A0A087XJI0_POEFO Loading...

Stress-activated protein kinase JNK

Responds to activation by environmental stress and pro-inflammatory cytokines by phosphorylating a number of transcription factors, and thus regulates transcriptional activity. Responds to activation by environmental stress and pro-inflammatory cytokines by phosphorylating a number of transcription factors, primarily components of AP-1 such as c-Jun and ATF2 and thus regulates AP-1 transcriptional activity. May play a role in the regulation of the circadian clock.

AlphaFold DB , UniProt , Accession A0A087XJI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	56.4	Low	248 Å²	248	127.9 Å²	127.9	100%	1.222	66%	0.656	S	S	*	*				0	117.4	0	-82.3	171.4	165.9	0	0	109.5
2	S	33.6	Very low	59.7	Low	84 Å²	84	123.4 Å²	123.4	59%	0.587	65%	0.645	S	S	*	*			trans	52.8	89.9	157.1	179.6	0	0	0	0	120.4
3	K	34.5	Very low	62.4	Low	223 Å²	223	117.4 Å²	117.4	97%	0.97	62%	0.616	S	S	*	*			trans	-105.4	28.1	151.3	-91.5	-170.5	177.8	-178.5	0	112.3
4	S	38	Very low	64.7	Low	104 Å²	104	117.9 Å²	117.9	73%	0.727	61%	0.614	S	S	*	*			trans	-123	44.1	-171.7	67.2	0	0	0	0	113.8
5	K	35.1	Very low	66.4	Low	177 Å²	177	110.7 Å²	110.7	77%	0.77	58%	0.577	S	S	*	*			trans	-137.8	53.1	173.9	-75.9	-169.9	174.9	-175.5	0	111.9
6	V	43.5	Very low	67.5	Low	123 Å²	123	108.1 Å²	108.1	75%	0.745	59%	0.586	S	S	*	*			trans	-105.7	97.7	154.8	-176.8	0	0	0	0	105	N8	V6-N8 PolarHBondContact O-N 3.3Å
7	D	50	Low	68.5	Low	131 Å²	131	112.4 Å²	112.4	70%	0.701	61%	0.608	S	S	*	*			trans	-45.7	135.8	178	-70.8	-50.4	0	0	0	110.9	Q9	D7-Q9 PolarHBondContact O-N 3.24Å
8	N	74.4	Confident	69.6	Low	116 Å²	116	107.7 Å²	107.7	62%	0.62	59%	0.585	S	S	*	*			trans	-56.3	101.5	177	-157.6	11.6	0	0	0	108.4	V6 F10 K24	V6-N8 PolarHBondContact O-N 3.3Å; N8-F10 PolarHBondContact O-N 3.12Å; N8-K24 WeakPolarHBondContact O-CE 3.29Å; N8-K24 PolarHBondContact O-NZ 3.29Å
9	Q	89.3	Confident	70.9	Confident	103 Å²	103	104.7 Å²	104.7	48%	0.481	57%	0.57	S	S	.	*			trans	-69.3	-15.5	-174	-71.5	-175.4	-12.4	0	0	112.4	D7 L23 K24	D7-Q9 PolarHBondContact O-N 3.24Å; Q9-L23 HydrophobicContact CB-CD2 4.33Å; Q9-K24 PolarHBondContact O-N 3.32Å
10	F	94.6	Very high	72.2	Confident	28 Å²	28	99.5 Å²	99.5	12%	0.123	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.3	-179.2	-62.7	-91.9	0	0	0	111.4	N8 T21 V22 L23 F92 T93 P94	N8-F10 PolarHBondContact O-N 3.12Å; F10-T21 HydrophobicContact CB-CG2 3.88Å; F10-T21 HydrophobicContact CG-CG2 4.47Å; F10-V22 CarbonylContact C-O 3.59Å; F10-V22 WeakPolarHBondContact CA-O 3.44Å; F10-V22 VanDerWaalsContact CD1-C 3.46Å; F10-L23 HydrophobicContact CD1-CD2 4.13Å; F10-L23 HydrophobicContact CD1-CG 4.32Å; F10-L23 HydrophobicContact CE1-CD2 3.57Å; F10-L23 HydrophobicContact CE1-CG 3.75Å; F10-L23 HydrophobicContact CE2-CD2 4.03Å; F10-L23 HydrophobicContact CZ-CD2 3.52Å; F10-L23 HydrophobicContact CZ-CG 4.15Å; F10-F92 HydrophobicContact CD1-CE2 4.49Å; F10-F92 AromaticContact CE1-CD2 3.61Å; F10-F92 HydrophobicContact CE1-CD2 3.61Å; F10-F92 AromaticContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CG 4.49Å; F10-F92 HydrophobicContact CZ-CD2 4.4Å; F10-T93 WeakPolarHBondContact CZ-O 3.47Å; F10-P94 HydrophobicContact CD1-CB 3.84Å; F10-P94 HydrophobicContact CE1-CB 4.04Å; F10-P94 HydrophobicContact CG-CB 4.13Å; F10-P94 HydrophobicContact CZ-CB 4.48Å
11	Y	95.7	Very high	73.3	Confident	70 Å²	70	96.2 Å²	96.2	28%	0.275	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.8	164.6	77.7	-78.5	0	0	0	109.2	V13 T21 V22 K24 Y26 L29	Y11-V13 HydrophobicContact CE2-CB 4.25Å; Y11-V13 HydrophobicContact CE2-CG1 4.42Å; Y11-T21 CarbonylContact O-C 3.56Å; Y11-T21 WeakPolarHBondContact O-CA 3.35Å; Y11-V22 HydrophobicContact CD1-CG2 4.18Å; Y11-V22 HydrophobicContact CE1-CG2 3.55Å; Y11-V22 PolarHBondContact N-O 2.82Å; Y11-V22 PolarHBondContact O-N 3.09Å; Y11-K24 HydrophobicContact CD1-CG 4.12Å; Y11-Y26 VanDerWaalsContact CE1-O 3.24Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.37Å; Y11-Y26 PolarHBondContact OH-O 3.06Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.45Å
12	S	95.7	Very high	76.4	Confident	74 Å²	74	84.4 Å²	84.4	52%	0.517	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.2	-178.7	-59.7	0	0	0	0	111.1	F20 T21	S12-F20 CarbonylContact C-O 3.49Å; S12-F20 VanDerWaalsContact CA-O 3.26Å; S12-F20 WeakPolarHBondContact CA-O 3.32Å; S12-T21 PolarHBondContact OG-OG1 3.47Å
13	V	95.4	Very high	79.4	Confident	45 Å²	45	81.8 Å²	81.8	27%	0.273	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.4	173.8	62.2	0	0	0	0	109.3	Y11 V15 F20 L29	Y11-V13 HydrophobicContact CE2-CB 4.25Å; Y11-V13 HydrophobicContact CE2-CG1 4.42Å; V13-V15 HydrophobicContact CG1-CG2 4.21Å; V13-F20 HydrophobicContact CG1-CB 3.85Å; V13-F20 PolarHBondContact N-O 3.35Å; V13-F20 PolarHBondContact O-N 3.36Å; V13-L29 HydrophobicContact CG1-CB 4.26Å; V13-L29 HydrophobicContact CG1-CD2 3.92Å
14	E	95	Very high	82.3	Confident	124 Å²	124	76.4 Å²	76.4	58%	0.579	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.4	175.4	-66.5	-55.2	142.3	0	0	110.5	T19	E14-T19 WeakPolarHBondContact OE1-CB 3.1Å; E14-T19 WeakPolarHBondContact OE1-CG2 3.36Å; E14-T19 PolarHBondContact OE1-OG1 3.45Å; E14-T19 PolarHBondContact OE2-OG1 2.49Å
15	V	89.9	Confident	85	Confident	11 Å²	11	74.2 Å²	74.2	7%	0.067	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	92.7	179.8	-177.5	0	0	0	0	108.3	V13 D17 S18 F20 P31 I39	V13-V15 HydrophobicContact CG1-CG2 4.21Å; V15-D17 PolarHBondContact O-N 3.33Å; V15-S18 PolarHBondContact N-O 2.88Å; V15-S18 PolarHBondContact O-N 3.23Å; V15-F20 HydrophobicContact CB-CD2 3.74Å; V15-F20 HydrophobicContact CB-CE2 4Å; V15-F20 HydrophobicContact CG1-CD2 4.45Å; V15-F20 HydrophobicContact CG1-CE2 4.26Å; V15-F20 HydrophobicContact CG2-CB 4.14Å; V15-F20 HydrophobicContact CG2-CD2 3.64Å; V15-F20 HydrophobicContact CG2-CE2 4.24Å; V15-F20 HydrophobicContact CG2-CG 3.95Å; V15-P31 HydrophobicContact CG1-CB 3.65Å; V15-P31 HydrophobicContact CG1-CG 4.02Å; V15-I39 HydrophobicContact CG1-CG2 4.29Å
16	G	83.7	Confident	88	Confident	69 Å²	69	65.9 Å²	65.9	71%	0.711	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-125.2	-170.3	0	0	0	0	0	110.3	S18	G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 3.11Å
17	D	84.4	Confident	90.5	Very high	181 Å²	181	63.9 Å²	63.9	97%	0.968	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	16.6	179.1	-56	-37.8	0	0	0	113.3	V15	V15-D17 PolarHBondContact O-N 3.33Å
18	S	89.1	Confident	92.7	Very high	27 Å²	27	63.2 Å²	63.2	19%	0.189	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.2	-177.8	-158.7	0	0	0	0	113.2	V15 G16	V15-S18 PolarHBondContact N-O 2.88Å; V15-S18 PolarHBondContact O-N 3.23Å; G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 3.11Å
19	T	94.1	Very high	93.7	Very high	51 Å²	51	58.9 Å²	58.9	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.5	172.9	-46	0	0	0	0	111.2	E14 K56	E14-T19 WeakPolarHBondContact OE1-CB 3.1Å; E14-T19 WeakPolarHBondContact OE1-CG2 3.36Å; E14-T19 PolarHBondContact OE1-OG1 3.45Å; E14-T19 PolarHBondContact OE2-OG1 2.49Å; T19-K56 PolarHBondContact O-NZ 3.13Å
20	F	96.2	Very high	94	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.6	168.9	-88.4	-117.9	0	0	0	109.4	S12 V13 V15 V22 L29 I39 C41 K56 Y105	S12-F20 CarbonylContact C-O 3.49Å; S12-F20 VanDerWaalsContact CA-O 3.26Å; S12-F20 WeakPolarHBondContact CA-O 3.32Å; V13-F20 HydrophobicContact CG1-CB 3.85Å; V13-F20 PolarHBondContact N-O 3.35Å; V13-F20 PolarHBondContact O-N 3.36Å; V15-F20 HydrophobicContact CB-CD2 3.74Å; V15-F20 HydrophobicContact CB-CE2 4Å; V15-F20 HydrophobicContact CG1-CD2 4.45Å; V15-F20 HydrophobicContact CG1-CE2 4.26Å; V15-F20 HydrophobicContact CG2-CB 4.14Å; V15-F20 HydrophobicContact CG2-CD2 3.64Å; V15-F20 HydrophobicContact CG2-CE2 4.24Å; V15-F20 HydrophobicContact CG2-CG 3.95Å; F20-V22 HydrophobicContact CB-CG1 4.21Å; F20-V22 HydrophobicContact CD1-CG1 4.16Å; F20-L29 HydrophobicContact CB-CD2 4.03Å; F20-L29 HydrophobicContact CD1-CD2 3.76Å; F20-L29 HydrophobicContact CG-CD2 4.19Å; F20-I39 HydrophobicContact CE2-CB 3.83Å; F20-I39 HydrophobicContact CE2-CD1 4.45Å; F20-I39 HydrophobicContact CE2-CG2 3.66Å; F20-I39 HydrophobicContact CZ-CB 3.76Å; F20-I39 HydrophobicContact CZ-CG2 3.67Å; F20-C41 HydrophobicContact CE1-CB 4.22Å; F20-K56 HydrophobicContact CD2-CD 4.39Å; F20-K56 HydrophobicContact CE1-CB 3.83Å; F20-K56 HydrophobicContact CE2-CB 4.21Å; F20-K56 HydrophobicContact CE2-CD 4.27Å; F20-K56 HydrophobicContact CZ-CB 3.65Å; F20-Y105 HydrophobicContact CB-CE1 4.48Å; F20-Y105 HydrophobicContact CD1-CD1 4.27Å; F20-Y105 AromaticContact CD1-CE1 3.73Å; F20-Y105 HydrophobicContact CD1-CE1 3.73Å; F20-Y105 HydrophobicContact CE1-CD1 4.47Å; F20-Y105 HydrophobicContact CE1-CE1 4.18Å; F20-Y105 HydrophobicContact CG-CE1 4.18Å
21	T	96.1	Very high	93.9	Very high	32 Å²	32	63.6 Å²	63.6	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	99.8	174.2	-57.8	0	0	0	0	108.6	F10 Y11 S12 P94 Y105	F10-T21 HydrophobicContact CB-CG2 3.88Å; F10-T21 HydrophobicContact CG-CG2 4.47Å; Y11-T21 CarbonylContact O-C 3.56Å; Y11-T21 WeakPolarHBondContact O-CA 3.35Å; S12-T21 PolarHBondContact OG-OG1 3.47Å; T21-P94 HydrophobicContact CG2-CB 3.54Å; T21-P94 HydrophobicContact CG2-CG 4.14Å; T21-Y105 PolarHBondContact N-OH 3.07Å
22	V	96.2	Very high	93.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.9	-167.1	-58.7	0	0	0	0	112.1	F10 Y11 F20 L29 F92 Y105	F10-V22 CarbonylContact C-O 3.59Å; F10-V22 WeakPolarHBondContact CA-O 3.44Å; F10-V22 VanDerWaalsContact CD1-C 3.46Å; Y11-V22 HydrophobicContact CD1-CG2 4.18Å; Y11-V22 HydrophobicContact CE1-CG2 3.55Å; Y11-V22 PolarHBondContact N-O 2.82Å; Y11-V22 PolarHBondContact O-N 3.09Å; F20-V22 HydrophobicContact CB-CG1 4.21Å; F20-V22 HydrophobicContact CD1-CG1 4.16Å; V22-L29 HydrophobicContact CG1-CD2 4.05Å; V22-L29 HydrophobicContact CG2-CD1 4.1Å; V22-L29 HydrophobicContact CG2-CD2 4.07Å; V22-F92 HydrophobicContact CB-CE2 4.3Å; V22-F92 HydrophobicContact CB-CZ 3.92Å; V22-F92 HydrophobicContact CG1-CE2 4.35Å; V22-F92 HydrophobicContact CG1-CZ 3.94Å; V22-Y105 HydrophobicContact CG1-CD1 4.03Å; V22-Y105 HydrophobicContact CG1-CE1 3.91Å
23	L	95.6	Very high	92.7	Very high	29 Å²	29	62.8 Å²	62.8	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	139.7	174.5	-69.1	169.8	0	0	0	110.7	Q9 F10 R25 Y26 F92	Q9-L23 HydrophobicContact CB-CD2 4.33Å; F10-L23 HydrophobicContact CD1-CD2 4.13Å; F10-L23 HydrophobicContact CD1-CG 4.32Å; F10-L23 HydrophobicContact CE1-CD2 3.57Å; F10-L23 HydrophobicContact CE1-CG 3.75Å; F10-L23 HydrophobicContact CE2-CD2 4.03Å; F10-L23 HydrophobicContact CZ-CD2 3.52Å; F10-L23 HydrophobicContact CZ-CG 4.15Å; L23-R25 HydrophobicContact CB-CG 3.93Å; L23-R25 PolarHBondContact O-N 3.01Å; L23-Y26 HydrophobicContact CB-CD2 3.92Å; L23-Y26 HydrophobicContact CB-CE2 4Å; L23-Y26 HydrophobicContact CD1-CE2 4.04Å; L23-Y26 HydrophobicContact CG-CE2 4.46Å; L23-Y26 PolarHBondContact O-N 3.32Å; L23-F92 HydrophobicContact CD1-CB 4.43Å; L23-F92 HydrophobicContact CD1-CD1 4.11Å; L23-F92 HydrophobicContact CD1-CG 4.2Å; L23-F92 HydrophobicContact CG-CD2 4.47Å; L23-F92 HydrophobicContact CG-CG 4.37Å
24	K	95.4	Very high	91.8	Very high	110 Å²	110	65.7 Å²	65.7	48%	0.478	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.5	178.6	-76.7	175.8	171.2	167.3	0	115.5	N8 Q9 Y11 Y26	N8-K24 WeakPolarHBondContact O-CE 3.29Å; N8-K24 PolarHBondContact O-NZ 3.29Å; Q9-K24 PolarHBondContact O-N 3.32Å; Y11-K24 HydrophobicContact CD1-CG 4.12Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.25Å
25	R	95.3	Very high	90.6	Very high	58 Å²	58	61.9 Å²	61.9	22%	0.219	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.5	173.8	69.9	-176.7	-70.8	173.5	-8.4	112.9	L23 D45 A46 V47	L23-R25 HydrophobicContact CB-CG 3.93Å; L23-R25 PolarHBondContact O-N 3.01Å; R25-D45 IonicContact CZ-OD1 4Å; R25-D45 IonicContact CZ-OD2 2.96Å; R25-D45 IonicContact NE-OD1 2.93Å; R25-D45 PolarHBondContact NE-OD1 3.48Å; R25-D45 IonicContact NE-OD2 3.81Å; R25-D45 PolarHBondContact NE-OD2 2.84Å; R25-D45 VanDerWaalsContact NH2-CG 3.29Å; R25-D45 IonicContact NH2-OD1 3.25Å; R25-D45 PolarHBondContact NH2-OD1 3.04Å; R25-D45 IonicContact NH2-OD2 3.66Å; R25-D45 PolarHBondContact NH2-OD2 2.74Å; R25-A46 PolarHBondContact O-N 3.03Å; R25-V47 HydrophobicContact CB-CG2 3.91Å
