N	23.1	Very low	25.4	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	78%	0.783	S	S	*	*			trans	-91.1	170.9	-162.8	-88.6	-54.1	0	0	0	114.6
491	L	25.6	Very low	25.4	Very low	175 Å²	175	142.9 Å²	142.9	92%	0.916	79%	0.785	S	S	*	*			trans	81.7	120.9	172.7	-85.8	73.1	0	0	0	116.1
492	G	24.7	Very low	25.7	Very low	72 Å²	72	144.6 Å²	144.6	74%	0.742	79%	0.79	S	S	*	*			cis	165.8	155.2	-0.5	0	0	0	0	0	111
493	K	29	Very low	25.8	Very low	211 Å²	211	147.2 Å²	147.2	92%	0.917	79%	0.794	S	S	*	*			trans	87.1	86.5	169.6	-59.2	-174.4	180	177.4	0	117.9
494	S	22.7	Very low	25.8	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	80%	0.795	S	S	*	*			trans	-49.9	128.7	156.4	-170.2	0	0	0	0	113.2
495	V	29.9	Very low	25.8	Very low	137 Å²	137	149 Å²	149	83%	0.83	81%	0.805	S	S	*	*			trans	-121.5	121.8	155.5	176	0	0	0	0	106.5
496	Q	26.4	Very low	26	Very low	170 Å²	170	150.5 Å²	150.5	79%	0.794	81%	0.809	S	S	*	*			trans	-63.7	134.7	-170.6	-72	169.5	-16	0	0	112.6	V498	Q496-V498 PolarHBondContact O-N 2.74Å
497	N	22.8	Very low	26	Very low	166 Å²	166	147.7 Å²	147.7	89%	0.888	81%	0.806	S	S	*	*			trans	-62.5	111.5	169.6	-79.1	-27.6	0	0	0	110.7
498	V	26.8	Very low	25.9	Very low	115 Å²	115	147.5 Å²	147.5	70%	0.697	81%	0.805	S	S	*	*			trans	-86.9	109.7	169	-173.3	0	0	0	0	108.4	Q496 F500	Q496-V498 PolarHBondContact O-N 2.74Å; V498-F500 HydrophobicContact CG1-CD2 3.91Å; V498-F500 HydrophobicContact CG1-CE2 3.6Å; V498-F500 HydrophobicContact CG1-CZ 4.44Å; V498-F500 PolarHBondContact O-N 3.05Å
499	N	21.7	Very low	26	Very low	133 Å²	133	148.7 Å²	148.7	71%	0.711	81%	0.811	S	S	*	*			trans	-83.6	98.6	-177.3	-163	6.7	0	0	0	110	K501	N499-K501 PolarHBondContact O-N 2.82Å
500	F	28.5	Very low	25.8	Very low	187 Å²	187	148.7 Å²	148.7	82%	0.82	81%	0.81	S	S	*	*			trans	-91.6	91.2	168.7	-83.7	-82.1	0	0	0	109.5	V498 D502	V498-F500 HydrophobicContact CG1-CD2 3.91Å; V498-F500 HydrophobicContact CG1-CE2 3.6Å; V498-F500 HydrophobicContact CG1-CZ 4.44Å; V498-F500 PolarHBondContact O-N 3.05Å; F500-D502 PolarHBondContact O-N 2.77Å
501	K	26.3	Very low	25.8	Very low	167 Å²	167	144.5 Å²	144.5	73%	0.726	80%	0.802	S	S	*	*			trans	-74.2	117	165.6	-83.6	-176.5	172	-177.9	0	110.3	N499	N499-K501 PolarHBondContact O-N 2.82Å
502	D	26.4	Very low	25.7	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	80%	0.802	S	S	*	*			trans	36.3	97.1	136.4	-57.8	-35.7	0	0	0	117.9	F500	F500-D502 PolarHBondContact O-N 2.77Å
503	K	29.7	Very low	25.8	Very low	199 Å²	199	150.3 Å²	150.3	87%	0.865	81%	0.809	S	S	*	*			trans	-110	100.2	142	-82	-176	175.9	179.4	0	108	L505	K503-L505 PolarHBondContact O-N 2.95Å
504	S	24.3	Very low	25.7	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	80%	0.801	S	S	*	*			trans	-57.7	115.4	164.7	44.3	0	0	0	0	109.3
505	L	27.5	Very low	26	Very low	168 Å²	168	147 Å²	147	88%	0.88	81%	0.809	S	S	*	*			trans	-110.2	116.1	166	-77.3	170.4	0	0	0	108	K503	K503-L505 PolarHBondContact O-N 2.95Å
506	V	27.4	Very low	26.1	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	81%	0.806	S	S	*	*			trans	-53.6	129.2	179.7	174.5	0	0	0	0	110.7	N508	V506-N508 PolarHBondContact O-N 3.17Å
507	A	22.8	Very low	26.2	Very low	87 Å²	87	143.2 Å²	143.2	72%	0.719	81%	0.807	S	S	*	*			trans	-75.2	102	171.2	0	0	0	0	0	109.3
508	N	26.4	Very low	26.4	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	80%	0.8	S	S	*	*			trans	-90.1	139.8	161.3	-86.5	-8.1	0	0	0	109.9	V506	V506-N508 PolarHBondContact O-N 3.17Å
509	Q	26	Very low	26.6	Very low	192 Å²	192	144.4 Å²	144.4	90%	0.897	81%	0.809	S	S	*	*			trans	-61.5	144.2	-165.5	-68.5	163.3	3.4	0	0	113	G511	Q509-G511 PolarHBondContact O-N 3.12Å
510	V	23.7	Very low	26.7	Very low	149 Å²	149	141.8 Å²	141.8	90%	0.903	81%	0.814	S	S	*	*			trans	-72.5	99.7	178.2	-175.3	0	0	0	0	107.8
511	G	24.4	Very low	26.6	Very low	57 Å²	57	142.6 Å²	142.6	59%	0.588	82%	0.817	S	S	*	*			trans	-79.8	130.8	163.3	0	0	0	0	0	109.5	Q509 L513	Q509-G511 PolarHBondContact O-N 3.12Å; G511-L513 PolarHBondContact O-N 3.27Å
512	E	22.5	Very low	26.5	Very low	197 Å²	197	142.1 Å²	142.1	92%	0.921	82%	0.822	S	S	*	*			trans	-49	125.4	171.4	-70.7	169.6	137.5	0	0	110.5
513	L	27.4	Very low	26.5	Very low	171 Å²	171	140.2 Å²	140.2	90%	0.895	82%	0.817	S	S	*	*			trans	-108.6	115.3	172.9	-76.9	170	0	0	0	108.9	G511	G511-L513 PolarHBondContact O-N 3.27Å
514	D	26	Very low	26.3	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	82%	0.815	S	S	*	*			trans	-50.7	140.1	176.8	-82.2	-43.8	0	0	0	113.9	S516	D514-S516 PolarHBondContact O-N 3.29Å
515	A	29.8	Very low	26.4	Very low	117 Å²	117	138.6 Å²	138.6	97%	0.967	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	43.5	-176.7	0	0	0	0	0	114.4
516	S	31.9	Very low	26.4	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	4.1	179.9	63	0	0	0	0	115.3	D514	D514-S516 PolarHBondContact O-N 3.29Å
517	S	28.9	Very low	26.6	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	81%	0.813	S	S	*	*	S	Bend	trans	-123.2	70.5	179	57.3	0	0	0	0	112.4
518	G	25.8	Very low	26.8	Very low	71 Å²	71	144.6 Å²	144.6	73%	0.732	81%	0.814	S	S	*	*			trans	-168.3	37.3	-172.8	0	0	0	0	0	118.3
519	R	30.5	Very low	26.8	Very low	235 Å²	235	145.5 Å²	145.5	89%	0.887	82%	0.817	S	S	*	*			trans	-141.3	113.4	153.6	-76.9	-162.5	-177.2	-171.4	2.1	109.8	F521	R519-F521 PolarHBondContact O-N 3.32Å
520	G	25.3	Very low	26.8	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	81%	0.808	S	S	*	*			trans	-53.9	121.7	169.7	0	0	0	0	0	109.6	L522	G520-L522 PolarHBondContact O-N 2.93Å
521	F	25.1	Very low	26.9	Very low	203 Å²	203	142 Å²	142	89%	0.89	81%	0.807	S	S	*	*			trans	-59.8	102.7	171.6	-78.8	-96.2	0	0	0	108.9	R519	R519-F521 PolarHBondContact O-N 3.32Å
522	L	24.1	Very low	26.9	Very low	158 Å²	158	148.1 Å²	148.1	83%	0.827	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.5	133.1	146.1	-71.5	170.9	0	0	0	106.4	G520	G520-L522 PolarHBondContact O-N 2.93Å
523	P	26.1	Very low	27	Very low	107 Å²	107	148.3 Å²	148.3	70%	0.695	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-62.6	148	-175.2	25	-32.2	0	0	0	111	I525	P523-I525 PolarHBondContact O-N 3.43Å
524	P	27.4	Very low	27	Very low	125 Å²	125	146.1 Å²	146.1	81%	0.812	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62	133.1	-175.3	-16.9	29.8	0	0	0	111.2	D526	P524-D526 PolarHBondContact O-N 2.8Å
525	I	25.9	Very low	27.1	Very low	153 Å²	153	146.8 Å²	146.8	79%	0.785	82%	0.817	S	S	*	*			trans	-70.5	108.5	168.7	-64.4	165.6	0	0	0	106.5	P523 R527	P523-I525 PolarHBondContact O-N 3.43Å; I525-R527 PolarHBondContact O-N 2.75Å
526	D	27.9	Very low	27	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	81%	0.809	S	S	*	*			trans	-68.7	96.1	179.8	-142.1	-17.3	0	0	0	109.3	P524 N528	P524-D526 PolarHBondContact O-N 2.8Å; D526-N528 PolarHBondContact O-N 2.91Å
527	R	30.2	Very low	27	Very low	225 Å²	225	149.6 Å²	149.6	85%	0.849	81%	0.809	S	S	*	*			trans	-83.9	83.8	170.5	-74.4	-176.4	-179.5	178.6	0.1	107.5	I525	I525-R527 PolarHBondContact O-N 2.75Å