26	Y	97.3	Very high	89.5	Confident	1 Å²	1	66.2 Å²	66.2	0%	0.004	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.8	179.2	-56.6	-55.3	0	0	0	108.7	Y11 L23 K24 Y44 D45 V52 I54 N90 F92 V107	Y11-Y26 VanDerWaalsContact CE1-O 3.24Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.37Å; Y11-Y26 PolarHBondContact OH-O 3.06Å; L23-Y26 HydrophobicContact CB-CD2 3.92Å; L23-Y26 HydrophobicContact CB-CE2 4Å; L23-Y26 HydrophobicContact CD1-CE2 4.04Å; L23-Y26 HydrophobicContact CG-CE2 4.46Å; L23-Y26 PolarHBondContact O-N 3.32Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.25Å; Y26-Y44 CarbonylContact C-O 3.56Å; Y26-Y44 WeakPolarHBondContact CA-O 3.08Å; Y26-D45 HydrophobicContact CD1-CB 4.02Å; Y26-D45 HydrophobicContact CE1-CB 4Å; Y26-V52 HydrophobicContact CD1-CG2 3.94Å; Y26-V52 HydrophobicContact CE1-CG2 4.2Å; Y26-I54 HydrophobicContact CD1-CD1 4Å; Y26-I54 HydrophobicContact CD2-CD1 4.05Å; Y26-I54 HydrophobicContact CG-CD1 3.6Å; Y26-N90 VanDerWaalsContact OH-CB 3.25Å; Y26-N90 WeakPolarHBondContact OH-CB 3.43Å; Y26-N90 PolarHBondContact OH-ND2 3.01Å; Y26-F92 AromaticContact CD2-CE1 3.97Å; Y26-F92 HydrophobicContact CD2-CE1 3.97Å; Y26-F92 HydrophobicContact CD2-CZ 4.26Å; Y26-F92 HydrophobicContact CE2-CD1 4.07Å; Y26-F92 AromaticContact CE2-CE1 3.45Å; Y26-F92 HydrophobicContact CE2-CE1 3.45Å; Y26-F92 VanDerWaalsContact CE2-CE1 3.45Å; Y26-F92 HydrophobicContact CE2-CZ 4.16Å; Y26-V107 HydrophobicContact CE1-CG1 3.86Å; Y26-V107 HydrophobicContact CE1-CG2 4.37Å; Y26-V107 HydrophobicContact CE2-CG2 3.93Å
27	Q	96.7	Very high	88.8	Confident	81 Å²	81	65.1 Å²	65.1	38%	0.379	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	165.8	-172.5	-61.7	173.4	4.9	0	0	110.2	L29 G43 Y44	Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 2.88Å; Q27-G43 WeakPolarHBondContact O-CA 3.09Å; Q27-Y44 PolarHBondContact N-O 2.98Å; Q27-Y44 PolarHBondContact O-N 2.96Å
28	N	95.9	Very high	88.6	Confident	118 Å²	118	56.7 Å²	56.7	63%	0.631	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.4	44.1	172.1	-54.3	-30.3	0	0	0	113.9	K30	N28-K30 PolarHBondContact O-N 3.33Å
29	L	96.4	Very high	88.6	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.9	-179.2	-88.8	71.4	0	0	0	111.1	Y11 V13 F20 V22 Q27 C41 A42 I54	Y11-L29 WeakPolarHBondContact OH-CD1 3.45Å; V13-L29 HydrophobicContact CG1-CB 4.26Å; V13-L29 HydrophobicContact CG1-CD2 3.92Å; F20-L29 HydrophobicContact CB-CD2 4.03Å; F20-L29 HydrophobicContact CD1-CD2 3.76Å; F20-L29 HydrophobicContact CG-CD2 4.19Å; V22-L29 HydrophobicContact CG1-CD2 4.05Å; V22-L29 HydrophobicContact CG2-CD1 4.1Å; V22-L29 HydrophobicContact CG2-CD2 4.07Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 2.88Å; L29-C41 HydrophobicContact CB-CB 4.32Å; L29-C41 HydrophobicContact CD2-CB 4.22Å; L29-C41 HydrophobicContact CG-CB 4.14Å; L29-A42 CarbonylContact C-O 3.57Å; L29-A42 VanDerWaalsContact CA-O 3.27Å; L29-A42 WeakPolarHBondContact CA-O 3.43Å; L29-I54 HydrophobicContact CD1-CD1 4.42Å
30	K	94.6	Very high	88.4	Confident	142 Å²	142	55.9 Å²	55.9	62%	0.617	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.6	174.9	-67.4	-179.6	-177.8	179.6	0	109.6	N28 I32 C41 A42	N28-K30 PolarHBondContact O-N 3.33Å; K30-I32 PolarHBondContact O-N 3.45Å; K30-C41 CarbonylContact O-C 3.59Å; K30-C41 WeakPolarHBondContact O-CA 3.39Å; K30-C41 WeakPolarHBondContact O-CB 3.24Å; K30-A42 PolarHBondContact N-O 3.27Å; K30-A42 PolarHBondContact O-N 2.85Å
31	P	92.1	Very high	88.4	Confident	89 Å²	89	55.9 Å²	55.9	58%	0.578	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.7	176.2	24	-30.6	0	0	0	110.5	V15	V15-P31 HydrophobicContact CG1-CB 3.65Å; V15-P31 HydrophobicContact CG1-CG 4.02Å
32	I	87.5	Confident	88.4	Confident	94 Å²	94	55.2 Å²	55.2	48%	0.482	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-15.1	176.8	60.7	173.2	0	0	0	112.9	K30 V40 A42 L110	K30-I32 PolarHBondContact O-N 3.45Å; I32-V40 HydrophobicContact CD1-CG1 3.9Å; I32-V40 HydrophobicContact CG1-CB 4.15Å; I32-V40 HydrophobicContact CG1-CG1 3.86Å; I32-V40 WeakPolarHBondContact CG1-O 3.41Å; I32-V40 PolarHBondContact N-O 2.7Å; I32-A42 HydrophobicContact CD1-CB 4.23Å; I32-A42 HydrophobicContact CG2-CB 3.67Å; I32-L110 HydrophobicContact CD1-CD1 3.62Å
33	G	80.3	Confident	88.4	Confident	33 Å²	33	55.3 Å²	55.3	34%	0.34	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	149.1	176.8	0	0	0	0	0	112.5	V40	G33-V40 PolarHBondContact N-O 3.36Å; G33-V40 PolarHBondContact O-N 2.84Å
34	S	75.9	Confident	88.5	Confident	105 Å²	105	57.4 Å²	57.4	73%	0.734	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.4	172.1	-178.5	0	0	0	0	108.6
35	G	69.3	Low	88.6	Confident	44 Å²	44	52.2 Å²	52.2	45%	0.454	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	178.9	179.3	0	0	0	0	0	112.4	Q37 G38	G35-Q37 PolarHBondContact O-N 2.87Å; G35-G38 PolarHBondContact N-O 3.23Å; G35-G38 PolarHBondContact O-N 2.91Å; G35-G38 VanDerWaalsContact O-N 3.13Å; G35-G38 VanDerWaalsContact O-O 3.13Å
36	A	66.9	Low	88.7	Confident	103 Å²	103	51.7 Å²	51.7	85%	0.851	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.6	-177	0	0	0	0	0	114.1
37	Q	69.5	Low	88.5	Confident	46 Å²	46	56.5 Å²	56.5	22%	0.215	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-14.1	-174.5	-59.5	168.2	29.2	0	0	113.6	G35 S58 D169	G35-Q37 PolarHBondContact O-N 2.87Å; Q37-S58 PolarHBondContact O-N 2.87Å; Q37-D169 PolarHBondContact NE2-OD2 2.92Å; Q37-D169 PolarHBondContact OE1-OD1 3.28Å; Q37-D169 PolarHBondContact OE1-OD2 3.5Å
38	G	80.8	Confident	88.3	Confident	4 Å²	4	56.7 Å²	56.7	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.8	170.8	-167.6	0	0	0	0	0	114.2	G35 K56 S58	G35-G38 PolarHBondContact N-O 3.23Å; G35-G38 PolarHBondContact O-N 2.91Å; G35-G38 VanDerWaalsContact O-N 3.13Å; G35-G38 VanDerWaalsContact O-O 3.13Å; G38-K56 CarbonylContact C-O 3.53Å; G38-K56 WeakPolarHBondContact CA-O 3.39Å; G38-S58 VanDerWaalsContact CA-OG 3.26Å; G38-S58 WeakPolarHBondContact CA-OG 3.49Å; G38-S58 PolarHBondContact N-OG 2.89Å
39	I	88	Confident	88.2	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.2	170	-59	168.1	0	0	0	107.3	V15 F20 K55 K56	V15-I39 HydrophobicContact CG1-CG2 4.29Å; F20-I39 HydrophobicContact CE2-CB 3.83Å; F20-I39 HydrophobicContact CE2-CD1 4.45Å; F20-I39 HydrophobicContact CE2-CG2 3.66Å; F20-I39 HydrophobicContact CZ-CB 3.76Å; F20-I39 HydrophobicContact CZ-CG2 3.67Å; I39-K55 CarbonylContact O-C 3.42Å; I39-K55 WeakPolarHBondContact O-CA 3.37Å; I39-K56 PolarHBondContact N-O 2.93Å; I39-K56 VanDerWaalsContact N-O 3.15Å; I39-K56 PolarHBondContact O-N 3.49Å
40	V	91.3	Very high	88.2	Confident	32 Å²	32	59.4 Å²	59.4	19%	0.194	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.9	179.6	-169.3	0	0	0	0	109.3	I32 G33 A53 I54 K55	I32-V40 HydrophobicContact CD1-CG1 3.9Å; I32-V40 HydrophobicContact CG1-CB 4.15Å; I32-V40 HydrophobicContact CG1-CG1 3.86Å; I32-V40 WeakPolarHBondContact CG1-O 3.41Å; I32-V40 PolarHBondContact N-O 2.7Å; G33-V40 PolarHBondContact N-O 3.36Å; G33-V40 PolarHBondContact O-N 2.84Å; V40-A53 HydrophobicContact CG1-CB 4.22Å; V40-I54 WeakPolarHBondContact CA-O 3.2Å; V40-K55 HydrophobicContact CG2-CB 4.07Å; V40-K55 HydrophobicContact CG2-CG 4.02Å
41	C	95.2	Very high	88.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.9	170.1	-67.9	0	0	0	0	110.9	F20 L29 K30 A53 I54	F20-C41 HydrophobicContact CE1-CB 4.22Å; L29-C41 HydrophobicContact CB-CB 4.32Å; L29-C41 HydrophobicContact CD2-CB 4.22Å; L29-C41 HydrophobicContact CG-CB 4.14Å; K30-C41 CarbonylContact O-C 3.59Å; K30-C41 WeakPolarHBondContact O-CA 3.39Å; K30-C41 WeakPolarHBondContact O-CB 3.24Å; C41-A53 CarbonylContact O-C 3.54Å; C41-A53 WeakPolarHBondContact O-CA 3.24Å; C41-I54 PolarHBondContact N-O 2.8Å; C41-I54 PolarHBondContact O-N 3.06Å
42	A	96.2	Very high	88.5	Confident	17 Å²	17	53 Å²	53	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	144.8	153.8	0	0	0	0	0	108.6	L29 K30 I32 V52 L110	L29-A42 CarbonylContact C-O 3.57Å; L29-A42 VanDerWaalsContact CA-O 3.27Å; L29-A42 WeakPolarHBondContact CA-O 3.43Å; K30-A42 PolarHBondContact N-O 3.27Å; K30-A42 PolarHBondContact O-N 2.85Å; I32-A42 HydrophobicContact CD1-CB 4.23Å; I32-A42 HydrophobicContact CG2-CB 3.67Å; A42-V52 CarbonylContact C-O 3.57Å; A42-V52 WeakPolarHBondContact CA-O 3.35Å; A42-L110 HydrophobicContact CB-CD1 3.98Å; A42-L110 HydrophobicContact CB-CD2 3.96Å
43	G	96.9	Very high	88.9	Confident	3 Å²	3	49 Å²	49	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	166.7	170.8	0	0	0	0	0	110.3	Q27 N51 V52	Q27-G43 WeakPolarHBondContact O-CA 3.09Å; G43-N51 CarbonylContact O-C 3.58Å; G43-N51 WeakPolarHBondContact O-CA 3.21Å; G43-V52 PolarHBondContact N-O 2.92Å; G43-V52 PolarHBondContact O-N 3.48Å
44	Y	97.8	Very high	89.6	Confident	73 Å²	73	47.4 Å²	47.4	29%	0.286	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.1	174.7	176	-102.9	0	0	0	109.4	Y26 Q27 A46 D49	Y26-Y44 CarbonylContact C-O 3.56Å; Y26-Y44 WeakPolarHBondContact CA-O 3.08Å; Q27-Y44 PolarHBondContact N-O 2.98Å; Q27-Y44 PolarHBondContact O-N 2.96Å; Y44-A46 HydrophobicContact CD1-CB 4.47Å; Y44-A46 HydrophobicContact CE1-CB 4.2Å; Y44-D49 PolarHBondContact OH-OD1 3.28Å
45	D	97.4	Very high	90.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	101.4	176.1	-174.1	-10.6	0	0	0	109.8	R25 Y26 V47 L48 D49 R50 V52	R25-D45 IonicContact CZ-OD1 4Å; R25-D45 IonicContact CZ-OD2 2.96Å; R25-D45 IonicContact NE-OD1 2.93Å; R25-D45 PolarHBondContact NE-OD1 3.48Å; R25-D45 IonicContact NE-OD2 3.81Å; R25-D45 PolarHBondContact NE-OD2 2.84Å; R25-D45 VanDerWaalsContact NH2-CG 3.29Å; R25-D45 IonicContact NH2-OD1 3.25Å; R25-D45 PolarHBondContact NH2-OD1 3.04Å; R25-D45 IonicContact NH2-OD2 3.66Å; R25-D45 PolarHBondContact NH2-OD2 2.74Å; Y26-D45 HydrophobicContact CD1-CB 4.02Å; Y26-D45 HydrophobicContact CE1-CB 4Å; D45-V47 PolarHBondContact O-N 3.18Å; D45-V47 VanDerWaalsContact O-N 3.13Å; D45-V47 PolarHBondContact OD1-N 3.4Å; D45-V47 VanDerWaalsContact OD1-N 3.07Å; D45-L48 HydrophobicContact CB-CB 4.3Å; D45-L48 PolarHBondContact O-N 3.26Å; D45-L48 PolarHBondContact OD1-N 3.29Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.43Å; D45-L48 WeakPolarHBondContact OD2-CG 3.46Å; D45-D49 WeakPolarHBondContact O-CA 3.41Å; D45-D49 PolarHBondContact O-N 2.99Å; D45-R50 PolarHBondContact N-O 3.19Å; D45-R50 PolarHBondContact O-N 3.18Å; D45-V52 HydrophobicContact CB-CG1 3.94Å; D45-V52 HydrophobicContact CB-CG2 4.2Å
46	A	96.1	Very high	91.6	Very high	47 Å²	47	42.2 Å²	42.2	39%	0.388	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.9	-177	0	0	0	0	0	114.1	R25 Y44	R25-A46 PolarHBondContact O-N 3.03Å; Y44-A46 HydrophobicContact CD1-CB 4.47Å; Y44-A46 HydrophobicContact CE1-CB 4.2Å
47	V	94	Very high	92.7	Very high	101 Å²	101	37.8 Å²	37.8	61%	0.612	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-36.5	176.9	173	0	0	0	0	111.4	R25 D45	R25-V47 HydrophobicContact CB-CG2 3.91Å; D45-V47 PolarHBondContact O-N 3.18Å; D45-V47 VanDerWaalsContact O-N 3.13Å; D45-V47 PolarHBondContact OD1-N 3.4Å; D45-V47 VanDerWaalsContact OD1-N 3.07Å
48	L	92	Very high	93.3	Very high	85 Å²	85	37.9 Å²	37.9	45%	0.445	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.9	178.3	-67.4	-179.7	0	0	0	113.4	D45 R50	D45-L48 HydrophobicContact CB-CB 4.3Å; D45-L48 PolarHBondContact O-N 3.26Å; D45-L48 PolarHBondContact OD1-N 3.29Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.43Å; D45-L48 WeakPolarHBondContact OD2-CG 3.46Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 HydrophobicContact CB-CG 3.8Å; L48-R50 PolarHBondContact O-N 3.14Å
49	D	94.9	Very high	93.4	Very high	121 Å²	121	46.1 Å²	46.1	65%	0.647	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	48.7	-175.4	-169.4	17.1	0	0	0	112.4	Y44 D45	Y44-D49 PolarHBondContact OH-OD1 3.28Å; D45-D49 WeakPolarHBondContact O-CA 3.41Å; D45-D49 PolarHBondContact O-N 2.99Å
50	R	94.9	Very high	93.5	Very high	78 Å²	78	45 Å²	45	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155	-178.5	71.5	-173.3	-123.6	166.5	11.4	112.7	D45 L48 V52 E109	D45-R50 PolarHBondContact N-O 3.19Å; D45-R50 PolarHBondContact O-N 3.18Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 HydrophobicContact CB-CG 3.8Å; L48-R50 PolarHBondContact O-N 3.14Å; R50-V52 HydrophobicContact CG-CG1 4.21Å; R50-E109 IonicContact CZ-OE1 3.75Å; R50-E109 IonicContact NH1-OE1 3.71Å; R50-E109 VanDerWaalsContact NH2-CG 3.27Å; R50-E109 IonicContact NH2-OE1 3.73Å; R50-E109 PolarHBondContact NH2-OE1 3.21Å
51	N	96.7	Very high	93.5	Very high	98 Å²	98	45 Å²	45	52%	0.524	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.1	169.6	-64.6	-42.9	0	0	0	111.2	G43 L110	G43-N51 CarbonylContact O-C 3.58Å; G43-N51 WeakPolarHBondContact O-CA 3.21Å; N51-L110 HydrophobicContact CB-CB 4.18Å; N51-L110 HydrophobicContact CB-CD2 3.59Å
52	V	96.9	Very high	93.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.2	-178.2	-64.7	0	0	0	0	110.8	Y26 A42 G43 D45 R50 I54 L89 V107 M108	Y26-V52 HydrophobicContact CD1-CG2 3.94Å; Y26-V52 HydrophobicContact CE1-CG2 4.2Å; A42-V52 CarbonylContact C-O 3.57Å; A42-V52 WeakPolarHBondContact CA-O 3.35Å; G43-V52 PolarHBondContact N-O 2.92Å; G43-V52 PolarHBondContact O-N 3.48Å; D45-V52 HydrophobicContact CB-CG1 3.94Å; D45-V52 HydrophobicContact CB-CG2 4.2Å; R50-V52 HydrophobicContact CG-CG1 4.21Å; V52-I54 HydrophobicContact CG2-CD1 4.3Å; V52-I54 HydrophobicContact CG2-CG1 4.1Å; V52-L89 HydrophobicContact CG1-CD1 3.76Å; V52-V107 HydrophobicContact CB-CG1 3.84Å; V52-V107 HydrophobicContact CG1-CG1 4.19Å; V52-V107 HydrophobicContact CG2-CG1 3.96Å; V52-M108 WeakPolarHBondContact CA-O 3.46Å; V52-M108 WeakPolarHBondContact CB-O 3.48Å
53	A	95.9	Very high	92.8	Very high	9 Å²	9	51.6 Å²	51.6	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.1	168.7	0	0	0	0	0	109.3	V40 C41 V107 M108 L110	V40-A53 HydrophobicContact CG1-CB 4.22Å; C41-A53 CarbonylContact O-C 3.54Å; C41-A53 WeakPolarHBondContact O-CA 3.24Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.37Å; A53-M108 PolarHBondContact N-O 3.1Å; A53-M108 PolarHBondContact O-N 3.24Å; A53-L110 HydrophobicContact CB-CD1 4.02Å
54	I	95.6	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.9	-178.9	-53.6	175.5	0	0	0	108.1	Y26 L29 V40 C41 V52 Y105 L106 V107	Y26-I54 HydrophobicContact CD1-CD1 4Å; Y26-I54 HydrophobicContact CD2-CD1 4.05Å; Y26-I54 HydrophobicContact CG-CD1 3.6Å; L29-I54 HydrophobicContact CD1-CD1 4.42Å; V40-I54 WeakPolarHBondContact CA-O 3.2Å; C41-I54 PolarHBondContact N-O 2.8Å; C41-I54 PolarHBondContact O-N 3.06Å; V52-I54 HydrophobicContact CG2-CD1 4.3Å; V52-I54 HydrophobicContact CG2-CG1 4.1Å; I54-Y105 HydrophobicContact CG2-CD1 4.02Å; I54-L106 CarbonylContact C-O 3.59Å; I54-L106 WeakPolarHBondContact CA-O 3.21Å; I54-V107 HydrophobicContact CG1-CG1 4.35Å; I54-V107 HydrophobicContact CG1-CG2 4.28Å; I54-V107 HydrophobicContact CG2-CG2 4.42Å
55	K	93.3	Very high	91.7	Very high	17 Å²	17	57.1 Å²	57.1	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.3	176.7	180	179.6	-178.9	-174.3	0	109.6	I39 V40 L57 E73 Y105 L106 M108	I39-K55 CarbonylContact O-C 3.42Å; I39-K55 WeakPolarHBondContact O-CA 3.37Å; V40-K55 HydrophobicContact CG2-CB 4.07Å; V40-K55 HydrophobicContact CG2-CG 4.02Å; K55-L57 HydrophobicContact CD-CD2 4.21Å; K55-L57 HydrophobicContact CG-CD2 4.3Å; K55-E73 IonicContact NZ-OE1 2.71Å; K55-E73 PolarHBondContact NZ-OE1 2.84Å; K55-E73 IonicContact NZ-OE2 2.87Å; K55-Y105 CarbonylContact O-C 3.58Å; K55-Y105 WeakPolarHBondContact O-CA 3.37Å; K55-L106 HydrophobicContact CB-CB 4.39Å; K55-L106 PolarHBondContact N-O 2.86Å; K55-L106 PolarHBondContact O-N 2.89Å; K55-M108 HydrophobicContact CB-CE 3.74Å; K55-M108 HydrophobicContact CD-CE 4.45Å
56	K	93.6	Very high	91.1	Very high	23 Å²	23	60.4 Å²	60.4	10%	0.1	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121	166.9	-175.9	-176.8	-177.3	-179	0	108.7	T19 F20 G38 I39 S58 D103 Y105	T19-K56 PolarHBondContact O-NZ 3.13Å; F20-K56 HydrophobicContact CD2-CD 4.39Å; F20-K56 HydrophobicContact CE1-CB 3.83Å; F20-K56 HydrophobicContact CE2-CB 4.21Å; F20-K56 HydrophobicContact CE2-CD 4.27Å; F20-K56 HydrophobicContact CZ-CB 3.65Å; G38-K56 CarbonylContact C-O 3.53Å; G38-K56 WeakPolarHBondContact CA-O 3.39Å; I39-K56 PolarHBondContact N-O 2.93Å; I39-K56 VanDerWaalsContact N-O 3.15Å; I39-K56 PolarHBondContact O-N 3.49Å; K56-S58 PolarHBondContact O-N 2.85Å; K56-D103 WeakPolarHBondContact CE-OD1 3.45Å; K56-D103 IonicContact NZ-OD1 3.6Å; K56-D103 PolarHBondContact NZ-OD1 2.85Å; K56-Y105 HydrophobicContact CB-CD1 3.88Å; K56-Y105 HydrophobicContact CB-CE1 3.67Å; K56-Y105 HydrophobicContact CD-CE1 3.82Å; K56-Y105 WeakPolarHBondContact CD-OH 3.23Å; K56-Y105 WeakPolarHBondContact CE-OH 3.41Å; K56-Y105 HydrophobicContact CG-CD1 4.16Å; K56-Y105 HydrophobicContact CG-CE1 3.65Å; K56-Y105 HydrophobicContact CG-CE2 4.47Å
57	L	90.1	Very high	90.7	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.3	176.7	-62.5	-171	0	0	0	110.7	K55 R59 P60 A70 V104 L106	K55-L57 HydrophobicContact CD-CD2 4.21Å; K55-L57 HydrophobicContact CG-CD2 4.3Å; L57-R59 PolarHBondContact O-N 2.71Å; L57-P60 HydrophobicContact CB-CB 4.41Å; L57-P60 HydrophobicContact CB-CG 4.32Å; L57-A70 HydrophobicContact CD1-CB 3.83Å; L57-V104 HydrophobicContact CB-CB 4.43Å; L57-V104 HydrophobicContact CD1-CB 4.01Å; L57-V104 HydrophobicContact CD1-CG1 4.1Å; L57-V104 HydrophobicContact CG-CB 4.25Å; L57-V104 HydrophobicContact CG-CG1 4.5Å; L57-V104 PolarHBondContact N-O 2.81Å; L57-L106 HydrophobicContact CD2-CD1 3.96Å; L57-L106 HydrophobicContact CG-CD1 4.41Å
58	S	81.6	Confident	90.4	Very high	48 Å²	48	54.9 Å²	54.9	34%	0.336	27%	0.269	S	S	.	.	S	Bend	trans	-81	109.1	179.8	-75.5	0	0	0	0	110.9	Q37 G38 K56	Q37-S58 PolarHBondContact O-N 2.87Å; G38-S58 VanDerWaalsContact CA-OG 3.26Å; G38-S58 WeakPolarHBondContact CA-OG 3.49Å; G38-S58 PolarHBondContact N-OG 2.89Å; K56-S58 PolarHBondContact O-N 2.85Å
59	R	83.8	Confident	90	Very high	178 Å²	178	53.6 Å²	53.6	67%	0.672	26%	0.258	S	S	*	.			trans	46.8	56.5	173.5	-59.1	-179.6	-71.9	-169.3	-5.8	113.4	L57 F61 Q62	L57-R59 PolarHBondContact O-N 2.71Å; R59-F61 PolarHBondContact O-N 2.96Å; R59-F61 VanDerWaalsContact O-N 3.07Å; R59-Q62 HydrophobicContact CB-CB 4.11Å; R59-Q62 WeakPolarHBondContact O-CB 3.49Å; R59-Q62 PolarHBondContact O-N 2.94Å; R59-Q62 VanDerWaalsContact O-N 3.1Å
60	P	88.9	Confident	89.7	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.032	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.3	-175.3	24.9	-34.2	0	0	0	113.2	L57 H66 A67 A70	L57-P60 HydrophobicContact CB-CB 4.41Å; L57-P60 HydrophobicContact CB-CG 4.32Å; P60-H66 CarbonylContact O-C 3.13Å; P60-H66 WeakPolarHBondContact O-CB 3.32Å; P60-A67 WeakPolarHBondContact O-CA 3.42Å; P60-A67 WeakPolarHBondContact O-CB 3.48Å; P60-A67 PolarHBondContact O-N 3.18Å; P60-A70 HydrophobicContact CB-CB 3.7Å
61	F	92.1	Very high	89.4	Confident	32 Å²	32	45.5 Å²	45.5	14%	0.14	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	13.9	-178.5	-43.9	-60.2	0	0	0	114.2	R59 N63 F101 V104 I349 K353 I356	R59-F61 PolarHBondContact O-N 2.96Å; R59-F61 VanDerWaalsContact O-N 3.07Å; F61-N63 VanDerWaalsContact C-N 3.3Å; F61-N63 PolarHBondContact O-N 2.86Å; F61-F101 HydrophobicContact CE1-CE1 4.04Å; F61-F101 AromaticContact CE2-CD1 3.93Å; F61-F101 HydrophobicContact CE2-CD1 3.93Å; F61-F101 AromaticContact CE2-CE1 3.83Å; F61-F101 HydrophobicContact CE2-CE1 3.83Å; F61-F101 HydrophobicContact CE2-CG 4.39Å; F61-F101 HydrophobicContact CE2-CZ 4.16Å; F61-F101 AromaticContact CZ-CD1 3.74Å; F61-F101 HydrophobicContact CZ-CD1 3.74Å; F61-F101 AromaticContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE2 4.4Å; F61-F101 AromaticContact CZ-CZ 3.6Å; F61-F101 HydrophobicContact CZ-CZ 3.6Å; F61-V104 HydrophobicContact CZ-CG2 4.49Å; F61-I349 HydrophobicContact CB-CG2 3.99Å; F61-I349 VanDerWaalsContact O-CG2 3.25Å; F61-I349 WeakPolarHBondContact O-CG2 3.26Å; F61-K353 HydrophobicContact CD1-CB 3.77Å; F61-K353 HydrophobicContact CD1-CG 4.01Å; F61-K353 HydrophobicContact CD2-CD 4.27Å; F61-K353 HydrophobicContact CD2-CG 4.31Å; F61-K353 HydrophobicContact CE1-CB 3.92Å; F61-K353 HydrophobicContact CE1-CG 3.95Å; F61-K353 HydrophobicContact CE2-CG 4.25Å; F61-K353 HydrophobicContact CG-CB 4.31Å; F61-K353 HydrophobicContact CG-CD 4.29Å; F61-K353 HydrophobicContact CG-CG 4.21Å; F61-K353 HydrophobicContact CZ-CG 4.11Å; F61-I356 HydrophobicContact CD1-CD1 4.4Å; F61-I356 HydrophobicContact CE1-CB 4.29Å; F61-I356 HydrophobicContact CE1-CD1 3.59Å; F61-I356 HydrophobicContact CE1-CG1 4.49Å; F61-I356 HydrophobicContact CZ-CD1 4.43Å; F61-I356 HydrophobicContact CZ-CG2 4.42Å
62	Q	88.3	Confident	88.8	Confident	103 Å²	103	41.1 Å²	41.1	48%	0.481	20%	0.197	S	C	.	.	S	Bend	trans	-64	-34.8	-178.2	179	-180	-10.6	0	0	112.9	R59	R59-Q62 HydrophobicContact CB-CB 4.11Å; R59-Q62 WeakPolarHBondContact O-CB 3.49Å; R59-Q62 PolarHBondContact O-N 2.94Å; R59-Q62 VanDerWaalsContact O-N 3.1Å
63	N	87.7	Confident	88.3	Confident	53 Å²	53	41.5 Å²	41.5	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	-156.6	168.3	175.9	60.1	54.9	0	0	0	110.1	F61 T65 H66 A67	F61-N63 VanDerWaalsContact C-N 3.3Å; F61-N63 PolarHBondContact O-N 2.86Å; N63-T65 VanDerWaalsContact C-N 3.27Å; N63-T65 PolarHBondContact O-N 3.13Å; N63-T65 WeakPolarHBondContact OD1-CB 3.25Å; N63-T65 PolarHBondContact OD1-N 2.8Å; N63-T65 VanDerWaalsContact OD1-N 3.14Å; N63-H66 PolarHBondContact ND2-CE1 3.02Å; N63-H66 PolarHBondContact ND2-ND1 2.56Å; N63-H66 VanDerWaalsContact ND2-ND1 3.17Å; N63-H66 PolarHBondContact O-N 3.2Å; N63-H66 PolarHBondContact OD1-N 2.71Å; N63-A67 PolarHBondContact O-N 3.28Å
64	Q	87.6	Confident	87.9	Confident	93 Å²	93	41.2 Å²	41.2	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-37.9	-178.6	-67.9	176.9	4.1	0	0	112.8	A67 K68 I349	Q64-A67 PolarHBondContact O-N 2.98Å; Q64-K68 VanDerWaalsContact O-CB 3.24Å; Q64-K68 WeakPolarHBondContact O-CB 3.41Å; Q64-K68 PolarHBondContact O-N 2.79Å; Q64-I349 HydrophobicContact CG-CG1 3.89Å
65	T	83.4	Confident	87.4	Confident	98 Å²	98	41.9 Å²	41.9	60%	0.601	20%	0.2	S	C	*	.	H	α-helix	trans	-64.1	-45	178.9	-55	0	0	0	0	112.1	N63 R69	N63-T65 VanDerWaalsContact C-N 3.27Å; N63-T65 PolarHBondContact O-N 3.13Å; N63-T65 WeakPolarHBondContact OD1-CB 3.25Å; N63-T65 PolarHBondContact OD1-N 2.8Å; N63-T65 VanDerWaalsContact OD1-N 3.14Å; T65-R69 WeakPolarHBondContact O-CB 3.36Å; T65-R69 PolarHBondContact O-N 2.92Å
66	H	84.7	Confident	86.9	Confident	71 Å²	71	41.1 Å²	41.1	33%	0.329	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-40.6	175.9	-68.3	149.5	0	0	0	111.4	P60 N63 R69 A70	P60-H66 CarbonylContact O-C 3.13Å; P60-H66 WeakPolarHBondContact O-CB 3.32Å; N63-H66 PolarHBondContact ND2-CE1 3.02Å; N63-H66 PolarHBondContact ND2-ND1 2.56Å; N63-H66 VanDerWaalsContact ND2-ND1 3.17Å; N63-H66 PolarHBondContact O-N 3.2Å; N63-H66 PolarHBondContact OD1-N 2.71Å; H66-R69 PolarHBondContact O-N 3.27Å; H66-A70 WeakPolarHBondContact O-CB 3.47Å; H66-A70 PolarHBondContact O-N 3.05Å
67	A	89.6	Confident	86.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-48.6	-177.3	0	0	0	0	0	111.3	P60 N63 Q64 R69 A70 Y71 W352	P60-A67 WeakPolarHBondContact O-CA 3.42Å; P60-A67 WeakPolarHBondContact O-CB 3.48Å; P60-A67 PolarHBondContact O-N 3.18Å; N63-A67 PolarHBondContact O-N 3.28Å; Q64-A67 PolarHBondContact O-N 2.98Å; A67-R69 VanDerWaalsContact C-N 3.28Å; A67-R69 PolarHBondContact O-N 2.79Å; A67-A70 PolarHBondContact O-N 3.24Å; A67-Y71 WeakPolarHBondContact O-CB 3.28Å; A67-Y71 PolarHBondContact O-N 3.21Å; A67-W352 HydrophobicContact CB-CB 3.56Å; A67-W352 HydrophobicContact CB-CG 3.83Å
68	K	86.6	Confident	86.2	Confident	32 Å²	32	42.7 Å²	42.7	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-41.2	173.4	-173.4	164.3	-177	160.6	0	111.7	Q64 R72 D343 R345 E346 W352	Q64-K68 VanDerWaalsContact O-CB 3.24Å; Q64-K68 WeakPolarHBondContact O-CB 3.41Å; Q64-K68 PolarHBondContact O-N 2.79Å; K68-R72 VanDerWaalsContact O-CB 3.27Å; K68-R72 WeakPolarHBondContact O-CB 3.44Å; K68-R72 PolarHBondContact O-N 2.83Å; K68-D343 VanDerWaalsContact CE-O 3.24Å; K68-D343 WeakPolarHBondContact CE-O 3.41Å; K68-D343 PolarHBondContact NZ-O 3.5Å; K68-R345 PolarHBondContact NZ-O 3.22Å; K68-E346 IonicContact NZ-OE1 3.95Å; K68-E346 PolarHBondContact NZ-OE1 3.47Å; K68-W352 HydrophobicContact CB-CD2 4.47Å; K68-W352 HydrophobicContact CB-CH2 4.49Å; K68-W352 HydrophobicContact CB-CZ2 3.8Å; K68-W352 HydrophobicContact CD-CZ2 3.77Å; K68-W352 HydrophobicContact CG-CH2 4.07Å; K68-W352 HydrophobicContact CG-CZ2 3.58Å
69	R	83.8	Confident	86.1	Confident	57 Å²	57	41.7 Å²	41.7	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-49	175.7	179.8	177.9	-177.3	150.9	17.9	112.2	T65 H66 A67 R72 E73 D169	T65-R69 WeakPolarHBondContact O-CB 3.36Å; T65-R69 PolarHBondContact O-N 2.92Å; H66-R69 PolarHBondContact O-N 3.27Å; A67-R69 VanDerWaalsContact C-N 3.28Å; A67-R69 PolarHBondContact O-N 2.79Å; R69-R72 PolarHBondContact O-N 3.08Å; R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 PolarHBondContact O-N 3.01Å; R69-D169 IonicContact CZ-OD1 3.85Å; R69-D169 IonicContact NH2-OD1 3.23Å; R69-D169 PolarHBondContact NH2-OD1 3.38Å; R69-D169 IonicContact NH2-OD2 2.74Å; R69-D169 PolarHBondContact NH2-OD2 2.84Å