528	N	28	Very low	27.4	Very low	139 Å²	139	150.8 Å²	150.8	74%	0.743	81%	0.806	S	S	*	*			trans	-156.9	70.2	160	-88.2	-25.7	0	0	0	109.4	D526	D526-N528 PolarHBondContact O-N 2.91Å
529	I	26.7	Very low	27.8	Very low	169 Å²	169	149.9 Å²	149.9	87%	0.867	80%	0.797	S	S	*	*			trans	-100	15	166.5	-69.3	174.4	0	0	0	110.8
530	C	24.7	Very low	28.4	Very low	105 Å²	105	142 Å²	142	71%	0.709	78%	0.781	S	S	*	*			trans	-119.4	90.7	165.7	-90.7	0	0	0	0	108.3
531	D	26.5	Very low	29.2	Very low	163 Å²	163	142.8 Å²	142.8	87%	0.872	77%	0.77	S	S	*	*				-166	93.7	127.2	-86.5	-20.9	0	0	0	108.8
532	K	24.1	Very low	30	Very low	186 Å²	186	138.6 Å²	138.6	81%	0.809	76%	0.757	S	S	*	*			trans	-64.3	148.8	155.2	-97.3	175.6	169.9	175.5	0	108.2
533	F	25.2	Very low	30.8	Very low	200 Å²	200	137 Å²	137	88%	0.877	75%	0.745	S	S	*	*			trans	81.6	94.5	170.2	-62.3	-84.4	0	0	0	116.6
534	S	27.9	Very low	31.8	Very low	126 Å²	126	134.3 Å²	134.3	88%	0.881	73%	0.732	S	S	*	*				-157.2	119	111.2	-147.6	0	0	0	0	111.4
535	L	27.8	Very low	32.7	Very low	152 Å²	152	135.3 Å²	135.3	80%	0.796	72%	0.724	S	S	*	*			trans	-77.7	151.8	170.5	-153.1	89.2	0	0	0	108.1
536	M	27.4	Very low	33.7	Very low	161 Å²	161	136.3 Å²	136.3	79%	0.793	72%	0.717	S	S	*	*			trans	83.9	96.5	161.1	-44.5	-158.8	80.9	0	0	118.4
537	T	31.4	Very low	34.6	Very low	126 Å²	126	138 Å²	138	77%	0.773	71%	0.713	S	S	*	*			trans	-162.8	19.3	139.6	22.4	0	0	0	0	116	G539	T537-G539 VanDerWaalsContact C-N 3.35Å; T537-G539 PolarHBondContact O-N 3.37Å
538	D	37.6	Very low	35.3	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	4.1	-178.3	-72.8	-20	0	0	0	115.4
539	G	34.9	Very low	36.1	Very low	52 Å²	52	133.2 Å²	133.2	54%	0.536	70%	0.696	S	S	.	*	H	α-helix	trans	-74.9	-25.4	173.9	0	0	0	0	0	114.4	T537	T537-G539 VanDerWaalsContact C-N 3.35Å; T537-G539 PolarHBondContact O-N 3.37Å
540	A	41.3	Very low	36.9	Very low	68 Å²	68	132.6 Å²	132.6	56%	0.562	69%	0.687	S	S	*	*	H	α-helix	trans	-78.2	-36.8	-172.3	0	0	0	0	0	113.1	L542 Q543 A544	A540-L542 PolarHBondContact O-N 3.33Å; A540-Q543 PolarHBondContact O-N 3.41Å; A540-A544 PolarHBondContact O-N 3.23Å; A540-A544 VanDerWaalsContact O-N 3.15Å
541	V	43.9	Very low	37.6	Very low	96 Å²	96	133.9 Å²	133.9	58%	0.582	68%	0.683	S	S	*	*	H	α-helix	trans	-70	-33.9	-177	-178.4	0	0	0	0	111.7	K545	V541-K545 PolarHBondContact O-N 3.45Å
542	L	40.1	Very low	38.2	Very low	116 Å²	116	129.4 Å²	129.4	61%	0.607	66%	0.664	S	S	*	*	H	α-helix	trans	-73.9	-28.1	176.8	-99.1	123	0	0	0	113.6	A540 R546	A540-L542 PolarHBondContact O-N 3.33Å; L542-R546 WeakPolarHBondContact O-CG 3.34Å; L542-R546 PolarHBondContact O-N 3.19Å
543	Q	41.4	Very low	39	Very low	123 Å²	123	125.8 Å²	125.8	58%	0.575	65%	0.652	S	S	*	*	H	α-helix	trans	-78.4	-34.5	174.7	-73.1	-169.7	13.2	0	0	112.5	A540 R546 R547	A540-Q543 PolarHBondContact O-N 3.41Å; Q543-R546 PolarHBondContact O-N 3.21Å; Q543-R547 PolarHBondContact O-N 3.33Å; Q543-R547 VanDerWaalsContact O-N 3.14Å
544	A	46.7	Very low	39.4	Very low	52 Å²	52	123.1 Å²	123.1	43%	0.43	64%	0.643	S	S	.	*	H	α-helix	trans	-62	-47.5	175.7	0	0	0	0	0	111.7	A540 R546 R547 E548	A540-A544 PolarHBondContact O-N 3.23Å; A540-A544 VanDerWaalsContact O-N 3.15Å; A544-R546 VanDerWaalsContact C-N 3.29Å; A544-R546 PolarHBondContact O-N 3.02Å; A544-R547 PolarHBondContact O-N 3.4Å; A544-R547 VanDerWaalsContact O-N 3.08Å; A544-E548 PolarHBondContact O-N 2.91Å; A544-E548 VanDerWaalsContact O-N 3.14Å
545	K	46.3	Very low	39.6	Very low	146 Å²	146	122.9 Å²	122.9	64%	0.635	63%	0.632	S	S	*	*	H	α-helix	trans	-62.7	-31.2	176.5	-92.3	-177.7	172.9	177.9	0	114	V541 Q549	V541-K545 PolarHBondContact O-N 3.45Å; K545-Q549 PolarHBondContact O-N 2.86Å
546	R	47.1	Very low	39.9	Very low	173 Å²	173	122.6 Å²	122.6	65%	0.653	63%	0.631	S	S	*	*	H	α-helix	trans	-74	-26.8	175.1	-78.4	-178.8	176	174.7	0.6	113	L542 Q543 A544 K550	L542-R546 WeakPolarHBondContact O-CG 3.34Å; L542-R546 PolarHBondContact O-N 3.19Å; Q543-R546 PolarHBondContact O-N 3.21Å; A544-R546 VanDerWaalsContact C-N 3.29Å; A544-R546 PolarHBondContact O-N 3.02Å; R546-K550 PolarHBondContact O-N 2.87Å
547	R	46.4	Very low	40	Very low	178 Å²	178	123.3 Å²	123.3	67%	0.672	63%	0.63	S	S	*	*	H	α-helix	trans	-76.8	-39.4	175.3	-73.8	-178.8	178.5	174	0.5	111.6	Q543 A544 Q549 K550 Q551	Q543-R547 PolarHBondContact O-N 3.33Å; Q543-R547 VanDerWaalsContact O-N 3.14Å; A544-R547 PolarHBondContact O-N 3.4Å; A544-R547 VanDerWaalsContact O-N 3.08Å; R547-Q549 VanDerWaalsContact C-N 3.34Å; R547-Q549 PolarHBondContact O-N 3.19Å; R547-K550 PolarHBondContact O-N 3.14Å; R547-Q551 PolarHBondContact O-N 3.35Å
548	E	46.5	Very low	39.9	Very low	131 Å²	131	123.5 Å²	123.5	61%	0.612	63%	0.625	S	S	*	*	H	α-helix	trans	-62.4	-40.8	174	-71.4	176.8	172.6	0	0	111.9	A544 K550 Q551 S552	A544-E548 PolarHBondContact O-N 2.91Å; A544-E548 VanDerWaalsContact O-N 3.14Å; E548-K550 VanDerWaalsContact C-N 3.35Å; E548-K550 PolarHBondContact O-N 2.86Å; E548-Q551 PolarHBondContact O-N 3.49Å; E548-S552 PolarHBondContact O-N 2.91Å; E548-S552 VanDerWaalsContact O-N 3.13Å
549	Q	44	Very low	39.5	Very low	133 Å²	133	124.2 Å²	124.2	62%	0.621	62%	0.624	S	S	*	*	H	α-helix	trans	-70.5	-25.8	175.4	-78	-177.5	-7.3	0	0	114	K545 R547 S552 I553	K545-Q549 PolarHBondContact O-N 2.86Å; R547-Q549 VanDerWaalsContact C-N 3.34Å; R547-Q549 PolarHBondContact O-N 3.19Å; Q549-S552 PolarHBondContact O-OG 3.11Å; Q549-S552 VanDerWaalsContact O-OG 3.12Å; Q549-I553 WeakPolarHBondContact O-CD1 3.47Å; Q549-I553 WeakPolarHBondContact O-CG1 3.29Å
550	K	43.7	Very low	39.3	Very low	157 Å²	157	128.8 Å²	128.8	68%	0.683	64%	0.636	S	S	*	*	H	α-helix	trans	-78.6	-35.8	173.6	-81.2	-171.7	173.9	-169.9	0	112.1	R546 R547 E548 S552 I553 E554	R546-K550 PolarHBondContact O-N 2.87Å; R547-K550 PolarHBondContact O-N 3.14Å; E548-K550 VanDerWaalsContact C-N 3.35Å; E548-K550 PolarHBondContact O-N 2.86Å; K550-S552 VanDerWaalsContact C-N 3.34Å; K550-I553 PolarHBondContact O-N 3.32Å; K550-E554 PolarHBondContact O-N 2.87Å
551	Q	39.6	Very low	38.7	Very low	131 Å²	131	131.7 Å²	131.7	61%	0.612	64%	0.642	S	S	*	*	H	α-helix	trans	-68.6	-31.2	175.6	-78.6	179.4	-17.5	0	0	112.8	R547 E548 I553	R547-Q551 PolarHBondContact O-N 3.35Å; E548-Q551 PolarHBondContact O-N 3.49Å; Q551-I553 VanDerWaalsContact C-N 3.29Å; Q551-I553 PolarHBondContact O-N 3.31Å
552	S	38.7	Very low	38	Very low	70 Å²	70	132.5 Å²	132.5	49%	0.49	64%	0.641	S	S	.	*	H	α-helix	trans	-71	-24.2	172.4	65.5	0	0	0	0	113.2	E548 Q549 K550	E548-S552 PolarHBondContact O-N 2.91Å; E548-S552 VanDerWaalsContact O-N 3.13Å; Q549-S552 PolarHBondContact O-OG 3.11Å; Q549-S552 VanDerWaalsContact O-OG 3.12Å; K550-S552 VanDerWaalsContact C-N 3.34Å
553	I	41.3	Very low	37.2	Very low	109 Å²	109	134 Å²	134	56%	0.559	65%	0.649	S	S	*	*	H	α-helix	trans	-85.9	-25.5	-179.3	-64.3	166.9	0	0	0	112.1	Q549 K550 Q551	Q549-I553 WeakPolarHBondContact O-CD1 3.47Å; Q549-I553 WeakPolarHBondContact O-CG1 3.29Å; K550-I553 PolarHBondContact O-N 3.32Å; Q551-I553 VanDerWaalsContact C-N 3.29Å; Q551-I553 PolarHBondContact O-N 3.31Å
554	E	32.4	Very low	36.6	Very low	145 Å²	145	138 Å²	138	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-75.4	-26.6	175	-96.3	175.4	172.8	0	0	113.4	K550 D556 K557	K550-E554 PolarHBondContact O-N 2.87Å; E554-D556 VanDerWaalsContact C-N 3.29Å; E554-D556 PolarHBondContact O-N 3.24Å; E554-K557 PolarHBondContact O-N 3.45Å
555	N	33.4	Very low	35.6	Very low	120 Å²	120	143.8 Å²	143.8	64%	0.642	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-71.9	-20.6	178.4	-72.6	-14.2	0	0	0	113.8
556	D	33.5	Very low	34.8	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-87.7	-1.3	-179.1	-80.1	-13.7	0	0	0	113.9	E554	E554-D556 VanDerWaalsContact C-N 3.29Å; E554-D556 PolarHBondContact O-N 3.24Å
557	K	30.1	Very low	33.9	Very low	175 Å²	175	142.4 Å²	142.4	76%	0.761	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-101.2	4.4	176.8	-72	-169.4	178.5	-176.1	0	114.3	E554 E559	E554-K557 PolarHBondContact O-N 3.45Å; K557-E559 PolarHBondContact O-N 3.48Å
558	I	29.3	Very low	33	Very low	130 Å²	130	141.5 Å²	141.5	67%	0.667	70%	0.702	S	S	*	*	S	Bend	trans	-81.4	110.3	176.3	-59	177.9	0	0	0	108.7	N560	I558-N560 PolarHBondContact O-N 2.87Å
559	E	28	Very low	32.5	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	71%	0.708	S	S	*	*			trans	-45.1	119.5	175	-65.2	171.5	150.4	0	0	112.5	K557 N561	K557-E559 PolarHBondContact O-N 3.48Å; E559-N561 PolarHBondContact O-N 2.89Å
560	N	32.5	Very low	31.8	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	72%	0.721	S	S	*	*			trans	-80.8	69.1	160.1	-78	-39.8	0	0	0	109.3	I558 I562	I558-N560 PolarHBondContact O-N 2.87Å; N560-I562 VanDerWaalsContact C-N 3.34Å; N560-I562 PolarHBondContact O-N 3.33Å
561	N	27.1	Very low	31.4	Very low	128 Å²	128	145.4 Å²	145.4	68%	0.684	73%	0.732	S	S	*	*			trans	-85.3	80.3	156	-89.6	-21.3	0	0	0	107.5	E559	E559-N561 PolarHBondContact O-N 2.89Å
562	I	28.9	Very low	31.2	Very low	113 Å²	113	144.1 Å²	144.1	58%	0.579	74%	0.737	S	S	*	*			trans	-112.1	93.8	167.5	-55.4	179.9	0	0	0	107.2	N560 Y564	N560-I562 VanDerWaalsContact C-N 3.34Å; N560-I562 PolarHBondContact O-N 3.33Å; I562-Y564 HydrophobicContact CG2-CD2 3.67Å; I562-Y564 HydrophobicContact CG2-CE2 3.31Å; I562-Y564 PolarHBondContact O-N 2.9Å
563	I	25.2	Very low	31	Very low	149 Å²	149	148 Å²	148	76%	0.764	75%	0.752	S	S	*	*			trans	-74.5	110.9	170.1	-61.4	166.2	0	0	0	106.4
564	Y	27.9	Very low	30.8	Very low	207 Å²	207	150.8 Å²	150.8	81%	0.812	77%	0.768	S	S	*	*			trans	-99	113.9	161	-80.3	-74.7	0	0	0	108.1	I562	I562-Y564 HydrophobicContact CG2-CD2 3.67Å; I562-Y564 HydrophobicContact CG2-CE2 3.31Å; I562-Y564 PolarHBondContact O-N 2.9Å
565	E	26.6	Very low	31.4	Very low	172 Å²	172	150 Å²	150	80%	0.804	78%	0.778	S	S	*	*			trans	-60.9	144.3	172.3	-83.3	178.6	146.5	0	0	111.6	M567	E565-M567 PolarHBondContact O-N 3.12Å
566	P	29	Very low	32.3	Very low	121 Å²	121	149.2 Å²	149.2	79%	0.786	78%	0.782	S	S	*	*			trans	-80.7	112	-175	31.1	-31.2	0	0	0	111.2	N568	P566-N568 PolarHBondContact O-N 3.21Å
567	M	27.6	Very low	33.4	Very low	169 Å²	169	147.5 Å²	147.5	83%	0.833	78%	0.782	S	S	*	*			trans	-76.7	112.9	164.2	-85.4	-83.1	-69.3	0	0	109.7	E565 I569	E565-M567 PolarHBondContact O-N 3.12Å; M567-I569 PolarHBondContact O-N 3.39Å
568	N	28.1	Very low	35.1	Very low	159 Å²	159	142.1 Å²	142.1	85%	0.85	77%	0.765	S	S	*	*			trans	-58.5	115.1	167.2	-83.2	-35.2	0	0	0	110.7	P566	P566-N568 PolarHBondContact O-N 3.21Å
569	I	35.5	Very low	37.3	Very low	145 Å²	145	141.4 Å²	141.4	74%	0.744	76%	0.762	S	S	*	*			trans	-136.1	123.1	154.9	-60	-178.1	0	0	0	108.1	M567 N571	M567-I569 PolarHBondContact O-N 3.39Å; I569-N571 PolarHBondContact O-N 2.84Å
570	E	30.5	Very low	39.6	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	77%	0.765	S	S	*	*			trans	-60.2	122.8	-176.4	-65.4	171.4	153.3	0	0	112	S572	E570-S572 PolarHBondContact O-N 3.38Å
571	N	34.3	Very low	41.7	Very low	170 Å²	170	143.2 Å²	143.2	91%	0.909	76%	0.757	S	S	*	*			trans	-80.5	110.1	173.3	-86.7	-26.2	0	0	0	110.4	I569	I569-N571 PolarHBondContact O-N 2.84Å
572	S	34.8	Very low	44.1	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	75%	0.75	S	S	*	*			trans	-108.3	116.4	151.2	56.2	0	0	0	0	108.7	E570	E570-S572 PolarHBondContact O-N 3.38Å
573	N	35.2	Very low	46.5	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	74%	0.738	S	S	*	*	S	Bend	trans	44.8	93.8	156	-60.9	-25.6	0	0	0	118.4
574	L	36.9	Very low	49.2	Very low	169 Å²	169	137.3 Å²	137.3	89%	0.885	73%	0.725	S	S	*	*				174.4	128.2	122.9	-109.7	89.2	0	0	0	106.8	S576	L574-S576 PolarHBondContact O-N 2.9Å
575	S	45.3	Very low	51.8	Low	127 Å²	127	130.2 Å²	130.2	89%	0.888	70%	0.699	S	S	*	*			trans	-60	92	-178.7	56.1	0	0	0	0	111.8	S577	S575-S577 PolarHBondContact O-N 3.48Å
576	S	53.4	Low	54.3	Low	104 Å²	104	126.7 Å²	126.7	73%	0.727	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-65.5	128.2	168.8	52.7	0	0	0	0	108.5	L574	L574-S576 PolarHBondContact O-N 2.9Å
577	S	55.8	Low	56.9	Low	112 Å²	112	125.3 Å²	125.3	78%	0.783	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-50	137.5	174.1	-79.1	0	0	0	0	110.7	S575	S575-S577 PolarHBondContact O-N 3.48Å
578	P	65.1	Low	59.6	Low	62 Å²	62	119.2 Å²	119.2	40%	0.403	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-58.3	144.3	-177.1	21.5	-31.3	0	0	0	111	E582 A583	P578-E582 HydrophobicContact CB-CB 3.84Å; P578-A583 HydrophobicContact CB-CB 4.4Å; P578-A583 HydrophobicContact CG-CB 4.19Å
579	N	76.5	Confident	62	Low	114 Å²	114	120.2 Å²	120.2	61%	0.61	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.1	155	174.1	-173.6	-2.3	0	0	0	109.5	Y581 E582 A583	N579-Y581 PolarHBondContact O-N 2.88Å; N579-E582 PolarHBondContact N-OE2 2.92Å; N579-E582 WeakPolarHBondContact O-CA 3.11Å; N579-E582 WeakPolarHBondContact O-CB 3.27Å; N579-E582 PolarHBondContact O-N 2.66Å; N579-A583 PolarHBondContact O-N 3.17Å
580	K	74.8	Confident	64	Low	182 Å²	182	120.6 Å²	120.6	79%	0.791	62%	0.624	S	S	*	*	H	α-helix	trans	-47.7	-38.3	-178	-177.3	-178.3	177.1	-176	0	113.3	F584	K580-F584 WeakPolarHBondContact O-CB 3.41Å; K580-F584 PolarHBondContact O-N 3.21Å; K580-F584 VanDerWaalsContact O-N 3.15Å
581	Y	76.8	Confident	66	Low	162 Å²	162	116.3 Å²	116.3	64%	0.635	61%	0.613	S	S	*	*	H	α-helix	trans	-68	-47.3	176.5	-178.1	-96.4	0	0	0	112.1	N579 F584 E585	N579-Y581 PolarHBondContact O-N 2.88Å; Y581-F584 WeakPolarHBondContact O-CB 3.43Å; Y581-F584 PolarHBondContact O-N 2.8Å; Y581-E585 HydrophobicContact CD1-CG 4.24Å; Y581-E585 HydrophobicContact CE1-CG 3.77Å; Y581-E585 HydrophobicContact CE2-CG 4.49Å; Y581-E585 PolarHBondContact O-N 2.92Å
582	E	78.7	Confident	68.1	Low	113 Å²	113	108.2 Å²	108.2	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-63.3	-44.2	177.8	-66.4	172.5	161.2	0	0	111.7	P578 N579 F584 E585 E586	P578-E582 HydrophobicContact CB-CB 3.84Å; N579-E582 PolarHBondContact N-OE2 2.92Å; N579-E582 WeakPolarHBondContact O-CA 3.11Å; N579-E582 WeakPolarHBondContact O-CB 3.27Å; N579-E582 PolarHBondContact O-N 2.66Å; E582-F584 PolarHBondContact O-N 3Å; E582-E585 PolarHBondContact O-N 3.32Å; E582-E586 WeakPolarHBondContact O-CB 3.34Å; E582-E586 PolarHBondContact O-N 2.9Å