70	A	87.6	Confident	86.1	Confident	7 Å²	7	33.5 Å²	33.5	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-45.5	-178.8	0	0	0	0	0	111.7	L57 P60 H66 A67 R72 E73 L74 I356	L57-A70 HydrophobicContact CD1-CB 3.83Å; P60-A70 HydrophobicContact CB-CB 3.7Å; H66-A70 WeakPolarHBondContact O-CB 3.47Å; H66-A70 PolarHBondContact O-N 3.05Å; A67-A70 PolarHBondContact O-N 3.24Å; A70-R72 VanDerWaalsContact C-N 3.3Å; A70-R72 PolarHBondContact O-N 3.43Å; A70-E73 PolarHBondContact O-N 3.03Å; A70-L74 PolarHBondContact O-N 3.22Å; A70-L74 VanDerWaalsContact O-N 3.08Å; A70-I356 HydrophobicContact CB-CD1 4.02Å
71	Y	88.8	Confident	86	Confident	23 Å²	23	37.9 Å²	37.9	9%	0.09	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-46.2	175.6	-178.9	-102.2	0	0	0	111.2	A67 L74 V75 L342 W352 L355 I356 E359	A67-Y71 WeakPolarHBondContact O-CB 3.28Å; A67-Y71 PolarHBondContact O-N 3.21Å; Y71-L74 WeakPolarHBondContact O-CB 3.48Å; Y71-L74 PolarHBondContact O-N 3.11Å; Y71-V75 HydrophobicContact CD1-CG2 4.06Å; Y71-V75 HydrophobicContact CD2-CG2 4.44Å; Y71-V75 HydrophobicContact CE1-CG2 3.59Å; Y71-V75 HydrophobicContact CE2-CG2 4.02Å; Y71-V75 HydrophobicContact CG-CG2 4.48Å; Y71-V75 WeakPolarHBondContact O-CG2 3.43Å; Y71-V75 PolarHBondContact O-N 3.27Å; Y71-L342 HydrophobicContact CE1-CD2 3.9Å; Y71-W352 HydrophobicContact CD1-CE3 4.03Å; Y71-W352 HydrophobicContact CD1-CH2 4.28Å; Y71-W352 AromaticContact CD1-CZ3 3.38Å; Y71-W352 HydrophobicContact CD1-CZ3 3.38Å; Y71-W352 HydrophobicContact CD2-CE3 4.49Å; Y71-W352 AromaticContact CE1-CZ3 3.93Å; Y71-W352 HydrophobicContact CE1-CZ3 3.93Å; Y71-W352 AromaticContact CG-CE3 3.86Å; Y71-W352 HydrophobicContact CG-CE3 3.86Å; Y71-W352 AromaticContact CG-CZ3 3.72Å; Y71-W352 HydrophobicContact CG-CZ3 3.72Å; Y71-L355 HydrophobicContact CD2-CB 3.89Å; Y71-L355 HydrophobicContact CE2-CB 3.61Å; Y71-I356 HydrophobicContact CD2-CG1 3.66Å; Y71-I356 HydrophobicContact CG-CG1 4.11Å; Y71-E359 HydrophobicContact CD2-CG 4.45Å; Y71-E359 HydrophobicContact CE2-CG 3.65Å
72	R	85.2	Confident	86	Confident	6 Å²	6	36.9 Å²	36.9	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-40.5	-178.4	-167.9	176.5	73	155.1	19	113.4	K68 R69 A70 L74 V75 L76 F170 G171 L172 A173 R174 Y338 D343	K68-R72 VanDerWaalsContact O-CB 3.27Å; K68-R72 WeakPolarHBondContact O-CB 3.44Å; K68-R72 PolarHBondContact O-N 2.83Å; R69-R72 PolarHBondContact O-N 3.08Å; A70-R72 VanDerWaalsContact C-N 3.3Å; A70-R72 PolarHBondContact O-N 3.43Å; R72-L74 PolarHBondContact O-N 3.2Å; R72-V75 PolarHBondContact O-N 2.61Å; R72-L76 HydrophobicContact CG-CD1 3.71Å; R72-L76 HydrophobicContact CG-CG 4Å; R72-L76 VanDerWaalsContact O-CB 3.3Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 VanDerWaalsContact O-CG 3.25Å; R72-L76 WeakPolarHBondContact O-CG 3.1Å; R72-L76 PolarHBondContact O-N 2.94Å; R72-F170 PolarHBondContact NH2-O 3.12Å; R72-G171 PolarHBondContact NH2-O 3.12Å; R72-G171 VanDerWaalsContact NH2-O 3.1Å; R72-L172 VanDerWaalsContact NH2-CA 3.31Å; R72-A173 PolarHBondContact NH1-O 3.41Å; R72-A173 PolarHBondContact NH2-O 3.16Å; R72-R174 VanDerWaalsContact NH1-CD 3.28Å; R72-R174 VanDerWaalsContact NH2-NH1 3.11Å; R72-Y338 WeakPolarHBondContact CD-OH 3.14Å; R72-Y338 HydrophobicContact CG-CE2 4.1Å; R72-Y338 VanDerWaalsContact CG-OH 3.26Å; R72-Y338 WeakPolarHBondContact CG-OH 3.28Å; R72-D343 WeakPolarHBondContact CD-OD1 2.85Å; R72-D343 IonicContact NH1-OD1 2.66Å; R72-D343 PolarHBondContact NH1-OD1 2.82Å; R72-D343 VanDerWaalsContact NH1-OD1 3.08Å; R72-D343 IonicContact NH1-OD2 3.5Å
73	E	85.6	Confident	86.3	Confident	7 Å²	7	35.9 Å²	35.9	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-44.9	173.3	-174	172.9	178.1	0	0	110.1	K55 R69 A70 M77 L106	K55-E73 IonicContact NZ-OE1 2.71Å; K55-E73 PolarHBondContact NZ-OE1 2.84Å; K55-E73 IonicContact NZ-OE2 2.87Å; R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 PolarHBondContact O-N 3.01Å; A70-E73 PolarHBondContact O-N 3.03Å; E73-M77 HydrophobicContact CG-SD 4.1Å; E73-M77 WeakPolarHBondContact O-CB 3.41Å; E73-M77 VanDerWaalsContact O-CG 3.23Å; E73-M77 WeakPolarHBondContact O-CG 3.42Å; E73-M77 PolarHBondContact O-N 2.94Å; E73-L106 HydrophobicContact CG-CD1 4.42Å
74	L	87.9	Confident	86.8	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-49.3	177.3	-176.6	60.1	0	0	0	112.9	A70 Y71 R72 M77 K78 L88 V91 L106 I356 E359 V360	A70-L74 PolarHBondContact O-N 3.22Å; A70-L74 VanDerWaalsContact O-N 3.08Å; Y71-L74 WeakPolarHBondContact O-CB 3.48Å; Y71-L74 PolarHBondContact O-N 3.11Å; R72-L74 PolarHBondContact O-N 3.2Å; L74-M77 PolarHBondContact O-N 3.49Å; L74-K78 WeakPolarHBondContact O-CG 3.44Å; L74-K78 PolarHBondContact O-N 3.42Å; L74-L88 HydrophobicContact CD1-CD2 3.96Å; L74-V91 HydrophobicContact CD1-CB 4.18Å; L74-V91 HydrophobicContact CD1-CG1 4.1Å; L74-V91 HydrophobicContact CD1-CG2 3.91Å; L74-L106 HydrophobicContact CD1-CD2 3.94Å; L74-I356 HydrophobicContact CD2-CG2 4.35Å; L74-E359 HydrophobicContact CD2-CB 3.58Å; L74-E359 HydrophobicContact CG-CB 4.41Å; L74-V360 HydrophobicContact CD2-CG2 4Å
75	V	85.8	Confident	87.1	Confident	15 Å²	15	29 Å²	29	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-46.5	180	172	0	0	0	0	111.1	Y71 R72 M77 K78 C79 Y338 L342	Y71-V75 HydrophobicContact CD1-CG2 4.06Å; Y71-V75 HydrophobicContact CD2-CG2 4.44Å; Y71-V75 HydrophobicContact CE1-CG2 3.59Å; Y71-V75 HydrophobicContact CE2-CG2 4.02Å; Y71-V75 HydrophobicContact CG-CG2 4.48Å; Y71-V75 WeakPolarHBondContact O-CG2 3.43Å; Y71-V75 PolarHBondContact O-N 3.27Å; R72-V75 PolarHBondContact O-N 2.61Å; V75-M77 PolarHBondContact O-N 3.27Å; V75-K78 WeakPolarHBondContact O-CB 3.27Å; V75-K78 PolarHBondContact O-N 3.16Å; V75-K78 VanDerWaalsContact O-N 3.11Å; V75-C79 PolarHBondContact O-N 3.03Å; V75-C79 PolarHBondContact O-SG 3.47Å; V75-C79 VanDerWaalsContact O-SG 3.32Å; V75-Y338 HydrophobicContact CG1-CD2 4.37Å; V75-Y338 HydrophobicContact CG1-CE2 4.25Å; V75-L342 HydrophobicContact CG1-CD1 4.16Å
76	L	82.7	Confident	87.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.2	-43.1	-179	-71.5	177.5	0	0	0	111.8	R72 K78 C79 V80 I147 F170 A173 Y338	R72-L76 HydrophobicContact CG-CD1 3.71Å; R72-L76 HydrophobicContact CG-CG 4Å; R72-L76 VanDerWaalsContact O-CB 3.3Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 VanDerWaalsContact O-CG 3.25Å; R72-L76 WeakPolarHBondContact O-CG 3.1Å; R72-L76 PolarHBondContact O-N 2.94Å; L76-K78 PolarHBondContact O-N 3.07Å; L76-C79 PolarHBondContact O-N 2.91Å; L76-V80 WeakPolarHBondContact O-CB 3.33Å; L76-V80 VanDerWaalsContact O-CG2 3.24Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.46Å; L76-I147 HydrophobicContact CD2-CD1 3.47Å; L76-I147 VanDerWaalsContact CD2-CD1 3.47Å; L76-I147 HydrophobicContact CD2-CG1 3.85Å; L76-F170 HydrophobicContact CB-CB 4.06Å; L76-F170 HydrophobicContact CB-CD2 4.19Å; L76-F170 HydrophobicContact CB-CG 4.24Å; L76-F170 HydrophobicContact CD1-CB 3.44Å; L76-F170 VanDerWaalsContact CD1-CB 3.44Å; L76-F170 HydrophobicContact CD1-CG 4.27Å; L76-F170 HydrophobicContact CG-CB 4.39Å; L76-A173 HydrophobicContact CD1-CB 4.46Å; L76-Y338 HydrophobicContact CD2-CD2 3.26Å; L76-Y338 HydrophobicContact CD2-CE2 3.61Å; L76-Y338 HydrophobicContact CD2-CG 3.83Å; L76-Y338 HydrophobicContact CG-CD2 4.13Å; L76-Y338 HydrophobicContact CG-CE2 4Å
77	M	86	Confident	87.7	Confident	9 Å²	9	21.5 Å²	21.5	4%	0.044	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-21.9	176.6	-71.5	-179.2	77.4	0	0	113.7	E73 L74 V75 I86 L88 L106 M108 F170	E73-M77 HydrophobicContact CG-SD 4.1Å; E73-M77 WeakPolarHBondContact O-CB 3.41Å; E73-M77 VanDerWaalsContact O-CG 3.23Å; E73-M77 WeakPolarHBondContact O-CG 3.42Å; E73-M77 PolarHBondContact O-N 2.94Å; L74-M77 PolarHBondContact O-N 3.49Å; V75-M77 PolarHBondContact O-N 3.27Å; M77-I86 HydrophobicContact CE-CG2 4.2Å; M77-L88 HydrophobicContact CB-CB 4.12Å; M77-L88 HydrophobicContact CE-CB 4.12Å; M77-L88 HydrophobicContact CE-CD1 3.97Å; M77-L106 HydrophobicContact SD-CD1 4.22Å; M77-M108 HydrophobicContact CE-CG 3.56Å; M77-M108 HydrophobicContact CE-SD 3.46Å; M77-M108 WeakPolarHBondContact CE-SD 3.39Å; M77-F170 HydrophobicContact CG-CD2 4.08Å; M77-F170 HydrophobicContact CG-CE2 4.21Å
78	K	82.4	Confident	87.8	Confident	57 Å²	57	22.5 Å²	22.5	25%	0.248	11%	0.109	C	C	.	.	H	α-helix	trans	-81.7	-34.8	173.5	-73.5	176.8	65.8	174.2	0	112.9	L74 V75 L76 L88 E359 F363	L74-K78 WeakPolarHBondContact O-CG 3.44Å; L74-K78 PolarHBondContact O-N 3.42Å; V75-K78 WeakPolarHBondContact O-CB 3.27Å; V75-K78 PolarHBondContact O-N 3.16Å; V75-K78 VanDerWaalsContact O-N 3.11Å; L76-K78 PolarHBondContact O-N 3.07Å; K78-L88 HydrophobicContact CG-CD2 4.08Å; K78-E359 IonicContact NZ-OE2 3.4Å; K78-E359 PolarHBondContact NZ-OE2 3.12Å; K78-F363 HydrophobicContact CD-CD2 4.18Å; K78-F363 HydrophobicContact CG-CD2 4.24Å; K78-F363 HydrophobicContact CG-CE2 4.42Å
79	C	79.8	Confident	88.1	Confident	27 Å²	27	22.6 Å²	22.6	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-79.5	-35.5	-177.4	-65.5	0	0	0	0	111.7	V75 L76 P335	V75-C79 PolarHBondContact O-N 3.03Å; V75-C79 PolarHBondContact O-SG 3.47Å; V75-C79 VanDerWaalsContact O-SG 3.32Å; L76-C79 PolarHBondContact O-N 2.91Å; C79-P335 WeakPolarHBondContact O-CB 3.39Å
80	V	83.8	Confident	88.5	Confident	6 Å²	6	20.3 Å²	20.3	4%	0.036	10%	0.103	C	C	.	.			trans	-86.2	126	-170.6	-178.2	0	0	0	0	112.6	L76 I85 L142 I147 P335	L76-V80 WeakPolarHBondContact O-CB 3.33Å; L76-V80 VanDerWaalsContact O-CG2 3.24Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.46Å; V80-I85 HydrophobicContact CB-CG2 4.36Å; V80-I85 HydrophobicContact CG1-CB 4.02Å; V80-I85 HydrophobicContact CG1-CD1 3.37Å; V80-I85 HydrophobicContact CG1-CG1 4.28Å; V80-I85 HydrophobicContact CG1-CG2 3.51Å; V80-L142 HydrophobicContact CG1-CD2 4.37Å; V80-L142 HydrophobicContact CG2-CD2 4.17Å; V80-I147 HydrophobicContact CG2-CD1 4.1Å; V80-P335 HydrophobicContact CB-CB 4.5Å; V80-P335 HydrophobicContact CB-CG 4.46Å; V80-P335 HydrophobicContact CG2-CB 4.29Å; V80-P335 HydrophobicContact CG2-CG 3.99Å
81	N	87.1	Confident	88.9	Confident	96 Å²	96	20 Å²	20	51%	0.513	10%	0.1	S	C	.	.			trans	-134.7	93.2	176.6	-174.5	30.4	0	0	0	111
82	H	92.6	Very high	89.1	Confident	11 Å²	11	18.9 Å²	18.9	5%	0.051	10%	0.096	C	C	.	.			trans	-147.1	144.1	178.7	-173.5	-101.5	0	0	0	110.6	N84 I85 H141 E329	H82-N84 PolarHBondContact CE1-OD1 2.77Å; H82-N84 VanDerWaalsContact CE1-OD1 3.24Å; H82-N84 PolarHBondContact ND1-N 3.26Å; H82-N84 VanDerWaalsContact ND1-N 3.11Å; H82-N84 PolarHBondContact O-N 3.04Å; H82-I85 HydrophobicContact CB-CB 4.23Å; H82-I85 HydrophobicContact CB-CD1 3.96Å; H82-I85 HydrophobicContact CB-CG1 4.21Å; H82-I85 PolarHBondContact O-N 3.33Å; H82-H141 HydrophobicContact CB-CB 4.23Å; H82-H141 AromaticContact CD2-CG 3.89Å; H82-H141 AromaticContact CD2-ND1 3.77Å; H82-H141 AromaticContact CG-CG 3.81Å; H82-E329 PolarHBondContact NE2-O 3.1Å; H82-E329 VanDerWaalsContact NE2-O 3.08Å
83	K	94.4	Very high	89.6	Confident	82 Å²	82	18.8 Å²	18.8	36%	0.357	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.5	-176.1	67.2	169.5	-168.9	157.8	0	113.3	I85 K166 E329	K83-I85 VanDerWaalsContact C-N 3.33Å; K83-K166 WeakPolarHBondContact O-CE 3.45Å; K83-K166 VanDerWaalsContact O-CG 3.23Å; K83-K166 WeakPolarHBondContact O-CG 3.48Å; K83-K166 PolarHBondContact O-NZ 3.2Å; K83-E329 WeakPolarHBondContact CE-OE1 3.25Å; K83-E329 WeakPolarHBondContact CE-OE2 3.27Å; K83-E329 IonicContact NZ-OE1 3.08Å; K83-E329 PolarHBondContact NZ-OE1 3.02Å; K83-E329 IonicContact NZ-OE2 3.96Å; K83-E329 PolarHBondContact NZ-OE2 2.96Å
84	N	96.7	Very high	90	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	14.7	177.7	-55.1	114.2	0	0	0	114.4	H82 Q134 L165 K166 I167	H82-N84 PolarHBondContact CE1-OD1 2.77Å; H82-N84 VanDerWaalsContact CE1-OD1 3.24Å; H82-N84 PolarHBondContact ND1-N 3.26Å; H82-N84 VanDerWaalsContact ND1-N 3.11Å; H82-N84 PolarHBondContact O-N 3.04Å; N84-Q134 VanDerWaalsContact CB-O 3.28Å; N84-Q134 WeakPolarHBondContact CB-O 3.17Å; N84-Q134 WeakPolarHBondContact ND2-CB 3.47Å; N84-Q134 WeakPolarHBondContact ND2-CG 3.26Å; N84-Q134 PolarHBondContact ND2-OE1 3.5Å; N84-Q134 VanDerWaalsContact ND2-OE1 3.13Å; N84-L165 VanDerWaalsContact CA-O 3.26Å; N84-L165 WeakPolarHBondContact CA-O 3.4Å; N84-L165 PolarHBondContact ND2-O 2.94Å; N84-K166 WeakPolarHBondContact O-CA 3.15Å; N84-I167 PolarHBondContact O-N 2.92Å