583	A	79.3	Confident	70.5	Confident	41 Å²	41	106 Å²	106	34%	0.339	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-33.3	175.4	0	0	0	0	0	112	P578 N579 F587	P578-A583 HydrophobicContact CB-CB 4.4Å; P578-A583 HydrophobicContact CG-CB 4.19Å; N579-A583 PolarHBondContact O-N 3.17Å; A583-F587 VanDerWaalsContact O-CB 3.29Å; A583-F587 WeakPolarHBondContact O-CB 3.34Å; A583-F587 PolarHBondContact O-N 3.15Å
584	F	81	Confident	72.8	Confident	111 Å²	111	105.9 Å²	105.9	49%	0.487	55%	0.548	S	S	.	.	H	α-helix	trans	-74.8	-41.4	175.7	-174.9	-116.2	0	0	0	112.3	K580 Y581 E582 E586 F587 K588	K580-F584 WeakPolarHBondContact O-CB 3.41Å; K580-F584 PolarHBondContact O-N 3.21Å; K580-F584 VanDerWaalsContact O-N 3.15Å; Y581-F584 WeakPolarHBondContact O-CB 3.43Å; Y581-F584 PolarHBondContact O-N 2.8Å; E582-F584 PolarHBondContact O-N 3Å; F584-E586 VanDerWaalsContact C-N 3.33Å; F584-F587 PolarHBondContact O-N 3.41Å; F584-K588 HydrophobicContact CE1-CD 4.38Å; F584-K588 WeakPolarHBondContact O-CG 3.5Å; F584-K588 PolarHBondContact O-N 3.21Å
585	E	81.9	Confident	75	Confident	58 Å²	58	103 Å²	103	27%	0.271	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-33.9	173.3	-69.8	-55.5	132.5	0	0	112.3	Y581 E582 K588 R589	Y581-E585 HydrophobicContact CD1-CG 4.24Å; Y581-E585 HydrophobicContact CE1-CG 3.77Å; Y581-E585 HydrophobicContact CE2-CG 4.49Å; Y581-E585 PolarHBondContact O-N 2.92Å; E582-E585 PolarHBondContact O-N 3.32Å; E585-K588 IonicContact OE1-NZ 3.77Å; E585-K588 PolarHBondContact OE1-NZ 3.08Å; E585-K588 IonicContact OE2-NZ 3.72Å; E585-R589 WeakPolarHBondContact O-CG 3.42Å; E585-R589 PolarHBondContact O-N 2.85Å; E585-R589 PolarHBondContact O-NE 2.75Å
586	E	80.7	Confident	77	Confident	99 Å²	99	100.7 Å²	100.7	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-69.3	-42.8	171.8	-167.7	166.9	-154.6	0	0	111.7	E582 F584 K588 R589 E590	E582-E586 WeakPolarHBondContact O-CB 3.34Å; E582-E586 PolarHBondContact O-N 2.9Å; F584-E586 VanDerWaalsContact C-N 3.33Å; E586-K588 VanDerWaalsContact C-N 3.32Å; E586-K588 PolarHBondContact O-N 2.74Å; E586-R589 PolarHBondContact O-N 2.74Å; E586-E590 PolarHBondContact O-N 2.97Å
587	F	83.7	Confident	78.5	Confident	92 Å²	92	98.5 Å²	98.5	40%	0.404	49%	0.492	S	S	.	.	H	α-helix	trans	-58.3	-42.1	172.8	-179.9	-96.8	0	0	0	112.1	A583 F584 R589 P591 G592 L595	A583-F587 VanDerWaalsContact O-CB 3.29Å; A583-F587 WeakPolarHBondContact O-CB 3.34Å; A583-F587 PolarHBondContact O-N 3.15Å; F584-F587 PolarHBondContact O-N 3.41Å; F587-R589 PolarHBondContact O-N 2.8Å; F587-P591 HydrophobicContact CD2-CB 4.33Å; F587-P591 HydrophobicContact CD2-CG 3.62Å; F587-P591 HydrophobicContact CE2-CB 4.29Å; F587-P591 HydrophobicContact CE2-CG 4.07Å; F587-P591 HydrophobicContact CG-CG 4.4Å; F587-G592 VanDerWaalsContact CE1-CA 3.5Å; F587-G592 CarbonylContact O-C 3.51Å; F587-G592 WeakPolarHBondContact O-CA 3.25Å; F587-G592 PolarHBondContact O-N 3.01Å; F587-L595 HydrophobicContact CZ-CD1 4.15Å
588	K	83.9	Confident	80.1	Confident	41 Å²	41	96.5 Å²	96.5	18%	0.178	47%	0.472	C	S	.	.	H	α-helix	trans	-61.2	-28.6	174.4	-72.9	177.3	-172.2	170.7	0	113.4	F584 E585 E586 S593 F596	F584-K588 HydrophobicContact CE1-CD 4.38Å; F584-K588 WeakPolarHBondContact O-CG 3.5Å; F584-K588 PolarHBondContact O-N 3.21Å; E585-K588 IonicContact OE1-NZ 3.77Å; E585-K588 PolarHBondContact OE1-NZ 3.08Å; E585-K588 IonicContact OE2-NZ 3.72Å; E586-K588 VanDerWaalsContact C-N 3.32Å; E586-K588 PolarHBondContact O-N 2.74Å; K588-S593 WeakPolarHBondContact O-CA 3.41Å; K588-S593 WeakPolarHBondContact O-CB 3.47Å; K588-F596 HydrophobicContact CB-CD1 4.49Å; K588-F596 HydrophobicContact CB-CG 4.25Å; K588-F596 HydrophobicContact CD-CD2 3.77Å; K588-F596 HydrophobicContact CD-CE1 4.43Å; K588-F596 HydrophobicContact CD-CE2 3.65Å; K588-F596 HydrophobicContact CD-CG 4.22Å; K588-F596 HydrophobicContact CD-CZ 4Å; K588-F596 HydrophobicContact CG-CB 4.3Å; K588-F596 HydrophobicContact CG-CD1 4.48Å; K588-F596 HydrophobicContact CG-CD2 3.71Å; K588-F596 HydrophobicContact CG-CE2 4.14Å; K588-F596 HydrophobicContact CG-CG 3.9Å
589	R	78.9	Confident	81.2	Confident	180 Å²	180	100 Å²	100	68%	0.679	48%	0.478	S	S	*	.	H	α-helix	trans	-82.3	-40.6	-176.4	-77.5	-175.2	-70.7	166.7	2.5	113.1	E585 E586 F587	E585-R589 WeakPolarHBondContact O-CG 3.42Å; E585-R589 PolarHBondContact O-N 2.85Å; E585-R589 PolarHBondContact O-NE 2.75Å; E586-R589 PolarHBondContact O-N 2.74Å; F587-R589 PolarHBondContact O-N 2.8Å
590	E	77.2	Confident	81.9	Confident	153 Å²	153	97.8 Å²	97.8	72%	0.715	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-86.7	-175.7	-74.3	-168.6	176.6	0	0	113.4	E586 G592 S593	E586-E590 PolarHBondContact O-N 2.97Å; E590-G592 VanDerWaalsContact C-N 3.25Å; E590-G592 PolarHBondContact O-N 3.25Å; E590-S593 PolarHBondContact O-N 2.99Å; E590-S593 PolarHBondContact O-OG 2.89Å
591	P	71.9	Confident	82.6	Confident	98 Å²	98	94.5 Å²	94.5	64%	0.636	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.8	-168.6	27.4	-36.2	0	0	0	113.7	F587	F587-P591 HydrophobicContact CD2-CB 4.33Å; F587-P591 HydrophobicContact CD2-CG 3.62Å; F587-P591 HydrophobicContact CE2-CB 4.29Å; F587-P591 HydrophobicContact CE2-CG 4.07Å; F587-P591 HydrophobicContact CG-CG 4.4Å
592	G	78.9	Confident	83.3	Confident	0 Å²	0	91.2 Å²	91.2	0%	0	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	7.8	-177.3	0	0	0	0	0	114.4	F587 E590 E594 L595 F596	F587-G592 VanDerWaalsContact CE1-CA 3.5Å; F587-G592 CarbonylContact O-C 3.51Å; F587-G592 WeakPolarHBondContact O-CA 3.25Å; F587-G592 PolarHBondContact O-N 3.01Å; E590-G592 VanDerWaalsContact C-N 3.25Å; E590-G592 PolarHBondContact O-N 3.25Å; G592-E594 VanDerWaalsContact C-N 3.33Å; G592-E594 PolarHBondContact O-N 2.95Å; G592-L595 PolarHBondContact O-N 3.42Å; G592-F596 WeakPolarHBondContact O-CB 3.27Å; G592-F596 PolarHBondContact O-N 3.3Å
593	S	84.1	Confident	84	Confident	57 Å²	57	90.7 Å²	90.7	40%	0.399	44%	0.441	S	S	.	.	H	α-helix	trans	-57.8	-43.2	-177.6	57.5	0	0	0	0	112.9	K588 E590 F596 S597	K588-S593 WeakPolarHBondContact O-CA 3.41Å; K588-S593 WeakPolarHBondContact O-CB 3.47Å; E590-S593 PolarHBondContact O-N 2.99Å; E590-S593 PolarHBondContact O-OG 2.89Å; S593-F596 PolarHBondContact O-N 3.32Å; S593-S597 WeakPolarHBondContact O-CB 3.44Å; S593-S597 PolarHBondContact O-N 2.92Å
594	E	84	Confident	84.6	Confident	148 Å²	148	92.4 Å²	92.4	69%	0.692	44%	0.444	S	S	*	.	H	α-helix	trans	-64.1	-46.3	175.3	-172.1	178.5	-171.6	0	0	111.6	G592 F596 S597 I598	G592-E594 VanDerWaalsContact C-N 3.33Å; G592-E594 PolarHBondContact O-N 2.95Å; E594-F596 VanDerWaalsContact C-N 3.32Å; E594-F596 PolarHBondContact O-N 3.27Å; E594-S597 WeakPolarHBondContact O-CB 3.28Å; E594-S597 PolarHBondContact O-N 2.91Å; E594-I598 HydrophobicContact CG-CD1 4.14Å; E594-I598 VanDerWaalsContact O-CG1 3.31Å; E594-I598 WeakPolarHBondContact O-CG1 3.42Å; E594-I598 PolarHBondContact O-N 3.36Å
595	L	84.2	Confident	85.1	Confident	110 Å²	110	91.2 Å²	91.2	58%	0.576	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-39.2	176.4	-74.1	171.6	0	0	0	112.1	F587 G592 I598 Y599	F587-L595 HydrophobicContact CZ-CD1 4.15Å; G592-L595 PolarHBondContact O-N 3.42Å; L595-I598 PolarHBondContact O-N 3.49Å; L595-Y599 WeakPolarHBondContact O-CB 3.45Å; L595-Y599 PolarHBondContact O-N 2.86Å
596	F	86	Confident	85.5	Confident	77 Å²	77	93 Å²	93	34%	0.338	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-39.1	176.5	-176.6	-108.7	0	0	0	111.5	K588 G592 S593 E594 Y599 Q600	K588-F596 HydrophobicContact CB-CD1 4.49Å; K588-F596 HydrophobicContact CB-CG 4.25Å; K588-F596 HydrophobicContact CD-CD2 3.77Å; K588-F596 HydrophobicContact CD-CE1 4.43Å; K588-F596 HydrophobicContact CD-CE2 3.65Å; K588-F596 HydrophobicContact CD-CG 4.22Å; K588-F596 HydrophobicContact CD-CZ 4Å; K588-F596 HydrophobicContact CG-CB 4.3Å; K588-F596 HydrophobicContact CG-CD1 4.48Å; K588-F596 HydrophobicContact CG-CD2 3.71Å; K588-F596 HydrophobicContact CG-CE2 4.14Å; K588-F596 HydrophobicContact CG-CG 3.9Å; G592-F596 WeakPolarHBondContact O-CB 3.27Å; G592-F596 PolarHBondContact O-N 3.3Å; S593-F596 PolarHBondContact O-N 3.32Å; E594-F596 VanDerWaalsContact C-N 3.32Å; E594-F596 PolarHBondContact O-N 3.27Å; F596-Y599 HydrophobicContact CD2-CD1 4.41Å; F596-Y599 HydrophobicContact CE2-CD1 4.42Å; F596-Y599 PolarHBondContact O-N 3.07Å; F596-Q600 WeakPolarHBondContact O-CB 3.46Å; F596-Q600 PolarHBondContact O-N 3.43Å
597	S	86	Confident	86.1	Confident	59 Å²	59	93.3 Å²	93.3	41%	0.413	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-47.8	172.6	-173.4	0	0	0	0	111.6	S593 E594 Y599 Q600 Q601	S593-S597 WeakPolarHBondContact O-CB 3.44Å; S593-S597 PolarHBondContact O-N 2.92Å; E594-S597 WeakPolarHBondContact O-CB 3.28Å; E594-S597 PolarHBondContact O-N 2.91Å; S597-Y599 VanDerWaalsContact C-N 3.34Å; S597-Y599 PolarHBondContact O-N 3.37Å; S597-Q600 PolarHBondContact O-N 3.03Å; S597-Q601 WeakPolarHBondContact O-CG 3.47Å; S597-Q601 PolarHBondContact O-N 2.93Å
598	I	88.2	Confident	86.5	Confident	70 Å²	70	93.4 Å²	93.4	36%	0.359	46%	0.457	S	S	.	.	H	α-helix	trans	-61	-43.2	175.2	-67.6	166.3	0	0	0	110.9	E594 L595 Q600 Q601 N602	E594-I598 HydrophobicContact CG-CD1 4.14Å; E594-I598 VanDerWaalsContact O-CG1 3.31Å; E594-I598 WeakPolarHBondContact O-CG1 3.42Å; E594-I598 PolarHBondContact O-N 3.36Å; L595-I598 PolarHBondContact O-N 3.49Å; I598-Q600 PolarHBondContact O-N 3.14Å; I598-Q601 PolarHBondContact O-N 3.18Å; I598-N602 WeakPolarHBondContact O-CB 3.47Å; I598-N602 VanDerWaalsContact O-CG 3.3Å; I598-N602 PolarHBondContact O-N 3.4Å; I598-N602 PolarHBondContact O-ND2 3.33Å
599	Y	89	Confident	86.9	Confident	134 Å²	134	95.8 Å²	95.8	53%	0.525	47%	0.472	S	S	.	.	H	α-helix	trans	-59.5	-45.5	175.5	170	-96.5	0	0	0	111.6	L595 F596 S597 N602 K603	L595-Y599 WeakPolarHBondContact O-CB 3.45Å; L595-Y599 PolarHBondContact O-N 2.86Å; F596-Y599 HydrophobicContact CD2-CD1 4.41Å; F596-Y599 HydrophobicContact CE2-CD1 4.42Å; F596-Y599 PolarHBondContact O-N 3.07Å; S597-Y599 VanDerWaalsContact C-N 3.34Å; S597-Y599 PolarHBondContact O-N 3.37Å; Y599-N602 PolarHBondContact O-N 3.35Å; Y599-K603 HydrophobicContact CE1-CD 4.31Å; Y599-K603 WeakPolarHBondContact O-CB 3.4Å; Y599-K603 PolarHBondContact O-N 2.94Å
600	Q	90	Very high	87.6	Confident	69 Å²	69	95.8 Å²	95.8	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-39.3	179.6	-170	59.4	59.9	0	0	111.8	F596 S597 I598 K603 N604	F596-Q600 WeakPolarHBondContact O-CB 3.46Å; F596-Q600 PolarHBondContact O-N 3.43Å; S597-Q600 PolarHBondContact O-N 3.03Å; I598-Q600 PolarHBondContact O-N 3.14Å; Q600-K603 PolarHBondContact O-N 3.2Å; Q600-N604 PolarHBondContact NE2-OD1 2.89Å; Q600-N604 VanDerWaalsContact O-CG 3.28Å; Q600-N604 PolarHBondContact O-N 2.62Å; Q600-N604 PolarHBondContact O-OD1 3.45Å
601	Q	90.8	Very high	88.3	Confident	113 Å²	113	93.1 Å²	93.1	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-47.6	172.2	-72.9	177.7	2.5	0	0	111.6	S597 I598 K603 N604 L605	S597-Q601 WeakPolarHBondContact O-CG 3.47Å; S597-Q601 PolarHBondContact O-N 2.93Å; I598-Q601 PolarHBondContact O-N 3.18Å; Q601-K603 VanDerWaalsContact C-N 3.3Å; Q601-K603 PolarHBondContact O-N 2.77Å; Q601-N604 PolarHBondContact O-N 2.96Å; Q601-L605 WeakPolarHBondContact O-CB 3.37Å; Q601-L605 WeakPolarHBondContact O-CG 3.37Å; Q601-L605 PolarHBondContact O-N 3.23Å
602	N	91.2	Very high	89.3	Confident	93 Å²	93	94.4 Å²	94.4	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-36.1	177.5	-75.6	-24.9	0	0	0	112.3	I598 Y599 L606	I598-N602 WeakPolarHBondContact O-CB 3.47Å; I598-N602 VanDerWaalsContact O-CG 3.3Å; I598-N602 PolarHBondContact O-N 3.4Å; I598-N602 PolarHBondContact O-ND2 3.33Å; Y599-N602 PolarHBondContact O-N 3.35Å; N602-L606 VanDerWaalsContact O-CB 3.25Å; N602-L606 WeakPolarHBondContact O-CB 3.46Å; N602-L606 PolarHBondContact O-N 3.35Å
603	K	93	Very high	89.9	Confident	101 Å²	101	96.2 Å²	96.2	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-44.5	174.3	-175.1	178.1	176.6	-178.1	0	111.2	Y599 Q600 Q601 L606 Q607	Y599-K603 HydrophobicContact CE1-CD 4.31Å; Y599-K603 WeakPolarHBondContact O-CB 3.4Å; Y599-K603 PolarHBondContact O-N 2.94Å; Q600-K603 PolarHBondContact O-N 3.2Å; Q601-K603 VanDerWaalsContact C-N 3.3Å; Q601-K603 PolarHBondContact O-N 2.77Å; K603-L606 PolarHBondContact O-N 2.85Å; K603-Q607 PolarHBondContact O-N 2.79Å
604	N	92.2	Very high	90.4	Very high	77 Å²	77	99.3 Å²	99.3	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-45.8	176.5	-67.3	-5.8	0	0	0	111.4	Q600 Q601 L606 Q607 E608	Q600-N604 PolarHBondContact NE2-OD1 2.89Å; Q600-N604 VanDerWaalsContact O-CG 3.28Å; Q600-N604 PolarHBondContact O-N 2.62Å; Q600-N604 PolarHBondContact O-OD1 3.45Å; Q601-N604 PolarHBondContact O-N 2.96Å; N604-L606 VanDerWaalsContact C-N 3.3Å; N604-L606 PolarHBondContact O-N 2.9Å; N604-Q607 WeakPolarHBondContact O-CB 3.35Å; N604-Q607 PolarHBondContact O-N 3.48Å; N604-Q607 VanDerWaalsContact O-N 3.1Å; N604-E608 PolarHBondContact O-N 2.83Å
605	L	91	Very high	90.8	Very high	87 Å²	87	99 Å²	99	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-58.8	-40.7	175.2	-76.7	171.2	0	0	0	112.3	Q601 Q607 E608 N609	Q601-L605 WeakPolarHBondContact O-CB 3.37Å; Q601-L605 WeakPolarHBondContact O-CG 3.37Å; Q601-L605 PolarHBondContact O-N 3.23Å; L605-Q607 VanDerWaalsContact C-N 3.34Å; L605-E608 PolarHBondContact O-N 3.46Å; L605-N609 WeakPolarHBondContact O-CB 3.45Å; L605-N609 VanDerWaalsContact O-CG 3.28Å; L605-N609 PolarHBondContact O-N 2.95Å; L605-N609 PolarHBondContact O-ND2 2.82Å
606	L	91.3	Very high	91.2	Very high	94 Å²	94	98.4 Å²	98.4	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-63.7	-40.9	175.6	-179.2	64.3	0	0	0	111.4	N602 K603 N604 N609 R610	N602-L606 VanDerWaalsContact O-CB 3.25Å; N602-L606 WeakPolarHBondContact O-CB 3.46Å; N602-L606 PolarHBondContact O-N 3.35Å; K603-L606 PolarHBondContact O-N 2.85Å; N604-L606 VanDerWaalsContact C-N 3.3Å; N604-L606 PolarHBondContact O-N 2.9Å; L606-N609 PolarHBondContact O-N 2.71Å; L606-R610 WeakPolarHBondContact O-CB 3.38Å; L606-R610 WeakPolarHBondContact O-CG 3.35Å; L606-R610 PolarHBondContact O-N 3.46Å