85	I	93.9	Very high	90.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-124.3	141.5	173.7	-66.5	172.3	0	0	0	107.9	V80 H82 K83 S87 H141 L142 K166 F170	V80-I85 HydrophobicContact CB-CG2 4.36Å; V80-I85 HydrophobicContact CG1-CB 4.02Å; V80-I85 HydrophobicContact CG1-CD1 3.37Å; V80-I85 HydrophobicContact CG1-CG1 4.28Å; V80-I85 HydrophobicContact CG1-CG2 3.51Å; H82-I85 HydrophobicContact CB-CB 4.23Å; H82-I85 HydrophobicContact CB-CD1 3.96Å; H82-I85 HydrophobicContact CB-CG1 4.21Å; H82-I85 PolarHBondContact O-N 3.33Å; K83-I85 VanDerWaalsContact C-N 3.33Å; I85-S87 PolarHBondContact O-N 2.86Å; I85-H141 HydrophobicContact CD1-CB 4.26Å; I85-L142 HydrophobicContact CD1-CD1 4.44Å; I85-L142 HydrophobicContact CD1-CD2 3.75Å; I85-L142 HydrophobicContact CD1-CG 3.71Å; I85-K166 PolarHBondContact O-NZ 3.49Å; I85-F170 HydrophobicContact CG2-CE1 4.48Å; I85-F170 HydrophobicContact CG2-CE2 4.01Å; I85-F170 HydrophobicContact CG2-CZ 3.46Å; I85-F170 VanDerWaalsContact CG2-CZ 3.46Å
86	I	92.3	Very high	90.5	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-65.2	131.7	176.6	-165.8	63.2	0	0	0	111	M77 M108 E109 K166 I167 L168 F170	M77-I86 HydrophobicContact CE-CG2 4.2Å; I86-M108 HydrophobicContact CD1-CB 4.09Å; I86-M108 HydrophobicContact CG1-CB 3.9Å; I86-M108 HydrophobicContact CG1-CG 4.05Å; I86-M108 HydrophobicContact CG1-SD 3.91Å; I86-E109 HydrophobicContact CD1-CB 4.14Å; I86-E109 HydrophobicContact CD1-CG 4.34Å; I86-K166 HydrophobicContact CD1-CD 4.2Å; I86-I167 WeakPolarHBondContact CG2-O 3.3Å; I86-I167 PolarHBondContact N-O 3.34Å; I86-L168 HydrophobicContact CB-CD2 3.62Å; I86-L168 HydrophobicContact CD1-CD2 4.26Å; I86-L168 HydrophobicContact CG1-CD2 3.76Å; I86-L168 HydrophobicContact CG2-CD2 3.71Å; I86-F170 HydrophobicContact CG2-CE2 4.49Å
87	S	89.8	Confident	91	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.049	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-98.9	141.9	179.7	-53.1	0	0	0	0	111	I85 Q375	I85-S87 PolarHBondContact O-N 2.86Å; S87-Q375 PolarHBondContact OG-NE2 3.48Å
88	L	91.3	Very high	91.4	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.6	170.5	-170.8	68	0	0	0	109.6	L74 M77 K78 N90 V91 L106 F363	L74-L88 HydrophobicContact CD1-CD2 3.96Å; M77-L88 HydrophobicContact CB-CB 4.12Å; M77-L88 HydrophobicContact CE-CB 4.12Å; M77-L88 HydrophobicContact CE-CD1 3.97Å; K78-L88 HydrophobicContact CG-CD2 4.08Å; L88-N90 VanDerWaalsContact CD1-O 3.26Å; L88-N90 WeakPolarHBondContact CD1-O 3.27Å; L88-V91 HydrophobicContact CD1-CB 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.2Å; L88-V91 HydrophobicContact CD2-CG1 4.14Å; L88-L106 HydrophobicContact CD1-CB 4.04Å; L88-L106 HydrophobicContact CD1-CD2 4.03Å; L88-F363 HydrophobicContact CD2-CD2 4.31Å; L88-F363 HydrophobicContact CD2-CE2 3.93Å; L88-F363 HydrophobicContact CD2-CZ 4.4Å; L88-F363 HydrophobicContact CG-CE2 4.44Å; L88-F363 HydrophobicContact CG-CZ 4.48Å
89	L	91.5	Very high	91.9	Very high	34 Å²	34	36.5 Å²	36.5	18%	0.178	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-38.9	176.1	-56.4	175.5	0	0	0	111.5	V52 V107 M108 E109	V52-L89 HydrophobicContact CG1-CD1 3.76Å; L89-V107 HydrophobicContact CB-CG1 4.41Å; L89-V107 WeakPolarHBondContact CB-O 3.25Å; L89-V107 PolarHBondContact N-O 3.31Å; L89-M108 VanDerWaalsContact CD1-C 3.44Å; L89-M108 WeakPolarHBondContact CD1-O 3.28Å; L89-E109 HydrophobicContact CD1-CG 4.39Å; L89-E109 HydrophobicContact CD2-CG 4.23Å; L89-E109 HydrophobicContact CG-CG 4.41Å
90	N	93.5	Very high	92.6	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	155.7	178.2	-161.1	2.2	0	0	0	110.6	Y26 L88 V107	Y26-N90 VanDerWaalsContact OH-CB 3.25Å; Y26-N90 WeakPolarHBondContact OH-CB 3.43Å; Y26-N90 PolarHBondContact OH-ND2 3.01Å; L88-N90 VanDerWaalsContact CD1-O 3.26Å; L88-N90 WeakPolarHBondContact CD1-O 3.27Å; N90-V107 HydrophobicContact CB-CB 3.85Å; N90-V107 HydrophobicContact CB-CG2 4.04Å; N90-V107 PolarHBondContact N-O 2.95Å; N90-V107 WeakPolarHBondContact O-CB 3.36Å; N90-V107 PolarHBondContact O-N 3.2Å
91	V	94.8	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.6	166.7	56	0	0	0	0	108.3	L74 L88 V104 Y105 L106 V360 F363	L74-V91 HydrophobicContact CD1-CB 4.18Å; L74-V91 HydrophobicContact CD1-CG1 4.1Å; L74-V91 HydrophobicContact CD1-CG2 3.91Å; L88-V91 HydrophobicContact CD1-CB 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.2Å; L88-V91 HydrophobicContact CD2-CG1 4.14Å; V91-V104 HydrophobicContact CG2-CG1 3.93Å; V91-Y105 VanDerWaalsContact CA-O 3.28Å; V91-Y105 WeakPolarHBondContact CA-O 3.35Å; V91-Y105 WeakPolarHBondContact CG2-O 3.28Å; V91-L106 HydrophobicContact CB-CD2 4.19Å; V91-L106 HydrophobicContact CG2-CD2 3.74Å; V91-V360 HydrophobicContact CG2-CB 4.47Å; V91-V360 HydrophobicContact CG2-CG1 4.19Å; V91-V360 HydrophobicContact CG2-CG2 3.83Å; V91-F363 HydrophobicContact CG1-CB 3.44Å; V91-F363 VanDerWaalsContact CG1-CB 3.44Å; V91-F363 HydrophobicContact CG1-CD1 3.58Å; V91-F363 HydrophobicContact CG1-CD2 3.9Å; V91-F363 HydrophobicContact CG1-CE1 4.34Å; V91-F363 HydrophobicContact CG1-CG 3.35Å
92	F	94.9	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.6	-179.5	64.6	-93.4	0	0	0	111.8	F10 V22 L23 Y26 Y105 V107 E364	F10-F92 HydrophobicContact CD1-CE2 4.49Å; F10-F92 AromaticContact CE1-CD2 3.61Å; F10-F92 HydrophobicContact CE1-CD2 3.61Å; F10-F92 AromaticContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CG 4.49Å; F10-F92 HydrophobicContact CZ-CD2 4.4Å; V22-F92 HydrophobicContact CB-CE2 4.3Å; V22-F92 HydrophobicContact CB-CZ 3.92Å; V22-F92 HydrophobicContact CG1-CE2 4.35Å; V22-F92 HydrophobicContact CG1-CZ 3.94Å; L23-F92 HydrophobicContact CD1-CB 4.43Å; L23-F92 HydrophobicContact CD1-CD1 4.11Å; L23-F92 HydrophobicContact CD1-CG 4.2Å; L23-F92 HydrophobicContact CG-CD2 4.47Å; L23-F92 HydrophobicContact CG-CG 4.37Å; Y26-F92 AromaticContact CD2-CE1 3.97Å; Y26-F92 HydrophobicContact CD2-CE1 3.97Å; Y26-F92 HydrophobicContact CD2-CZ 4.26Å; Y26-F92 HydrophobicContact CE2-CD1 4.07Å; Y26-F92 AromaticContact CE2-CE1 3.45Å; Y26-F92 HydrophobicContact CE2-CE1 3.45Å; Y26-F92 VanDerWaalsContact CE2-CE1 3.45Å; Y26-F92 HydrophobicContact CE2-CZ 4.16Å; F92-Y105 AromaticContact CD2-CD2 3.96Å; F92-Y105 HydrophobicContact CD2-CD2 3.96Å; F92-Y105 HydrophobicContact CD2-CG 4.17Å; F92-Y105 HydrophobicContact CE1-CG 4.39Å; F92-Y105 VanDerWaalsContact CE2-CB 3.5Å; F92-Y105 HydrophobicContact CE2-CD1 4.21Å; F92-Y105 AromaticContact CE2-CD2 3.51Å; F92-Y105 HydrophobicContact CE2-CD2 3.51Å; F92-Y105 HydrophobicContact CE2-CE2 4.28Å; F92-Y105 AromaticContact CE2-CG 3.47Å; F92-Y105 HydrophobicContact CE2-CG 3.47Å; F92-Y105 VanDerWaalsContact CE2-CG 3.47Å; F92-Y105 HydrophobicContact CZ-CD1 4.09Å; F92-Y105 HydrophobicContact CZ-CD2 4.16Å; F92-Y105 AromaticContact CZ-CG 3.61Å; F92-Y105 HydrophobicContact CZ-CG 3.61Å; F92-Y105 PolarHBondContact N-O 2.99Å; F92-Y105 VanDerWaalsContact N-O 3.1Å; F92-Y105 PolarHBondContact O-N 2.8Å; F92-V107 HydrophobicContact CD1-CG2 4.11Å; F92-V107 HydrophobicContact CE1-CG2 3.63Å; F92-E364 WeakPolarHBondContact CA-OE1 3.43Å; F92-E364 VanDerWaalsContact CB-OE1 3.32Å; F92-E364 WeakPolarHBondContact CB-OE1 3.26Å
93	T	95.4	Very high	93.4	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.025	21%	0.207	C	C	.	.			trans	-132.6	140.3	167.3	-179.8	0	0	0	0	109.5	F10 Q95 F101 D103 Y357 V360 M361	F10-T93 WeakPolarHBondContact CZ-O 3.47Å; T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact OG1-N 3Å; T93-Q95 PolarHBondContact OG1-OE1 2.81Å; T93-F101 HydrophobicContact CG2-CD2 4Å; T93-F101 HydrophobicContact CG2-CE2 3.98Å; T93-F101 WeakPolarHBondContact OG1-CD2 3.39Å; T93-D103 WeakPolarHBondContact CB-O 3.33Å; T93-D103 PolarHBondContact OG1-O 3.22Å; T93-Y357 HydrophobicContact CG2-CE2 4.27Å; T93-V360 HydrophobicContact CG2-CG1 4.03Å; T93-M361 HydrophobicContact CG2-CE 3.48Å; T93-M361 VanDerWaalsContact CG2-CE 3.48Å
94	P	93.6	Very high	93.4	Very high	23 Å²	23	39 Å²	39	15%	0.149	19%	0.191	C	C	.	.	S	Bend	trans	-76.1	-15.6	176.5	31.5	-35.8	0	0	0	112.9	F10 T21 D103 Y105	F10-P94 HydrophobicContact CD1-CB 3.84Å; F10-P94 HydrophobicContact CE1-CB 4.04Å; F10-P94 HydrophobicContact CG-CB 4.13Å; F10-P94 HydrophobicContact CZ-CB 4.48Å; T21-P94 HydrophobicContact CG2-CB 3.54Å; T21-P94 HydrophobicContact CG2-CG 4.14Å; P94-D103 HydrophobicContact CG-CB 4.49Å; P94-Y105 HydrophobicContact CG-CE2 4.03Å
95	Q	93.7	Very high	93.3	Very high	35 Å²	35	38.9 Å²	38.9	16%	0.164	19%	0.19	C	C	.	.			trans	-83.3	143.2	-178.4	-64.9	100.2	14.1	0	0	111.5	T93 E100 D103	T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact OG1-N 3Å; T93-Q95 PolarHBondContact OG1-OE1 2.81Å; Q95-E100 HydrophobicContact CB-CB 3.99Å; Q95-E100 HydrophobicContact CG-CB 4.2Å; Q95-E100 WeakPolarHBondContact CG-O 3.4Å; Q95-D103 PolarHBondContact NE2-OD2 2.95Å
96	K	89.4	Confident	93.3	Very high	177 Å²	177	38.9 Å²	38.9	77%	0.77	19%	0.19	S	C	*	.	S	Bend	trans	-97.7	-13.5	-169	-65.9	-175.4	-179.4	177.1	0	114.7	Y357	K96-Y357 PolarHBondContact O-OH 3.45Å
97	S	93.7	Very high	93.4	Very high	33 Å²	33	38.7 Å²	38.7	23%	0.231	19%	0.189	C	C	.	.	S	Bend	trans	-134.8	160.5	-179.3	88.2	0	0	0	0	110.9	E99 E100 F101	S97-E99 VanDerWaalsContact C-N 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.3Å; S97-E99 PolarHBondContact O-N 2.79Å; S97-E99 PolarHBondContact OG-N 2.76Å; S97-E99 PolarHBondContact OG-OE2 2.93Å; S97-E100 PolarHBondContact O-N 2.65Å; S97-E100 PolarHBondContact OG-N 2.88Å; S97-F101 WeakPolarHBondContact O-CB 3.38Å; S97-F101 PolarHBondContact O-N 3.14Å
98	L	93.9	Very high	93.7	Very high	48 Å²	48	39.2 Å²	39.2	25%	0.251	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.6	177.9	177.1	66	0	0	0	111.4	E100 F101 K353 E354 Y357	L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 3Å; L98-F101 WeakPolarHBondContact O-CB 3.27Å; L98-F101 PolarHBondContact O-N 3.13Å; L98-K353 HydrophobicContact CD1-CG 4.11Å; L98-K353 WeakPolarHBondContact O-CE 3.26Å; L98-K353 PolarHBondContact O-NZ 2.88Å; L98-E354 HydrophobicContact CD1-CG 4.09Å; L98-E354 HydrophobicContact CD2-CG 3.5Å; L98-E354 VanDerWaalsContact CD2-CG 3.5Å; L98-E354 HydrophobicContact CG-CG 4.41Å; L98-Y357 HydrophobicContact CB-CD1 4.29Å; L98-Y357 HydrophobicContact CB-CE1 4.37Å; L98-Y357 HydrophobicContact CD1-CD1 4.16Å; L98-Y357 HydrophobicContact CD1-CG 3.98Å
99	E	93.9	Very high	93.7	Very high	146 Å²	146	39.3 Å²	39.3	68%	0.682	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-44.8	-179.8	-58.3	73.9	-157.4	0	0	110.5	S97 K353	S97-E99 VanDerWaalsContact C-N 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.3Å; S97-E99 PolarHBondContact O-N 2.79Å; S97-E99 PolarHBondContact OG-N 2.76Å; S97-E99 PolarHBondContact OG-OE2 2.93Å; E99-K353 PolarHBondContact O-NZ 3.47Å
100	E	93.5	Very high	93.8	Very high	115 Å²	115	39.6 Å²	39.6	54%	0.537	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.8	179.4	-64.6	179.7	172.2	0	0	113.6	Q95 S97 L98 Q102	Q95-E100 HydrophobicContact CB-CB 3.99Å; Q95-E100 HydrophobicContact CG-CB 4.2Å; Q95-E100 WeakPolarHBondContact CG-O 3.4Å; S97-E100 PolarHBondContact O-N 2.65Å; S97-E100 PolarHBondContact OG-N 2.88Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 3Å; E100-Q102 WeakPolarHBondContact O-CG 3.42Å; E100-Q102 PolarHBondContact O-N 3.01Å
101	F	95	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.			trans	-58.1	119.9	-172	177.5	-133	0	0	0	112.9	F61 T93 S97 L98 D103 V104 K353 I356 Y357	F61-F101 HydrophobicContact CE1-CE1 4.04Å; F61-F101 AromaticContact CE2-CD1 3.93Å; F61-F101 HydrophobicContact CE2-CD1 3.93Å; F61-F101 AromaticContact CE2-CE1 3.83Å; F61-F101 HydrophobicContact CE2-CE1 3.83Å; F61-F101 HydrophobicContact CE2-CG 4.39Å; F61-F101 HydrophobicContact CE2-CZ 4.16Å; F61-F101 AromaticContact CZ-CD1 3.74Å; F61-F101 HydrophobicContact CZ-CD1 3.74Å; F61-F101 AromaticContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE2 4.4Å; F61-F101 AromaticContact CZ-CZ 3.6Å; F61-F101 HydrophobicContact CZ-CZ 3.6Å; T93-F101 HydrophobicContact CG2-CD2 4Å; T93-F101 HydrophobicContact CG2-CE2 3.98Å; T93-F101 WeakPolarHBondContact OG1-CD2 3.39Å; S97-F101 WeakPolarHBondContact O-CB 3.38Å; S97-F101 PolarHBondContact O-N 3.14Å; L98-F101 WeakPolarHBondContact O-CB 3.27Å; L98-F101 PolarHBondContact O-N 3.13Å; F101-D103 WeakPolarHBondContact CE2-O 3.41Å; F101-V104 HydrophobicContact CE2-CG2 3.61Å; F101-V104 HydrophobicContact CZ-CG2 3.42Å; F101-V104 VanDerWaalsContact CZ-CG2 3.42Å; F101-K353 HydrophobicContact CD1-CD 4.46Å; F101-K353 HydrophobicContact CD1-CG 3.67Å; F101-K353 HydrophobicContact CE1-CG 4.23Å; F101-K353 WeakPolarHBondContact O-CE 3.34Å; F101-K353 PolarHBondContact O-NZ 2.88Å; F101-I356 HydrophobicContact CE1-CB 4.23Å; F101-I356 HydrophobicContact CE1-CG2 4.03Å; F101-I356 HydrophobicContact CZ-CB 4.49Å; F101-I356 HydrophobicContact CZ-CG2 3.8Å; F101-Y357 HydrophobicContact CB-CD2 3.88Å; F101-Y357 HydrophobicContact CB-CE2 4.21Å; F101-Y357 AromaticContact CD1-CD2 3.67Å; F101-Y357 HydrophobicContact CD1-CD2 3.67Å; F101-Y357 HydrophobicContact CD1-CG 4.09Å; F101-Y357 AromaticContact CD2-CD2 3.85Å; F101-Y357 HydrophobicContact CD2-CD2 3.85Å; F101-Y357 HydrophobicContact CD2-CE2 4.4Å; F101-Y357 HydrophobicContact CE1-CD2 4.06Å; F101-Y357 HydrophobicContact CE1-CG 4.37Å; F101-Y357 HydrophobicContact CE2-CD2 4.25Å; F101-Y357 AromaticContact CG-CD2 3.54Å; F101-Y357 HydrophobicContact CG-CD2 3.54Å; F101-Y357 HydrophobicContact CG-CE2 4.25Å; F101-Y357 HydrophobicContact CG-CG 4.38Å; F101-Y357 HydrophobicContact CZ-CD2 4.33Å
102	Q	92.2	Very high	93.7	Very high	126 Å²	126	44.9 Å²	44.9	59%	0.589	22%	0.22	S	C	*	.			trans	-141.2	-37.9	-177.8	-72.5	-177.4	14.6	0	0	112.6	E100	E100-Q102 WeakPolarHBondContact O-CG 3.42Å; E100-Q102 PolarHBondContact O-N 3.01Å
103	D	93.4	Very high	93.5	Very high	32 Å²	32	46 Å²	46	17%	0.171	23%	0.229	C	C	.	.			trans	-107.3	136.5	-174.1	-61.4	-57.1	0	0	0	111.5	K56 T93 P94 Q95 F101 Y105	K56-D103 WeakPolarHBondContact CE-OD1 3.45Å; K56-D103 IonicContact NZ-OD1 3.6Å; K56-D103 PolarHBondContact NZ-OD1 2.85Å; T93-D103 WeakPolarHBondContact CB-O 3.33Å; T93-D103 PolarHBondContact OG1-O 3.22Å; P94-D103 HydrophobicContact CG-CB 4.49Å; Q95-D103 PolarHBondContact NE2-OD2 2.95Å; F101-D103 WeakPolarHBondContact CE2-O 3.41Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.66Å
104	V	94.9	Very high	93.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	24%	0.242	C	C	.	.			trans	-122.4	128.9	171.2	-179.4	0	0	0	0	108.2	L57 F61 V91 F101 L106 I356 V360	L57-V104 HydrophobicContact CB-CB 4.43Å; L57-V104 HydrophobicContact CD1-CB 4.01Å; L57-V104 HydrophobicContact CD1-CG1 4.1Å; L57-V104 HydrophobicContact CG-CB 4.25Å; L57-V104 HydrophobicContact CG-CG1 4.5Å; L57-V104 PolarHBondContact N-O 2.81Å; F61-V104 HydrophobicContact CZ-CG2 4.49Å; V91-V104 HydrophobicContact CG2-CG1 3.93Å; F101-V104 HydrophobicContact CE2-CG2 3.61Å; F101-V104 HydrophobicContact CZ-CG2 3.42Å; F101-V104 VanDerWaalsContact CZ-CG2 3.42Å; V104-L106 HydrophobicContact CG1-CD2 4.16Å; V104-I356 HydrophobicContact CG2-CG2 3.99Å; V104-V360 HydrophobicContact CG1-CG2 4.22Å
105	Y	94.9	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.7	176.2	-65.3	-97.9	0	0	0	109.6	F20 T21 V22 I54 K55 K56 V91 F92 P94 D103	F20-Y105 HydrophobicContact CB-CE1 4.48Å; F20-Y105 HydrophobicContact CD1-CD1 4.27Å; F20-Y105 AromaticContact CD1-CE1 3.73Å; F20-Y105 HydrophobicContact CD1-CE1 3.73Å; F20-Y105 HydrophobicContact CE1-CD1 4.47Å; F20-Y105 HydrophobicContact CE1-CE1 4.18Å; F20-Y105 HydrophobicContact CG-CE1 4.18Å; T21-Y105 PolarHBondContact N-OH 3.07Å; V22-Y105 HydrophobicContact CG1-CD1 4.03Å; V22-Y105 HydrophobicContact CG1-CE1 3.91Å; I54-Y105 HydrophobicContact CG2-CD1 4.02Å; K55-Y105 CarbonylContact O-C 3.58Å; K55-Y105 WeakPolarHBondContact O-CA 3.37Å; K56-Y105 HydrophobicContact CB-CD1 3.88Å; K56-Y105 HydrophobicContact CB-CE1 3.67Å; K56-Y105 HydrophobicContact CD-CE1 3.82Å; K56-Y105 WeakPolarHBondContact CD-OH 3.23Å; K56-Y105 WeakPolarHBondContact CE-OH 3.41Å; K56-Y105 HydrophobicContact CG-CD1 4.16Å; K56-Y105 HydrophobicContact CG-CE1 3.65Å; K56-Y105 HydrophobicContact CG-CE2 4.47Å; V91-Y105 VanDerWaalsContact CA-O 3.28Å; V91-Y105 WeakPolarHBondContact CA-O 3.35Å; V91-Y105 WeakPolarHBondContact CG2-O 3.28Å; F92-Y105 AromaticContact CD2-CD2 3.96Å; F92-Y105 HydrophobicContact CD2-CD2 3.96Å; F92-Y105 HydrophobicContact CD2-CG 4.17Å; F92-Y105 HydrophobicContact CE1-CG 4.39Å; F92-Y105 VanDerWaalsContact CE2-CB 3.5Å; F92-Y105 HydrophobicContact CE2-CD1 4.21Å; F92-Y105 AromaticContact CE2-CD2 3.51Å; F92-Y105 HydrophobicContact CE2-CD2 3.51Å; F92-Y105 HydrophobicContact CE2-CE2 4.28Å; F92-Y105 AromaticContact CE2-CG 3.47Å; F92-Y105 HydrophobicContact CE2-CG 3.47Å; F92-Y105 VanDerWaalsContact CE2-CG 3.47Å; F92-Y105 HydrophobicContact CZ-CD1 4.09Å; F92-Y105 HydrophobicContact CZ-CD2 4.16Å; F92-Y105 AromaticContact CZ-CG 3.61Å; F92-Y105 HydrophobicContact CZ-CG 3.61Å; F92-Y105 PolarHBondContact N-O 2.99Å; F92-Y105 VanDerWaalsContact N-O 3.1Å; F92-Y105 PolarHBondContact O-N 2.8Å; P94-Y105 HydrophobicContact CG-CE2 4.03Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.66Å
106	L	93.8	Very high	93.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.2	174.8	-54.8	176.4	0	0	0	108.7	I54 K55 L57 E73 L74 M77 L88 V91 V104	I54-L106 CarbonylContact C-O 3.59Å; I54-L106 WeakPolarHBondContact CA-O 3.21Å; K55-L106 HydrophobicContact CB-CB 4.39Å; K55-L106 PolarHBondContact N-O 2.86Å; K55-L106 PolarHBondContact O-N 2.89Å; L57-L106 HydrophobicContact CD2-CD1 3.96Å; L57-L106 HydrophobicContact CG-CD1 4.41Å; E73-L106 HydrophobicContact CG-CD1 4.42Å; L74-L106 HydrophobicContact CD1-CD2 3.94Å; M77-L106 HydrophobicContact SD-CD1 4.22Å; L88-L106 HydrophobicContact CD1-CB 4.04Å; L88-L106 HydrophobicContact CD1-CD2 4.03Å; V91-L106 HydrophobicContact CB-CD2 4.19Å; V91-L106 HydrophobicContact CG2-CD2 3.74Å; V104-L106 HydrophobicContact CG1-CD2 4.16Å
107	V	95.3	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.1	178.4	-172.8	0	0	0	0	108.9	Y26 V52 A53 I54 L89 N90 F92	Y26-V107 HydrophobicContact CE1-CG1 3.86Å; Y26-V107 HydrophobicContact CE1-CG2 4.37Å; Y26-V107 HydrophobicContact CE2-CG2 3.93Å; V52-V107 HydrophobicContact CB-CG1 3.84Å; V52-V107 HydrophobicContact CG1-CG1 4.19Å; V52-V107 HydrophobicContact CG2-CG1 3.96Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.37Å; I54-V107 HydrophobicContact CG1-CG1 4.35Å; I54-V107 HydrophobicContact CG1-CG2 4.28Å; I54-V107 HydrophobicContact CG2-CG2 4.42Å; L89-V107 HydrophobicContact CB-CG1 4.41Å; L89-V107 WeakPolarHBondContact CB-O 3.25Å; L89-V107 PolarHBondContact N-O 3.31Å; N90-V107 HydrophobicContact CB-CB 3.85Å; N90-V107 HydrophobicContact CB-CG2 4.04Å; N90-V107 PolarHBondContact N-O 2.95Å; N90-V107 WeakPolarHBondContact O-CB 3.36Å; N90-V107 PolarHBondContact O-N 3.2Å; F92-V107 HydrophobicContact CD1-CG2 4.11Å; F92-V107 HydrophobicContact CE1-CG2 3.63Å
108	M	94.3	Very high	93.1	Very high	18 Å²	18	44 Å²	44	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	171.9	-172.6	-62.6	168.4	-69.6	0	0	110	V52 A53 K55 M77 I86 L89	V52-M108 WeakPolarHBondContact CA-O 3.46Å; V52-M108 WeakPolarHBondContact CB-O 3.48Å; A53-M108 PolarHBondContact N-O 3.1Å; A53-M108 PolarHBondContact O-N 3.24Å; K55-M108 HydrophobicContact CB-CE 3.74Å; K55-M108 HydrophobicContact CD-CE 4.45Å; M77-M108 HydrophobicContact CE-CG 3.56Å; M77-M108 HydrophobicContact CE-SD 3.46Å; M77-M108 WeakPolarHBondContact CE-SD 3.39Å; I86-M108 HydrophobicContact CD1-CB 4.09Å; I86-M108 HydrophobicContact CG1-CB 3.9Å; I86-M108 HydrophobicContact CG1-CG 4.05Å; I86-M108 HydrophobicContact CG1-SD 3.91Å; L89-M108 VanDerWaalsContact CD1-C 3.44Å; L89-M108 WeakPolarHBondContact CD1-O 3.28Å
109	E	92.4	Very high	93	Very high	23 Å²	23	41.7 Å²	41.7	11%	0.107	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.5	171.7	-36.5	-159.1	84.4	0	0	110.3	R50 I86 L89 K166	R50-E109 IonicContact CZ-OE1 3.75Å; R50-E109 IonicContact NH1-OE1 3.71Å; R50-E109 VanDerWaalsContact NH2-CG 3.27Å; R50-E109 IonicContact NH2-OE1 3.73Å; R50-E109 PolarHBondContact NH2-OE1 3.21Å; I86-E109 HydrophobicContact CD1-CB 4.14Å; I86-E109 HydrophobicContact CD1-CG 4.34Å; L89-E109 HydrophobicContact CD1-CG 4.39Å; L89-E109 HydrophobicContact CD2-CG 4.23Å; L89-E109 HydrophobicContact CG-CG 4.41Å; E109-K166 WeakPolarHBondContact OE2-CE 3.18Å; E109-K166 IonicContact OE2-NZ 2.82Å; E109-K166 PolarHBondContact OE2-NZ 3.24Å
110	L	94.3	Very high	92.8	Very high	39 Å²	39	40.9 Å²	40.9	20%	0.204	21%	0.209	C	C	.	.			trans	-77.2	135.7	171.4	-171.5	64.7	0	0	0	109.6	I32 A42 N51 A53	I32-L110 HydrophobicContact CD1-CD1 3.62Å; A42-L110 HydrophobicContact CB-CD1 3.98Å; A42-L110 HydrophobicContact CB-CD2 3.96Å; N51-L110 HydrophobicContact CB-CB 4.18Å; N51-L110 HydrophobicContact CB-CD2 3.59Å; A53-L110 HydrophobicContact CB-CD1 4.02Å
111	M	94.4	Very high	92.7	Very high	22 Å²	22	40.7 Å²	40.7	11%	0.108	21%	0.209	C	C	.	.			trans	-119.9	156.3	176.5	-56.6	-66.8	-72.8	0	0	108.6	V158 K160 K166	M111-V158 HydrophobicContact CB-CB 3.74Å; M111-V158 HydrophobicContact CB-CG1 4.49Å; M111-V158 HydrophobicContact CB-CG2 3.96Å; M111-V158 HydrophobicContact CE-CG2 4.31Å; M111-V158 HydrophobicContact CG-CB 3.95Å; M111-V158 HydrophobicContact CG-CG2 3.56Å; M111-K160 HydrophobicContact CE-CD 4.41Å; M111-K160 HydrophobicContact CE-CG 3.75Å; M111-K160 HydrophobicContact SD-CD 4.2Å; M111-K160 VanDerWaalsContact SD-CE 3.59Å; M111-K160 HydrophobicContact SD-CG 3.86Å; M111-K166 HydrophobicContact CE-CB 4.21Å; M111-K166 HydrophobicContact CE-CD 4.08Å; M111-K166 HydrophobicContact CE-CG 4.22Å; M111-K166 HydrophobicContact SD-CD 3.97Å
112	D	91.4	Very high	92.4	Very high	98 Å²	98	49.1 Å²	49.1	52%	0.524	25%	0.249	S	C	.	.	S	Bend	trans	-80.4	-37.6	-168.7	-61.1	-25.7	0	0	0	112.1	V159 K160 S161	D112-V159 PolarHBondContact N-O 2.94Å; D112-K160 WeakPolarHBondContact OD2-CA 3.36Å; D112-S161 WeakPolarHBondContact OD2-CB 3.28Å; D112-S161 PolarHBondContact OD2-N 3.28Å; D112-S161 PolarHBondContact OD2-OG 3.03Å
113	A	89.9	Confident	92.5	Very high	24 Å²	24	44.1 Å²	44.1	20%	0.198	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.7	-173.6	0	0	0	0	0	111.8	Q117 V158 V159	A113-Q117 VanDerWaalsContact CA-OE1 3.31Å; A113-Q117 HydrophobicContact CB-CB 4.48Å; A113-V158 CarbonylContact O-C 3.54Å; A113-V158 VanDerWaalsContact O-CA 3.27Å; A113-V158 WeakPolarHBondContact O-CA 3.48Å; A113-V158 WeakPolarHBondContact O-CB 3.23Å; A113-V159 HydrophobicContact CB-CG2 4Å; A113-V159 PolarHBondContact N-O 3.44Å; A113-V159 VanDerWaalsContact N-O 3.13Å; A113-V159 PolarHBondContact O-N 3.11Å
114	N	90.6	Very high	92.6	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	164.7	162.3	66	51.6	0	0	0	110.7	C116 Q117 I157 V158	N114-C116 PolarHBondContact O-N 3.1Å; N114-C116 WeakPolarHBondContact OD1-CA 3.17Å; N114-C116 WeakPolarHBondContact OD1-CB 3.49Å; N114-C116 PolarHBondContact OD1-N 2.95Å; N114-Q117 PolarHBondContact O-N 3.35Å; N114-Q117 VanDerWaalsContact O-N 3.16Å; N114-Q117 PolarHBondContact OD1-N 3.42Å; N114-I157 CarbonylContact C-O 3.55Å; N114-I157 VanDerWaalsContact CA-O 3.31Å; N114-I157 WeakPolarHBondContact CA-O 3.39Å; N114-V158 HydrophobicContact CB-CG1 4.28Å
115	L	93.6	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-17	-175.6	-157.6	71.7	0	0	0	113.1	Q117 V118 I119 L131 M135 P154 I157 V159 L165 I214 M218	L115-Q117 VanDerWaalsContact C-N 3.25Å; L115-Q117 PolarHBondContact O-N 3.33Å; L115-V118 HydrophobicContact CD1-CB 4.07Å; L115-V118 HydrophobicContact CD1-CG1 4.2Å; L115-V118 HydrophobicContact CD1-CG2 4.31Å; L115-V118 PolarHBondContact O-N 2.85Å; L115-I119 WeakPolarHBondContact O-CB 3.34Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 2.83Å; L115-L131 HydrophobicContact CD1-CD1 4.46Å; L115-M135 HydrophobicContact CD2-SD 4.21Å; L115-P154 HydrophobicContact CB-CB 4Å; L115-P154 WeakPolarHBondContact CB-O 3.39Å; L115-P154 PolarHBondContact N-O 3.43Å; L115-I157 HydrophobicContact CB-CB 4.01Å; L115-I157 HydrophobicContact CB-CG2 4.11Å; L115-I157 HydrophobicContact CD1-CG2 4.32Å; L115-I157 HydrophobicContact CD2-CB 4.09Å; L115-I157 HydrophobicContact CD2-CD1 3.89Å; L115-I157 HydrophobicContact CD2-CG2 3.96Å; L115-I157 HydrophobicContact CG-CG2 4.39Å; L115-I157 PolarHBondContact N-O 3.06Å; L115-V159 HydrophobicContact CD1-CG1 3.96Å; L115-L165 HydrophobicContact CD1-CD1 4.38Å; L115-I214 HydrophobicContact CD2-CG2 3.5Å; L115-I214 VanDerWaalsContact CD2-CG2 3.5Å; L115-M218 HydrophobicContact CD1-CE 3.59Å; L115-M218 HydrophobicContact CD2-CE 3.54Å; L115-M218 HydrophobicContact CG-CE 3.66Å