607	Q	92.2	Very high	91.5	Very high	106 Å²	106	96.9 Å²	96.9	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-46.5	177.2	-173.8	171.8	-15.5	0	0	111.5	K603 N604 L605 N609 R610 E611	K603-Q607 PolarHBondContact O-N 2.79Å; N604-Q607 WeakPolarHBondContact O-CB 3.35Å; N604-Q607 PolarHBondContact O-N 3.48Å; N604-Q607 VanDerWaalsContact O-N 3.1Å; L605-Q607 VanDerWaalsContact C-N 3.34Å; Q607-N609 VanDerWaalsContact C-N 3.32Å; Q607-N609 PolarHBondContact O-N 3.39Å; Q607-R610 WeakPolarHBondContact O-CB 3.31Å; Q607-R610 PolarHBondContact O-N 3.28Å; Q607-R610 VanDerWaalsContact O-N 3.16Å; Q607-E611 WeakPolarHBondContact O-CG 3.29Å; Q607-E611 PolarHBondContact O-N 3.22Å
608	E	93	Very high	91.8	Very high	95 Å²	95	97.5 Å²	97.5	44%	0.444	48%	0.481	S	S	.	.	H	α-helix	trans	-59.1	-42.8	174.5	-73	-177.9	-168.8	0	0	112.2	N604 L605 R610 E611 K612	N604-E608 PolarHBondContact O-N 2.83Å; L605-E608 PolarHBondContact O-N 3.46Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 3.38Å; E608-E611 PolarHBondContact O-N 3.35Å; E608-K612 WeakPolarHBondContact O-CG 3.34Å; E608-K612 PolarHBondContact O-N 2.93Å
609	N	92.5	Very high	92.1	Very high	91 Å²	91	99.2 Å²	99.2	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-34.8	177.8	-76.7	-18.8	0	0	0	112.2	L605 L606 Q607 G613	L605-N609 WeakPolarHBondContact O-CB 3.45Å; L605-N609 VanDerWaalsContact O-CG 3.28Å; L605-N609 PolarHBondContact O-N 2.95Å; L605-N609 PolarHBondContact O-ND2 2.82Å; L606-N609 PolarHBondContact O-N 2.71Å; Q607-N609 VanDerWaalsContact C-N 3.32Å; Q607-N609 PolarHBondContact O-N 3.39Å; N609-G613 PolarHBondContact O-N 2.89Å
610	R	92.4	Very high	92.3	Very high	180 Å²	180	97.3 Å²	97.3	68%	0.679	49%	0.486	S	S	*	.	H	α-helix	trans	-64.4	-42.1	171.5	-78.7	177.2	175.1	-176.2	-1.1	111.5	L606 Q607 E608 G613 L614	L606-R610 WeakPolarHBondContact O-CB 3.38Å; L606-R610 WeakPolarHBondContact O-CG 3.35Å; L606-R610 PolarHBondContact O-N 3.46Å; Q607-R610 WeakPolarHBondContact O-CB 3.31Å; Q607-R610 PolarHBondContact O-N 3.28Å; Q607-R610 VanDerWaalsContact O-N 3.16Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 3.38Å; R610-G613 PolarHBondContact O-N 3.06Å; R610-L614 WeakPolarHBondContact O-CB 3.47Å; R610-L614 PolarHBondContact O-N 3.47Å
611	E	93	Very high	92.4	Very high	97 Å²	97	98.8 Å²	98.8	45%	0.453	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-43	176.4	-71.6	176.9	-167.6	0	0	112.2	Q607 E608 L614 K615	Q607-E611 WeakPolarHBondContact O-CG 3.29Å; Q607-E611 PolarHBondContact O-N 3.22Å; E608-E611 PolarHBondContact O-N 3.35Å; E611-L614 PolarHBondContact O-N 3.29Å; E611-K615 WeakPolarHBondContact O-CG 3.48Å; E611-K615 PolarHBondContact O-N 2.98Å
612	K	92.6	Very high	92.6	Very high	124 Å²	124	99.2 Å²	99.2	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-45.8	173	-72	170.9	-173.8	165.4	0	111.4	E608 L614 K615 L616	E608-K612 WeakPolarHBondContact O-CG 3.34Å; E608-K612 PolarHBondContact O-N 2.93Å; K612-L614 VanDerWaalsContact C-N 3.35Å; K612-L614 PolarHBondContact O-N 2.88Å; K612-K615 PolarHBondContact O-N 2.68Å; K612-L616 WeakPolarHBondContact O-CB 3.45Å; K612-L616 PolarHBondContact O-N 3.11Å
613	G	91.7	Very high	92.7	Very high	39 Å²	39	99.1 Å²	99.1	40%	0.402	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177	0	0	0	0	0	112.8	N609 R610 A617	N609-G613 PolarHBondContact O-N 2.89Å; R610-G613 PolarHBondContact O-N 3.06Å; G613-A617 WeakPolarHBondContact O-CB 3.41Å; G613-A617 PolarHBondContact O-N 3.49Å
614	L	93.8	Very high	92.8	Very high	122 Å²	122	100.4 Å²	100.4	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-46.4	175.4	-168.7	79.8	0	0	0	111.3	R610 E611 K612 L616 A617 T618	R610-L614 WeakPolarHBondContact O-CB 3.47Å; R610-L614 PolarHBondContact O-N 3.47Å; E611-L614 PolarHBondContact O-N 3.29Å; K612-L614 VanDerWaalsContact C-N 3.35Å; K612-L614 PolarHBondContact O-N 2.88Å; L614-L616 PolarHBondContact O-N 3.47Å; L614-A617 PolarHBondContact O-N 2.92Å; L614-T618 WeakPolarHBondContact O-CG2 3.11Å; L614-T618 PolarHBondContact O-N 2.82Å; L614-T618 PolarHBondContact O-OG1 3.21Å
615	K	93.6	Very high	92.8	Very high	142 Å²	142	100.2 Å²	100.2	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-58.4	-47.8	176.1	-73.5	175.2	-177.4	176.8	0	111.5	E611 K612 A617 T618 E619	E611-K615 WeakPolarHBondContact O-CG 3.48Å; E611-K615 PolarHBondContact O-N 2.98Å; K612-K615 PolarHBondContact O-N 2.68Å; K615-A617 VanDerWaalsContact C-N 3.35Å; K615-A617 PolarHBondContact O-N 2.79Å; K615-T618 WeakPolarHBondContact CA-OG1 3.35Å; K615-T618 PolarHBondContact O-N 2.89Å; K615-T618 PolarHBondContact O-OG1 2.89Å; K615-E619 PolarHBondContact O-N 3.41Å
616	L	91.9	Very high	93	Very high	97 Å²	97	100.6 Å²	100.6	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.3	-173.5	70.5	0	0	0	111.7	K612 L614 T618 E619 I620	K612-L616 WeakPolarHBondContact O-CB 3.45Å; K612-L616 PolarHBondContact O-N 3.11Å; L614-L616 PolarHBondContact O-N 3.47Å; L616-T618 VanDerWaalsContact C-N 3.32Å; L616-T618 PolarHBondContact O-N 3.47Å; L616-E619 PolarHBondContact O-N 3.44Å; L616-I620 HydrophobicContact CG-CD1 4.04Å; L616-I620 WeakPolarHBondContact O-CG1 3.5Å; L616-I620 PolarHBondContact O-N 3.21Å
617	A	92.3	Very high	93.1	Very high	44 Å²	44	99.7 Å²	99.7	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-38.3	176.7	0	0	0	0	0	112	G613 L614 K615 N621	G613-A617 WeakPolarHBondContact O-CB 3.41Å; G613-A617 PolarHBondContact O-N 3.49Å; L614-A617 PolarHBondContact O-N 2.92Å; K615-A617 VanDerWaalsContact C-N 3.35Å; K615-A617 PolarHBondContact O-N 2.79Å; A617-N621 WeakPolarHBondContact O-CB 3.28Å; A617-N621 VanDerWaalsContact O-CG 3.26Å; A617-N621 PolarHBondContact O-N 3.02Å; A617-N621 VanDerWaalsContact O-N 3.09Å; A617-N621 PolarHBondContact O-ND2 3.29Å
618	T	93.1	Very high	93.2	Very high	72 Å²	72	98 Å²	98	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-39.5	174.2	53	0	0	0	0	112.4	L614 K615 L616 N621 Q622	L614-T618 WeakPolarHBondContact O-CG2 3.11Å; L614-T618 PolarHBondContact O-N 2.82Å; L614-T618 PolarHBondContact O-OG1 3.21Å; K615-T618 WeakPolarHBondContact CA-OG1 3.35Å; K615-T618 PolarHBondContact O-N 2.89Å; K615-T618 PolarHBondContact O-OG1 2.89Å; L616-T618 VanDerWaalsContact C-N 3.32Å; L616-T618 PolarHBondContact O-N 3.47Å; T618-N621 PolarHBondContact O-N 3.16Å; T618-Q622 WeakPolarHBondContact O-CG 3.32Å; T618-Q622 PolarHBondContact O-N 3.23Å
619	E	93.7	Very high	93.3	Very high	106 Å²	106	97.8 Å²	97.8	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-45.4	177.4	-171.6	177.6	-172.3	0	0	111.7	K615 L616 N621 Q622 I623	K615-E619 PolarHBondContact O-N 3.41Å; L616-E619 PolarHBondContact O-N 3.44Å; E619-N621 VanDerWaalsContact C-N 3.29Å; E619-N621 PolarHBondContact O-N 3.45Å; E619-Q622 WeakPolarHBondContact O-CB 3.3Å; E619-Q622 PolarHBondContact O-N 3.41Å; E619-Q622 VanDerWaalsContact O-N 3.16Å; E619-I623 HydrophobicContact CG-CD1 4.21Å; E619-I623 WeakPolarHBondContact O-CG1 3.3Å; E619-I623 PolarHBondContact O-N 3.22Å