116	C	91.6	Very high	92.7	Very high	53 Å²	53	51.6 Å²	51.6	36%	0.358	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-37.8	173.7	-52.8	0	0	0	0	111.4	N114 P154	N114-C116 PolarHBondContact O-N 3.1Å; N114-C116 WeakPolarHBondContact OD1-CA 3.17Å; N114-C116 WeakPolarHBondContact OD1-CB 3.49Å; N114-C116 PolarHBondContact OD1-N 2.95Å; C116-P154 HydrophobicContact CB-CB 4.48Å
117	Q	90.4	Very high	92.9	Very high	110 Å²	110	57.4 Å²	57.4	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-71.2	-41.7	178.3	-65.7	168.4	-60.1	0	0	110.6	A113 N114 L115 I119 Q120	A113-Q117 VanDerWaalsContact CA-OE1 3.31Å; A113-Q117 HydrophobicContact CB-CB 4.48Å; N114-Q117 PolarHBondContact O-N 3.35Å; N114-Q117 VanDerWaalsContact O-N 3.16Å; N114-Q117 PolarHBondContact OD1-N 3.42Å; L115-Q117 VanDerWaalsContact C-N 3.25Å; L115-Q117 PolarHBondContact O-N 3.33Å; Q117-I119 VanDerWaalsContact C-N 3.33Å; Q117-I119 PolarHBondContact O-N 2.98Å; Q117-Q120 PolarHBondContact O-N 2.75Å
118	V	92.4	Very high	93	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-38.9	178.1	-179.4	0	0	0	0	112	L115 Q120 M121 L123 L131 V159	L115-V118 HydrophobicContact CD1-CB 4.07Å; L115-V118 HydrophobicContact CD1-CG1 4.2Å; L115-V118 HydrophobicContact CD1-CG2 4.31Å; L115-V118 PolarHBondContact O-N 2.85Å; V118-Q120 PolarHBondContact O-N 3.2Å; V118-M121 WeakPolarHBondContact O-CB 3.08Å; V118-M121 PolarHBondContact O-N 2.66Å; V118-L123 HydrophobicContact CG1-CD1 3.93Å; V118-L123 HydrophobicContact CG1-CD2 4.16Å; V118-L131 HydrophobicContact CG1-CD1 3.92Å; V118-V159 HydrophobicContact CG2-CG1 4.41Å; V118-V159 HydrophobicContact CG2-CG2 3.41Å; V118-V159 VanDerWaalsContact CG2-CG2 3.41Å
119	I	91.4	Very high	93.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.5	177.2	-81.8	167.8	0	0	0	112.8	L115 Q117 M121 P154 E217 M218 H221	L115-I119 WeakPolarHBondContact O-CB 3.34Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 2.83Å; Q117-I119 VanDerWaalsContact C-N 3.33Å; Q117-I119 PolarHBondContact O-N 2.98Å; I119-M121 VanDerWaalsContact C-N 3.31Å; I119-P154 HydrophobicContact CD1-CB 3.71Å; I119-P154 HydrophobicContact CD1-CG 3.43Å; I119-P154 VanDerWaalsContact CD1-CG 3.43Å; I119-E217 HydrophobicContact CD1-CB 4.49Å; I119-E217 HydrophobicContact CD1-CG 4.07Å; I119-E217 HydrophobicContact CG2-CG 3.66Å; I119-M218 HydrophobicContact CD1-CG 4.49Å; I119-M218 HydrophobicContact CG1-CG 3.66Å; I119-H221 PolarHBondContact O-ND1 3.15Å
120	Q	89.9	Confident	93.4	Very high	129 Å²	129	58.6 Å²	58.6	60%	0.603	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.6	178.2	-59.6	-59.9	-40.5	0	0	112.9	Q117 V118	Q117-Q120 PolarHBondContact O-N 2.75Å; V118-Q120 PolarHBondContact O-N 3.2Å
121	M	91.4	Very high	93.7	Very high	111 Å²	111	56.9 Å²	56.9	55%	0.547	28%	0.278	S	S	.	.	S	Bend	trans	-90.3	149.9	177.9	-57.2	172.7	63.6	0	0	110.1	V118 I119 L123 H221	V118-M121 WeakPolarHBondContact O-CB 3.08Å; V118-M121 PolarHBondContact O-N 2.66Å; I119-M121 VanDerWaalsContact C-N 3.31Å; M121-L123 PolarHBondContact O-N 2.67Å; M121-H221 PolarHBondContact O-CE1 3.22Å; M121-H221 VanDerWaalsContact O-CE1 3.29Å
122	E	88.9	Confident	93.8	Very high	177 Å²	177	55.9 Å²	55.9	83%	0.827	27%	0.273	S	S	*	.			trans	-72.6	121.2	166.2	-67	-174.8	171.7	0	0	109.1
123	L	92.9	Very high	94.2	Very high	22 Å²	22	51.2 Å²	51.2	12%	0.115	25%	0.248	C	C	.	.			trans	-111.4	132.6	179.3	-61.9	175.5	0	0	0	109.9	V118 M121 R127 M128 L131	V118-L123 HydrophobicContact CG1-CD1 3.93Å; V118-L123 HydrophobicContact CG1-CD2 4.16Å; M121-L123 PolarHBondContact O-N 2.67Å; L123-R127 HydrophobicContact CD2-CB 4.36Å; L123-M128 HydrophobicContact CB-CB 4.4Å; L123-M128 HydrophobicContact CB-CE 4.41Å; L123-L131 HydrophobicContact CD1-CD1 4.24Å
124	D	95.2	Very high	94.6	Very high	56 Å²	56	50.2 Å²	50.2	30%	0.299	24%	0.239	S	C	.	.			trans	-69.2	167.3	164.3	55.1	48.5	0	0	0	111.3	E126 R127 M128	D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.04Å; D124-E126 PolarHBondContact OD1-N 3.38Å; D124-R127 VanDerWaalsContact OD1-CB 3.28Å; D124-R127 WeakPolarHBondContact OD1-CB 3.27Å; D124-R127 VanDerWaalsContact OD1-CG 3.26Å; D124-R127 WeakPolarHBondContact OD1-CG 3.44Å; D124-R127 PolarHBondContact OD1-N 3.23Å; D124-R127 WeakPolarHBondContact OD2-CD 3.3Å; D124-R127 IonicContact OD2-CZ 2.85Å; D124-R127 IonicContact OD2-NE 2.71Å; D124-R127 IonicContact OD2-NH1 3.14Å; D124-R127 PolarHBondContact OD2-NH1 3.4Å; D124-M128 WeakPolarHBondContact O-CB 3.25Å; D124-M128 PolarHBondContact O-N 3.17Å
125	H	96.4	Very high	95	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.032	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-32.8	179.8	-74.6	-62.7	0	0	0	113	S129 F280 P281 N287 K290 A291 Y320	H125-S129 WeakPolarHBondContact O-CB 3.43Å; H125-S129 PolarHBondContact O-N 2.87Å; H125-S129 PolarHBondContact O-OG 3.45Å; H125-F280 AromaticContact CE1-CD1 3.81Å; H125-P281 PolarHBondContact NE2-O 3.41Å; H125-N287 PolarHBondContact NE2-O 3.45Å; H125-K290 HydrophobicContact CB-CB 4Å; H125-K290 HydrophobicContact CB-CG 4.32Å; H125-K290 VanDerWaalsContact CD2-CB 3.45Å; H125-K290 WeakPolarHBondContact CD2-CB 3.26Å; H125-A291 PolarHBondContact CE1-N 3.45Å; H125-A291 PolarHBondContact NE2-N 3.5Å; H125-Y320 HydrophobicContact CB-CE2 4.23Å; H125-Y320 AromaticContact ND1-CE2 3.49Å; H125-Y320 WeakPolarHBondContact ND1-CE2 3.49Å; H125-Y320 AromaticContact ND1-CZ 3.63Å; H125-Y320 PolarHBondContact ND1-OH 3.16Å
126	E	96.6	Very high	95.2	Very high	128 Å²	128	47.7 Å²	47.7	60%	0.598	23%	0.226	S	C	*	.	H	α-helix	trans	-63.4	-55.8	179.5	163.1	158.6	-157	0	0	110.7	D124 M128 S129 Y130 W324	D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.04Å; D124-E126 PolarHBondContact OD1-N 3.38Å; E126-M128 PolarHBondContact O-N 2.89Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 2.93Å; E126-Y130 VanDerWaalsContact O-CB 3.27Å; E126-Y130 WeakPolarHBondContact O-CB 3.24Å; E126-Y130 PolarHBondContact O-N 3.36Å; E126-W324 HydrophobicContact CB-CZ2 4.37Å; E126-W324 HydrophobicContact CG-CH2 3.87Å; E126-W324 HydrophobicContact CG-CZ2 3.75Å
127	R	96.8	Very high	95.5	Very high	123 Å²	123	45.2 Å²	45.2	46%	0.464	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-44.3	177.8	-69.5	169	172	150.9	-7.3	111.9	L123 D124 Y130 L131	L123-R127 HydrophobicContact CD2-CB 4.36Å; D124-R127 VanDerWaalsContact OD1-CB 3.28Å; D124-R127 WeakPolarHBondContact OD1-CB 3.27Å; D124-R127 VanDerWaalsContact OD1-CG 3.26Å; D124-R127 WeakPolarHBondContact OD1-CG 3.44Å; D124-R127 PolarHBondContact OD1-N 3.23Å; D124-R127 WeakPolarHBondContact OD2-CD 3.3Å; D124-R127 IonicContact OD2-CZ 2.85Å; D124-R127 IonicContact OD2-NE 2.71Å; D124-R127 IonicContact OD2-NH1 3.14Å; D124-R127 PolarHBondContact OD2-NH1 3.4Å; R127-Y130 PolarHBondContact O-N 3.26Å; R127-L131 WeakPolarHBondContact O-CB 3.41Å; R127-L131 VanDerWaalsContact O-CG 3.25Å; R127-L131 WeakPolarHBondContact O-CG 3.3Å; R127-L131 PolarHBondContact O-N 3.08Å
128	M	97.6	Very high	95.8	Very high	6 Å²	6	40 Å²	40	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-48.5	179.5	-173.3	-172.9	-62.3	0	0	111.5	L123 D124 E126 Y130 L131 L132 M218 V219	L123-M128 HydrophobicContact CB-CB 4.4Å; L123-M128 HydrophobicContact CB-CE 4.41Å; D124-M128 WeakPolarHBondContact O-CB 3.25Å; D124-M128 PolarHBondContact O-N 3.17Å; E126-M128 PolarHBondContact O-N 2.89Å; M128-Y130 VanDerWaalsContact C-N 3.35Å; M128-Y130 PolarHBondContact O-N 3.34Å; M128-L131 PolarHBondContact O-N 3.05Å; M128-L132 HydrophobicContact CG-CD1 4.26Å; M128-L132 VanDerWaalsContact O-CG 3.28Å; M128-L132 WeakPolarHBondContact O-CG 3.4Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.09Å; M128-M218 HydrophobicContact CE-CB 4.36Å; M128-M218 HydrophobicContact CG-SD 4.25Å; M128-V219 HydrophobicContact CE-CG2 3.93Å; M128-V219 HydrophobicContact SD-CG2 3.93Å
129	S	98.3	Very high	96	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-35.9	178.8	59.3	0	0	0	0	112.4	H125 E126 L132 Y133 Y320 W324	H125-S129 WeakPolarHBondContact O-CB 3.43Å; H125-S129 PolarHBondContact O-N 2.87Å; H125-S129 PolarHBondContact O-OG 3.45Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 2.93Å; S129-L132 PolarHBondContact O-N 3.45Å; S129-Y133 WeakPolarHBondContact O-CB 3.42Å; S129-Y133 PolarHBondContact O-N 3.42Å; S129-Y320 WeakPolarHBondContact CB-O 3.5Å; S129-W324 PolarHBondContact OG-NE1 3.3Å
130	Y	98.4	Very high	96.2	Very high	56 Å²	56	41.6 Å²	41.6	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-39.3	177.5	-174.4	-127.1	0	0	0	112.6	E126 R127 M128 Y133 Q134 C163 W324	E126-Y130 VanDerWaalsContact O-CB 3.27Å; E126-Y130 WeakPolarHBondContact O-CB 3.24Å; E126-Y130 PolarHBondContact O-N 3.36Å; R127-Y130 PolarHBondContact O-N 3.26Å; M128-Y130 VanDerWaalsContact C-N 3.35Å; M128-Y130 PolarHBondContact O-N 3.34Å; Y130-Y133 HydrophobicContact CD2-CD1 4.04Å; Y130-Y133 HydrophobicContact CE2-CD1 4.1Å; Y130-Y133 HydrophobicContact CE2-CE1 4.46Å; Y130-Y133 PolarHBondContact O-N 2.89Å; Y130-Q134 VanDerWaalsContact CD1-NE2 3.27Å; Y130-Q134 HydrophobicContact CD2-CG 4.46Å; Y130-Q134 HydrophobicContact CE2-CG 4.13Å; Y130-Q134 WeakPolarHBondContact O-CB 3.48Å; Y130-Q134 VanDerWaalsContact O-CG 3.3Å; Y130-Q134 WeakPolarHBondContact O-CG 3.28Å; Y130-Q134 PolarHBondContact O-N 3.28Å; Y130-Q134 PolarHBondContact O-NE2 3.34Å; Y130-C163 HydrophobicContact CD1-CB 4.16Å; Y130-C163 HydrophobicContact CE1-CB 4.4Å; Y130-W324 HydrophobicContact CD2-CB 4.42Å; Y130-W324 AromaticContact CD2-CD2 3.7Å; Y130-W324 HydrophobicContact CD2-CD2 3.7Å; Y130-W324 AromaticContact CD2-CE3 3.84Å; Y130-W324 HydrophobicContact CD2-CE3 3.84Å; Y130-W324 AromaticContact CD2-CG 3.94Å; Y130-W324 HydrophobicContact CD2-CG 3.94Å; Y130-W324 HydrophobicContact CD2-CZ3 4.44Å; Y130-W324 HydrophobicContact CE2-CE3 4.35Å; Y130-W324 HydrophobicContact CG-CD2 4.33Å
131	L	98.5	Very high	96.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-43.6	172.6	-69.7	170.3	0	0	0	111.2	L115 V118 L123 R127 M128 Q134 M135 V159 L165 M218	L115-L131 HydrophobicContact CD1-CD1 4.46Å; V118-L131 HydrophobicContact CG1-CD1 3.92Å; L123-L131 HydrophobicContact CD1-CD1 4.24Å; R127-L131 WeakPolarHBondContact O-CB 3.41Å; R127-L131 VanDerWaalsContact O-CG 3.25Å; R127-L131 WeakPolarHBondContact O-CG 3.3Å; R127-L131 PolarHBondContact O-N 3.08Å; M128-L131 PolarHBondContact O-N 3.05Å; L131-Q134 PolarHBondContact O-N 3.4Å; L131-M135 VanDerWaalsContact O-CG 3.3Å; L131-M135 WeakPolarHBondContact O-CG 2.89Å; L131-M135 PolarHBondContact O-N 3.44Å; L131-V159 HydrophobicContact CD2-CG1 3.93Å; L131-L165 HydrophobicContact CB-CD1 4.24Å; L131-L165 HydrophobicContact CD2-CB 4.18Å; L131-L165 HydrophobicContact CD2-CD1 3.84Å; L131-M218 HydrophobicContact CD1-CE 4.44Å
132	L	98.6	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-42.2	177.1	-68.7	168.7	0	0	0	112.3	M128 S129 Q134 M135 L136 V211 M215 Y320 I321	M128-L132 HydrophobicContact CG-CD1 4.26Å; M128-L132 VanDerWaalsContact O-CG 3.28Å; M128-L132 WeakPolarHBondContact O-CG 3.4Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.09Å; S129-L132 PolarHBondContact O-N 3.45Å; L132-Q134 PolarHBondContact O-N 3.27Å; L132-M135 HydrophobicContact CD2-SD 4.48Å; L132-M135 WeakPolarHBondContact O-CB 3.45Å; L132-M135 PolarHBondContact O-N 3.37Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.47Å; L132-V211 HydrophobicContact CD2-CG1 3.77Å; L132-M215 HydrophobicContact CD1-CB 4.3Å; L132-M215 HydrophobicContact CD1-CE 3.96Å; L132-M215 HydrophobicContact CD1-CG 3.77Å; L132-M215 HydrophobicContact CD1-SD 3.56Å; L132-M215 VanDerWaalsContact CD1-SD 3.56Å; L132-M215 HydrophobicContact CD2-CB 3.89Å; L132-M215 HydrophobicContact CD2-CG 4.3Å; L132-Y320 HydrophobicContact CD1-CD1 4.48Å; L132-Y320 HydrophobicContact CD1-CE1 4.1Å; L132-I321 HydrophobicContact CB-CD1 3.66Å; L132-I321 HydrophobicContact CD1-CD1 4.23Å
133	Y	98.8	Very high	96.5	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-50	173.9	166.7	-106.7	0	0	0	111.3	S129 Y130 M135 L136 C137 L316 I321 W324 D326 E329 V330	S129-Y133 WeakPolarHBondContact O-CB 3.42Å; S129-Y133 PolarHBondContact O-N 3.42Å; Y130-Y133 HydrophobicContact CD2-CD1 4.04Å; Y130-Y133 HydrophobicContact CE2-CD1 4.1Å; Y130-Y133 HydrophobicContact CE2-CE1 4.46Å; Y130-Y133 PolarHBondContact O-N 2.89Å; Y133-M135 PolarHBondContact O-N 2.64Å; Y133-L136 PolarHBondContact O-N 3.48Å; Y133-C137 WeakPolarHBondContact CE2-SG 3.24Å; Y133-C137 PolarHBondContact O-N 3.25Å; Y133-C137 PolarHBondContact O-SG 2.89Å; Y133-L316 HydrophobicContact CD2-CD2 3.85Å; Y133-L316 HydrophobicContact CE2-CD2 4.07Å; Y133-I321 HydrophobicContact CD2-CG2 4Å; Y133-I321 HydrophobicContact CG-CG2 4.47Å; Y133-W324 HydrophobicContact CD1-CB 3.55Å; Y133-W324 HydrophobicContact CD1-CG 4.32Å; Y133-W324 HydrophobicContact CD2-CB 3.81Å; Y133-W324 HydrophobicContact CE1-CB 3.95Å; Y133-W324 WeakPolarHBondContact CE1-O 3.47Å; Y133-W324 HydrophobicContact CE2-CB 4.19Å; Y133-W324 WeakPolarHBondContact CE2-O 3.47Å; Y133-W324 HydrophobicContact CG-CB 3.48Å; Y133-W324 VanDerWaalsContact CG-CB 3.48Å; Y133-W324 HydrophobicContact CG-CG 4.23Å; Y133-W324 PolarHBondContact OH-O 2.89Å; Y133-D326 PolarHBondContact OH-N 3.06Å; Y133-E329 WeakPolarHBondContact CE1-OE2 3.41Å; Y133-E329 WeakPolarHBondContact OH-CB 3.5Å; Y133-E329 PolarHBondContact OH-OE2 3.01Å; Y133-V330 HydrophobicContact CE2-CG2 3.96Å