620	I	93.9	Very high	93.4	Very high	95 Å²	95	98.6 Å²	98.6	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-42.8	174.9	-70.2	169.1	0	0	0	110.8	L616 I623 K624	L616-I620 HydrophobicContact CG-CD1 4.04Å; L616-I620 WeakPolarHBondContact O-CG1 3.5Å; L616-I620 PolarHBondContact O-N 3.21Å; I620-I623 PolarHBondContact O-N 2.84Å; I620-K624 WeakPolarHBondContact O-CB 3.39Å; I620-K624 PolarHBondContact O-N 3.03Å
621	N	91.8	Very high	93.4	Very high	100 Å²	100	95.4 Å²	95.4	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-39.4	178	-74.3	-33.5	0	0	0	112	A617 T618 E619 K624 T625	A617-N621 WeakPolarHBondContact O-CB 3.28Å; A617-N621 VanDerWaalsContact O-CG 3.26Å; A617-N621 PolarHBondContact O-N 3.02Å; A617-N621 VanDerWaalsContact O-N 3.09Å; A617-N621 PolarHBondContact O-ND2 3.29Å; T618-N621 PolarHBondContact O-N 3.16Å; E619-N621 VanDerWaalsContact C-N 3.29Å; E619-N621 PolarHBondContact O-N 3.45Å; N621-K624 PolarHBondContact O-N 3.48Å; N621-T625 WeakPolarHBondContact O-CG2 3.43Å; N621-T625 PolarHBondContact O-N 3.38Å; N621-T625 PolarHBondContact O-OG1 3Å
622	Q	94.5	Very high	93.4	Very high	121 Å²	121	96.1 Å²	96.1	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-45.5	174.2	-75.8	175.3	-8.3	0	0	112.2	T618 E619 K624 T625 N626	T618-Q622 WeakPolarHBondContact O-CG 3.32Å; T618-Q622 PolarHBondContact O-N 3.23Å; E619-Q622 WeakPolarHBondContact O-CB 3.3Å; E619-Q622 PolarHBondContact O-N 3.41Å; E619-Q622 VanDerWaalsContact O-N 3.16Å; Q622-K624 VanDerWaalsContact C-N 3.32Å; Q622-K624 PolarHBondContact O-N 2.94Å; Q622-T625 WeakPolarHBondContact CA-OG1 3.49Å; Q622-T625 PolarHBondContact O-N 3.46Å; Q622-T625 PolarHBondContact O-OG1 3.13Å; Q622-N626 VanDerWaalsContact O-CG 3.27Å; Q622-N626 PolarHBondContact O-N 3.33Å; Q622-N626 PolarHBondContact O-ND2 3Å
623	I	94.6	Very high	93.4	Very high	92 Å²	92	96.2 Å²	96.2	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-59.9	-45	175.5	-67.7	168.3	0	0	0	110.3	E619 I620 T625 N626 V627	E619-I623 HydrophobicContact CG-CD1 4.21Å; E619-I623 WeakPolarHBondContact O-CG1 3.3Å; E619-I623 PolarHBondContact O-N 3.22Å; I620-I623 PolarHBondContact O-N 2.84Å; I623-T625 VanDerWaalsContact C-N 3.35Å; I623-T625 PolarHBondContact O-N 3.26Å; I623-N626 WeakPolarHBondContact O-CB 3.21Å; I623-N626 PolarHBondContact O-N 3.19Å; I623-N626 VanDerWaalsContact O-N 3.11Å; I623-V627 HydrophobicContact CG2-CG2 4.38Å; I623-V627 WeakPolarHBondContact O-CG2 3.11Å; I623-V627 PolarHBondContact O-N 3.31Å
624	K	93.3	Very high	93.4	Very high	127 Å²	127	99.7 Å²	99.7	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-57.8	-46.9	177.1	-174.5	177.2	178.6	179.7	0	111.6	I620 N621 Q622 N626 V627 D628	I620-K624 WeakPolarHBondContact O-CB 3.39Å; I620-K624 PolarHBondContact O-N 3.03Å; N621-K624 PolarHBondContact O-N 3.48Å; Q622-K624 VanDerWaalsContact C-N 3.32Å; Q622-K624 PolarHBondContact O-N 2.94Å; K624-N626 VanDerWaalsContact C-N 3.28Å; K624-N626 PolarHBondContact O-N 3.42Å; K624-V627 PolarHBondContact O-N 3.3Å; K624-D628 VanDerWaalsContact O-CG 3.29Å; K624-D628 PolarHBondContact O-N 3.2Å
625	T	93.8	Very high	93.3	Very high	73 Å²	73	97.8 Å²	97.8	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-34.4	176.6	50.4	0	0	0	0	112.8	N621 Q622 I623 N629	N621-T625 WeakPolarHBondContact O-CG2 3.43Å; N621-T625 PolarHBondContact O-N 3.38Å; N621-T625 PolarHBondContact O-OG1 3Å; Q622-T625 WeakPolarHBondContact CA-OG1 3.49Å; Q622-T625 PolarHBondContact O-N 3.46Å; Q622-T625 PolarHBondContact O-OG1 3.13Å; I623-T625 VanDerWaalsContact C-N 3.35Å; I623-T625 PolarHBondContact O-N 3.26Å; T625-N629 WeakPolarHBondContact O-CB 3.41Å; T625-N629 PolarHBondContact O-N 3.47Å; T625-N629 PolarHBondContact O-ND2 3.41Å
626	N	94.8	Very high	93.3	Very high	95 Å²	95	97.5 Å²	97.5	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-41.6	175.6	-69.3	-18.7	0	0	0	111.7	Q622 I623 K624 N629 L630	Q622-N626 VanDerWaalsContact O-CG 3.27Å; Q622-N626 PolarHBondContact O-N 3.33Å; Q622-N626 PolarHBondContact O-ND2 3Å; I623-N626 WeakPolarHBondContact O-CB 3.21Å; I623-N626 PolarHBondContact O-N 3.19Å; I623-N626 VanDerWaalsContact O-N 3.11Å; K624-N626 VanDerWaalsContact C-N 3.28Å; K624-N626 PolarHBondContact O-N 3.42Å; N626-N629 PolarHBondContact O-N 3.18Å; N626-L630 WeakPolarHBondContact O-CB 3.14Å; N626-L630 WeakPolarHBondContact O-CG 3.41Å; N626-L630 PolarHBondContact O-N 2.66Å
627	V	93.9	Very high	93.1	Very high	75 Å²	75	95.1 Å²	95.1	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.2	171.8	0	0	0	0	110.7	I623 K624 N629 L630 Q631	I623-V627 HydrophobicContact CG2-CG2 4.38Å; I623-V627 WeakPolarHBondContact O-CG2 3.11Å; I623-V627 PolarHBondContact O-N 3.31Å; K624-V627 PolarHBondContact O-N 3.3Å; V627-N629 VanDerWaalsContact C-N 3.33Å; V627-N629 PolarHBondContact O-N 2.78Å; V627-L630 PolarHBondContact O-N 2.91Å; V627-Q631 WeakPolarHBondContact O-CB 3.39Å; V627-Q631 PolarHBondContact O-N 2.86Å
628	D	93.3	Very high	93	Very high	72 Å²	72	98.3 Å²	98.3	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-42.7	177.7	-67.8	-23.9	0	0	0	111.1	K624 Q631 I632	K624-D628 VanDerWaalsContact O-CG 3.29Å; K624-D628 PolarHBondContact O-N 3.2Å; D628-Q631 PolarHBondContact O-N 3.12Å; D628-I632 WeakPolarHBondContact O-CG1 3.42Å; D628-I632 PolarHBondContact O-N 2.83Å
629	N	94.2	Very high	92.8	Very high	89 Å²	89	98.3 Å²	98.3	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-64.5	-43.3	175.8	-74	-27.8	0	0	0	112.8	T625 N626 V627 Q631 I632 Q633	T625-N629 WeakPolarHBondContact O-CB 3.41Å; T625-N629 PolarHBondContact O-N 3.47Å; T625-N629 PolarHBondContact O-ND2 3.41Å; N626-N629 PolarHBondContact O-N 3.18Å; V627-N629 VanDerWaalsContact C-N 3.33Å; V627-N629 PolarHBondContact O-N 2.78Å; N629-Q631 VanDerWaalsContact C-N 3.3Å; N629-Q631 PolarHBondContact O-N 2.82Å; N629-I632 PolarHBondContact O-N 3.08Å; N629-Q633 WeakPolarHBondContact O-CG 3.47Å; N629-Q633 PolarHBondContact O-N 3.46Å
630	L	94.6	Very high	92.6	Very high	109 Å²	109	97.8 Å²	97.8	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-38	175.9	-75.3	171.3	0	0	0	111.4	N626 V627 Q633 L634	N626-L630 WeakPolarHBondContact O-CB 3.14Å; N626-L630 WeakPolarHBondContact O-CG 3.41Å; N626-L630 PolarHBondContact O-N 2.66Å; V627-L630 PolarHBondContact O-N 2.91Å; L630-Q633 PolarHBondContact O-N 3.26Å; L630-L634 WeakPolarHBondContact O-CB 3.39Å; L630-L634 PolarHBondContact O-N 3.27Å
631	Q	92.3	Very high	92.3	Very high	112 Å²	112	99 Å²	99	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-39	176.5	-171.6	163	-10.7	0	0	111.8	V627 D628 N629 N635	V627-Q631 WeakPolarHBondContact O-CB 3.39Å; V627-Q631 PolarHBondContact O-N 2.86Å; D628-Q631 PolarHBondContact O-N 3.12Å; N629-Q631 VanDerWaalsContact C-N 3.3Å; N629-Q631 PolarHBondContact O-N 2.82Å; Q631-N635 WeakPolarHBondContact O-CB 3.45Å; Q631-N635 VanDerWaalsContact O-CG 3.23Å; Q631-N635 PolarHBondContact O-N 3.2Å; Q631-N635 PolarHBondContact O-ND2 2.93Å
632	I	93.1	Very high	92	Very high	112 Å²	112	100 Å²	100	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-45.5	172.5	-67.7	164.9	0	0	0	110.9	D628 N629 N635 K636	D628-I632 WeakPolarHBondContact O-CG1 3.42Å; D628-I632 PolarHBondContact O-N 2.83Å; N629-I632 PolarHBondContact O-N 3.08Å; I632-N635 PolarHBondContact O-N 2.88Å; I632-K636 PolarHBondContact O-N 3.15Å
633	Q	93.1	Very high	91.4	Very high	126 Å²	126	98.5 Å²	98.5	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-64	-42.7	178.1	-72.4	179.6	-3.5	0	0	112.5	N629 L630 N635 K636 S637	N629-Q633 WeakPolarHBondContact O-CG 3.47Å; N629-Q633 PolarHBondContact O-N 3.46Å; L630-Q633 PolarHBondContact O-N 3.26Å; Q633-N635 VanDerWaalsContact C-N 3.35Å; Q633-K636 PolarHBondContact O-N 3.18Å; Q633-S637 PolarHBondContact O-N 3.32Å
634	L	92.3	Very high	91	Very high	112 Å²	112	100.8 Å²	100.8	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-61.9	-44.6	177.6	-168.5	104	0	0	0	111	L630 S637 K638	L630-L634 WeakPolarHBondContact O-CB 3.39Å; L630-L634 PolarHBondContact O-N 3.27Å; L634-S637 PolarHBondContact O-N 2.67Å; L634-K638 WeakPolarHBondContact O-CB 3.24Å; L634-K638 PolarHBondContact O-N 3.42Å
635	N	91.9	Very high	89.8	Confident	82 Å²	82	98.2 Å²	98.2	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.4	-73.8	-20	0	0	0	111.6	Q631 I632 Q633 K638 S639	Q631-N635 WeakPolarHBondContact O-CB 3.45Å; Q631-N635 VanDerWaalsContact O-CG 3.23Å; Q631-N635 PolarHBondContact O-N 3.2Å; Q631-N635 PolarHBondContact O-ND2 2.93Å; I632-N635 PolarHBondContact O-N 2.88Å; Q633-N635 VanDerWaalsContact C-N 3.35Å; N635-K638 WeakPolarHBondContact O-CB 3.17Å; N635-K638 PolarHBondContact O-N 2.94Å; N635-S639 PolarHBondContact O-N 2.92Å; N635-S639 PolarHBondContact O-OG 3.27Å
636	K	92.2	Very high	87.9	Confident	136 Å²	136	102.3 Å²	102.3	59%	0.591	55%	0.545	S	S	*	.	H	α-helix	trans	-60.7	-47.7	174.9	-170.1	-175.3	179.9	-164.6	0	111.7	I632 Q633 K638 S639 E640	I632-K636 PolarHBondContact O-N 3.15Å; Q633-K636 PolarHBondContact O-N 3.18Å; K636-K638 VanDerWaalsContact C-N 3.27Å; K636-K638 PolarHBondContact O-N 3.01Å; K636-S639 PolarHBondContact O-N 3.47Å; K636-E640 WeakPolarHBondContact CE-OE1 3.27Å; K636-E640 IonicContact NZ-OE1 2.91Å; K636-E640 WeakPolarHBondContact O-CG 3.33Å; K636-E640 PolarHBondContact O-N 3.31Å
637	S	89.2	Confident	87.5	Confident	48 Å²	48	102.7 Å²	102.7	34%	0.336	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-33	176.4	176.5	0	0	0	0	112.6	Q633 L634 R641	Q633-S637 PolarHBondContact O-N 3.32Å; L634-S637 PolarHBondContact O-N 2.67Å; S637-R641 WeakPolarHBondContact O-CG 3.36Å; S637-R641 PolarHBondContact O-N 3.46Å; S637-R641 VanDerWaalsContact O-N 3.07Å; S637-R641 PolarHBondContact O-NE 3.46Å
638	K	89.7	Confident	87.2	Confident	110 Å²	110	104.1 Å²	104.1	48%	0.478	55%	0.551	S	S	.	*	H	α-helix	trans	-67.3	-46.4	174	-168.4	-178.3	176.5	-171.1	0	111.2	L634 N635 K636 E640 R641 E642	L634-K638 WeakPolarHBondContact O-CB 3.24Å; L634-K638 PolarHBondContact O-N 3.42Å; N635-K638 WeakPolarHBondContact O-CB 3.17Å; N635-K638 PolarHBondContact O-N 2.94Å; K636-K638 VanDerWaalsContact C-N 3.27Å; K636-K638 PolarHBondContact O-N 3.01Å; K638-E640 PolarHBondContact O-N 3.15Å; K638-R641 PolarHBondContact O-N 3.17Å; K638-E642 VanDerWaalsContact CE-OE1 3.3Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 WeakPolarHBondContact O-CG 3.41Å; K638-E642 PolarHBondContact O-N 3.38Å
639	S	88.4	Confident	86.8	Confident	73 Å²	73	105.9 Å²	105.9	51%	0.51	56%	0.561	S	S	.	*	H	α-helix	trans	-64.6	-36.3	175.8	-61.8	0	0	0	0	113.1	N635 K636 A643	N635-S639 PolarHBondContact O-N 2.92Å; N635-S639 PolarHBondContact O-OG 3.27Å; K636-S639 PolarHBondContact O-N 3.47Å; S639-A643 WeakPolarHBondContact O-CB 3.22Å; S639-A643 PolarHBondContact O-N 3.25Å
640	E	90.5	Very high	86.4	Confident	94 Å²	94	106.9 Å²	106.9	44%	0.439	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-39.4	174.1	-74.8	170.5	-176.7	0	0	111.9	K636 K638 A643 Q644	K636-E640 WeakPolarHBondContact CE-OE1 3.27Å; K636-E640 IonicContact NZ-OE1 2.91Å; K636-E640 WeakPolarHBondContact O-CG 3.33Å; K636-E640 PolarHBondContact O-N 3.31Å; K638-E640 PolarHBondContact O-N 3.15Å; E640-A643 PolarHBondContact O-N 2.94Å; E640-Q644 WeakPolarHBondContact O-CG 3.4Å; E640-Q644 PolarHBondContact O-N 2.9Å
641	R	86.5	Confident	85.9	Confident	121 Å²	121	106.8 Å²	106.8	46%	0.457	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-45.3	174.1	-79.1	-174.3	-79	170.3	-6.5	112.4	S637 K638 A643 Q644 G645 I646	S637-R641 WeakPolarHBondContact O-CG 3.36Å; S637-R641 PolarHBondContact O-N 3.46Å; S637-R641 VanDerWaalsContact O-N 3.07Å; S637-R641 PolarHBondContact O-NE 3.46Å; K638-R641 PolarHBondContact O-N 3.17Å; R641-A643 VanDerWaalsContact C-N 3.25Å; R641-A643 PolarHBondContact O-N 3.38Å; R641-Q644 CarbonylContact O-C 3.55Å; R641-Q644 WeakPolarHBondContact O-CA 3.5Å; R641-Q644 PolarHBondContact O-N 3.45Å; R641-G645 PolarHBondContact O-N 2.88Å; R641-G645 VanDerWaalsContact O-N 3.08Å; R641-I646 PolarHBondContact O-N 3.35Å
642	E	85.4	Confident	85.5	Confident	120 Å²	120	106.4 Å²	106.4	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-58.1	-38.3	173.8	-74.2	171.2	-175	0	0	111.4	K638 G645	K638-E642 VanDerWaalsContact CE-OE1 3.3Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 WeakPolarHBondContact O-CG 3.41Å; K638-E642 PolarHBondContact O-N 3.38Å; E642-G645 PolarHBondContact O-N 2.78Å
643	A	82.3	Confident	84.9	Confident	90 Å²	90	106 Å²	106	74%	0.744	57%	0.568	S	S	*	*	H	α-helix	trans	-71	-28.2	175	0	0	0	0	0	113.9	S639 E640 R641 G645	S639-A643 WeakPolarHBondContact O-CB 3.22Å; S639-A643 PolarHBondContact O-N 3.25Å; E640-A643 PolarHBondContact O-N 2.94Å; R641-A643 VanDerWaalsContact C-N 3.25Å; R641-A643 PolarHBondContact O-N 3.38Å; A643-G645 VanDerWaalsContact C-N 3.29Å
644	Q	85.8	Confident	84.3	Confident	141 Å²	141	104.5 Å²	104.5	66%	0.659	57%	0.566	S	S	*	*	H	α-helix	trans	-81.3	-6.8	173.6	-71.9	174.7	4.5	0	0	113.1	E640 R641	E640-Q644 WeakPolarHBondContact O-CG 3.4Å; E640-Q644 PolarHBondContact O-N 2.9Å; R641-Q644 CarbonylContact O-C 3.55Å; R641-Q644 WeakPolarHBondContact O-CA 3.5Å; R641-Q644 PolarHBondContact O-N 3.45Å
645	G	68.8	Low	83.6	Confident	72 Å²	72	103.8 Å²	103.8	74%	0.742	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	22.5	-179.5	0	0	0	0	0	114.5	R641 E642 A643	R641-G645 PolarHBondContact O-N 2.88Å; R641-G645 VanDerWaalsContact O-N 3.08Å; E642-G645 PolarHBondContact O-N 2.78Å; A643-G645 VanDerWaalsContact C-N 3.29Å
646	I	53.2	Low	82.9	Confident	159 Å²	159	105.8 Å²	105.8	82%	0.815	58%	0.576	S	S	*	*			trans	-101	0	170.6	-53.3	173.1	0	0	0	108.3	R641	R641-I646 PolarHBondContact O-N 3.35Å

Retrieved 646 of 646 residues in 561 ms (Link to these results)

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