134	Q	98.6	Very high	96.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-39.4	178.3	-73.9	179	88	0	0	112.7	N84 Y130 L131 L132 C137 G138 C163 L165	N84-Q134 VanDerWaalsContact CB-O 3.28Å; N84-Q134 WeakPolarHBondContact CB-O 3.17Å; N84-Q134 WeakPolarHBondContact ND2-CB 3.47Å; N84-Q134 WeakPolarHBondContact ND2-CG 3.26Å; N84-Q134 PolarHBondContact ND2-OE1 3.5Å; N84-Q134 VanDerWaalsContact ND2-OE1 3.13Å; Y130-Q134 VanDerWaalsContact CD1-NE2 3.27Å; Y130-Q134 HydrophobicContact CD2-CG 4.46Å; Y130-Q134 HydrophobicContact CE2-CG 4.13Å; Y130-Q134 WeakPolarHBondContact O-CB 3.48Å; Y130-Q134 VanDerWaalsContact O-CG 3.3Å; Y130-Q134 WeakPolarHBondContact O-CG 3.28Å; Y130-Q134 PolarHBondContact O-N 3.28Å; Y130-Q134 PolarHBondContact O-NE2 3.34Å; L131-Q134 PolarHBondContact O-N 3.4Å; L132-Q134 PolarHBondContact O-N 3.27Å; Q134-C137 PolarHBondContact O-N 2.96Å; Q134-G138 PolarHBondContact O-N 2.86Å; Q134-C163 PolarHBondContact NE2-O 2.93Å; Q134-L165 HydrophobicContact CB-CB 4.01Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å
135	M	98.4	Very high	95.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-60.1	-47.2	172.6	-72.8	172.2	56.8	0	0	111	L115 L131 L132 Y133 C137 G138 I139 I157 L165 V211 I214	L115-M135 HydrophobicContact CD2-SD 4.21Å; L131-M135 VanDerWaalsContact O-CG 3.3Å; L131-M135 WeakPolarHBondContact O-CG 2.89Å; L131-M135 PolarHBondContact O-N 3.44Å; L132-M135 HydrophobicContact CD2-SD 4.48Å; L132-M135 WeakPolarHBondContact O-CB 3.45Å; L132-M135 PolarHBondContact O-N 3.37Å; Y133-M135 PolarHBondContact O-N 2.64Å; M135-C137 PolarHBondContact O-N 2.98Å; M135-G138 PolarHBondContact O-N 2.77Å; M135-I139 WeakPolarHBondContact O-CB 3.27Å; M135-I139 WeakPolarHBondContact O-CD1 3.19Å; M135-I139 WeakPolarHBondContact O-CG1 3.47Å; M135-I139 PolarHBondContact O-N 2.66Å; M135-I157 HydrophobicContact CE-CD1 3.59Å; M135-I157 HydrophobicContact CG-CD1 4.36Å; M135-I157 HydrophobicContact SD-CD1 3.99Å; M135-L165 HydrophobicContact CG-CD1 3.54Å; M135-L165 HydrophobicContact CG-CD2 3.68Å; M135-L165 HydrophobicContact CG-CG 4.3Å; M135-L165 HydrophobicContact SD-CD1 4.08Å; M135-V211 HydrophobicContact CE-CB 4.37Å; M135-V211 HydrophobicContact CE-CG1 4.17Å; M135-V211 HydrophobicContact CE-CG2 3.98Å; M135-I214 HydrophobicContact CE-CB 4.3Å; M135-I214 HydrophobicContact CE-CD1 3.63Å; M135-I214 HydrophobicContact CE-CG2 4.04Å; M135-I214 HydrophobicContact SD-CG2 4.34Å
136	L	98.6	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-38.9	179.4	-70	167.4	0	0	0	112.2	L132 Y133 I139 K140 I208 M301 V312 A315 L316 I321	L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.47Å; Y133-L136 PolarHBondContact O-N 3.48Å; L136-I139 PolarHBondContact O-N 2.89Å; L136-K140 WeakPolarHBondContact O-CB 3.25Å; L136-K140 PolarHBondContact O-N 3.22Å; L136-I208 HydrophobicContact CD2-CD1 3.52Å; L136-M301 HydrophobicContact CD1-CE 4.37Å; L136-M301 HydrophobicContact CD2-CE 4.36Å; L136-V312 HydrophobicContact CD2-CG1 4.31Å; L136-A315 HydrophobicContact CD1-CB 3.96Å; L136-A315 HydrophobicContact CD2-CB 4.01Å; L136-L316 HydrophobicContact CB-CD2 3.6Å; L136-L316 HydrophobicContact CB-CG 3.92Å; L136-L316 HydrophobicContact CD1-CD2 4.34Å; L136-L316 HydrophobicContact CD1-CG 4.47Å; L136-I321 HydrophobicContact CD1-CG1 4.23Å; L136-I321 HydrophobicContact CD1-CG2 4.02Å
137	C	98	Very high	94.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-47.4	174.3	-65.4	0	0	0	0	111.7	Y133 Q134 M135 I139 K140 H141	Y133-C137 WeakPolarHBondContact CE2-SG 3.24Å; Y133-C137 PolarHBondContact O-N 3.25Å; Y133-C137 PolarHBondContact O-SG 2.89Å; Q134-C137 PolarHBondContact O-N 2.96Å; M135-C137 PolarHBondContact O-N 2.98Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 2.91Å; C137-K140 PolarHBondContact O-N 2.96Å; C137-H141 PolarHBondContact O-N 3.19Å
138	G	96.2	Very high	94.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.3	-43.3	175.2	0	0	0	0	0	112.5	Q134 M135 H141 L142	Q134-G138 PolarHBondContact O-N 2.86Å; M135-G138 PolarHBondContact O-N 2.77Å; G138-H141 PolarHBondContact O-N 3.33Å; G138-L142 WeakPolarHBondContact O-CG 3.49Å; G138-L142 PolarHBondContact O-N 3.36Å; G138-L142 VanDerWaalsContact O-N 3.12Å
139	I	95.8	Very high	94	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-46.6	177.3	-69.1	164.5	0	0	0	111.2	M135 L136 C137 H141 L142 H143 L152 I167 D207 V211 V312	M135-I139 WeakPolarHBondContact O-CB 3.27Å; M135-I139 WeakPolarHBondContact O-CD1 3.19Å; M135-I139 WeakPolarHBondContact O-CG1 3.47Å; M135-I139 PolarHBondContact O-N 2.66Å; L136-I139 PolarHBondContact O-N 2.89Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 2.91Å; I139-H141 VanDerWaalsContact C-N 3.3Å; I139-H141 PolarHBondContact O-N 3.42Å; I139-L142 WeakPolarHBondContact O-CB 3.14Å; I139-L142 PolarHBondContact O-N 3.13Å; I139-L142 VanDerWaalsContact O-N 3.16Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-NE2 3.15Å; I139-H143 PolarHBondContact O-CD2 2.74Å; I139-H143 VanDerWaalsContact O-CG 3.3Å; I139-H143 PolarHBondContact O-N 2.86Å; I139-L152 HydrophobicContact CD1-CD1 3.44Å; I139-L152 VanDerWaalsContact CD1-CD1 3.44Å; I139-L152 HydrophobicContact CG1-CD1 3.78Å; I139-I167 HydrophobicContact CG1-CD1 4Å; I139-D207 HydrophobicContact CD1-CB 4.46Å; I139-D207 HydrophobicContact CG2-CB 4.01Å; I139-V211 HydrophobicContact CD1-CG2 3.35Å; I139-V312 HydrophobicContact CG2-CG2 3.87Å
140	K	95.8	Very high	93.4	Very high	47 Å²	47	11.5 Å²	11.5	20%	0.204	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-43.7	177.8	-176.1	176.9	167.4	67.2	0	111.4	L136 C137 L142 H143 S144 V312 D313 L316 V330	L136-K140 WeakPolarHBondContact O-CB 3.25Å; L136-K140 PolarHBondContact O-N 3.22Å; C137-K140 PolarHBondContact O-N 2.96Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.96Å; K140-H143 PolarHBondContact O-N 3.4Å; K140-S144 WeakPolarHBondContact O-CB 3.42Å; K140-S144 PolarHBondContact O-N 3.46Å; K140-V312 HydrophobicContact CB-CG1 3.82Å; K140-D313 IonicContact NZ-OD1 3.06Å; K140-D313 PolarHBondContact NZ-OD1 2.9Å; K140-D313 IonicContact NZ-OD2 3.37Å; K140-L316 HydrophobicContact CB-CD1 4.47Å; K140-L316 HydrophobicContact CD-CD1 3.7Å; K140-V330 HydrophobicContact CD-CG1 3.62Å; K140-V330 VanDerWaalsContact CD-O 3.27Å; K140-V330 WeakPolarHBondContact CD-O 3.4Å; K140-V330 WeakPolarHBondContact CE-O 3.33Å
141	H	93.6	Very high	92.7	Very high	5 Å²	5	9.1 Å²	9.1	2%	0.023	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-40.4	177.9	-171.7	87.6	0	0	0	111.8	H82 I85 C137 G138 I139 S144 P333 P335	H82-H141 HydrophobicContact CB-CB 4.23Å; H82-H141 AromaticContact CD2-CG 3.89Å; H82-H141 AromaticContact CD2-ND1 3.77Å; H82-H141 AromaticContact CG-CG 3.81Å; I85-H141 HydrophobicContact CD1-CB 4.26Å; C137-H141 PolarHBondContact O-N 3.19Å; G138-H141 PolarHBondContact O-N 3.33Å; I139-H141 VanDerWaalsContact C-N 3.3Å; I139-H141 PolarHBondContact O-N 3.42Å; H141-S144 PolarHBondContact O-N 3.04Å; H141-S144 PolarHBondContact O-OG 3.09Å; H141-P333 PolarHBondContact CE1-O 2.81Å; H141-P335 WeakPolarHBondContact NE2-CD 3.44Å
142	L	90.9	Very high	92.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-47.3	172.4	-66.8	170.2	0	0	0	112.1	V80 I85 G138 I139 K140 S144 A145 G146 I147 H149 F170	V80-L142 HydrophobicContact CG1-CD2 4.37Å; V80-L142 HydrophobicContact CG2-CD2 4.17Å; I85-L142 HydrophobicContact CD1-CD1 4.44Å; I85-L142 HydrophobicContact CD1-CD2 3.75Å; I85-L142 HydrophobicContact CD1-CG 3.71Å; G138-L142 WeakPolarHBondContact O-CG 3.49Å; G138-L142 PolarHBondContact O-N 3.36Å; G138-L142 VanDerWaalsContact O-N 3.12Å; I139-L142 WeakPolarHBondContact O-CB 3.14Å; I139-L142 PolarHBondContact O-N 3.13Å; I139-L142 VanDerWaalsContact O-N 3.16Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.96Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.83Å; L142-A145 PolarHBondContact O-N 2.9Å; L142-G146 PolarHBondContact O-N 3.19Å; L142-I147 CarbonylContact C-O 3.6Å; L142-I147 VanDerWaalsContact C-O 3.23Å; L142-I147 HydrophobicContact CB-CB 4.3Å; L142-I147 WeakPolarHBondContact CB-O 3.33Å; L142-I147 HydrophobicContact CD2-CD1 4.36Å; L142-I147 HydrophobicContact CD2-CG2 4.3Å; L142-I147 WeakPolarHBondContact O-CB 3.48Å; L142-I147 PolarHBondContact O-N 3.37Å; L142-H149 HydrophobicContact CD1-CB 4.44Å; L142-F170 HydrophobicContact CD1-CD1 4.36Å; L142-F170 HydrophobicContact CD1-CE1 3.76Å; L142-F170 HydrophobicContact CD2-CD1 4.05Å; L142-F170 HydrophobicContact CD2-CE1 3.58Å; L142-F170 HydrophobicContact CD2-CZ 4.24Å; L142-F170 HydrophobicContact CG-CE1 4.29Å
143	H	91.9	Very high	92.1	Very high	27 Å²	27	9.9 Å²	9.9	13%	0.125	6%	0.058	C	C	.	.	H	α-helix	trans	-62	-35.2	-179.7	-67.9	177.7	0	0	0	111.9	I139 K140 A145 G146 I147 E204 D207	I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-NE2 3.15Å; I139-H143 PolarHBondContact O-CD2 2.74Å; I139-H143 VanDerWaalsContact O-CG 3.3Å; I139-H143 PolarHBondContact O-N 2.86Å; K140-H143 PolarHBondContact O-N 3.4Å; H143-A145 PolarHBondContact O-N 3.46Å; H143-G146 WeakPolarHBondContact O-CA 3.39Å; H143-G146 PolarHBondContact O-N 3.19Å; H143-I147 PolarHBondContact CD2-O 2.9Å; H143-I147 VanDerWaalsContact CD2-O 3.32Å; H143-I147 PolarHBondContact N-O 2.83Å; H143-E204 HydrophobicContact CB-CG 4.23Å; H143-E204 PolarHBondContact CE1-O 3.16Å; H143-E204 WeakPolarHBondContact ND1-CB 3.48Å; H143-E204 PolarHBondContact NE2-O 2.88Å; H143-D207 IonicContact CD2-OD2 2.56Å; H143-D207 IonicContact CE1-OD2 3.72Å; H143-D207 IonicContact NE2-OD2 2.91Å; H143-D207 PolarHBondContact NE2-OD2 3.38Å
144	S	90.3	Very high	91.8	Very high	63 Å²	63	10 Å²	10	44%	0.441	6%	0.058	S	C	.	.	H	α-helix	trans	-62.5	-25.1	175.4	79.7	0	0	0	0	113.6	K140 H141 L142 P334	K140-S144 WeakPolarHBondContact O-CB 3.42Å; K140-S144 PolarHBondContact O-N 3.46Å; H141-S144 PolarHBondContact O-N 3.04Å; H141-S144 PolarHBondContact O-OG 3.09Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.83Å; S144-P334 WeakPolarHBondContact OG-CB 3.18Å
145	A	84.1	Confident	91.4	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.1	172.3	0	0	0	0	0	113.7	L142 H143 I147 P335	L142-A145 PolarHBondContact O-N 2.9Å; H143-A145 PolarHBondContact O-N 3.46Å; A145-I147 VanDerWaalsContact C-N 3.29Å; A145-I147 HydrophobicContact CB-CD1 3.79Å; A145-I147 HydrophobicContact CB-CG1 4.27Å; A145-I147 PolarHBondContact O-N 3.03Å; A145-P335 HydrophobicContact CB-CG 3.44Å; A145-P335 VanDerWaalsContact CB-CG 3.44Å
146	G	84.8	Confident	91	Very high	17 Å²	17	13 Å²	13	18%	0.175	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	14.3	-177.2	0	0	0	0	0	114.3	L142 H143 T175 A176	L142-G146 PolarHBondContact O-N 3.19Å; H143-G146 WeakPolarHBondContact O-CA 3.39Å; H143-G146 PolarHBondContact O-N 3.19Å; G146-T175 VanDerWaalsContact O-CA 3.27Å; G146-T175 WeakPolarHBondContact O-CA 3.49Å; G146-A176 PolarHBondContact O-N 3.46Å
147	I	85.9	Confident	90.8	Very high	2 Å²	2	13 Å²	13	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.3	-178.5	-57.5	154.5	0	0	0	109.2	L76 V80 L142 H143 A145 A173 Y338	L76-I147 HydrophobicContact CD2-CD1 3.47Å; L76-I147 VanDerWaalsContact CD2-CD1 3.47Å; L76-I147 HydrophobicContact CD2-CG1 3.85Å; V80-I147 HydrophobicContact CG2-CD1 4.1Å; L142-I147 CarbonylContact C-O 3.6Å; L142-I147 VanDerWaalsContact C-O 3.23Å; L142-I147 HydrophobicContact CB-CB 4.3Å; L142-I147 WeakPolarHBondContact CB-O 3.33Å; L142-I147 HydrophobicContact CD2-CD1 4.36Å; L142-I147 HydrophobicContact CD2-CG2 4.3Å; L142-I147 WeakPolarHBondContact O-CB 3.48Å; L142-I147 PolarHBondContact O-N 3.37Å; H143-I147 PolarHBondContact CD2-O 2.9Å; H143-I147 VanDerWaalsContact CD2-O 3.32Å; H143-I147 PolarHBondContact N-O 2.83Å; A145-I147 VanDerWaalsContact C-N 3.29Å; A145-I147 HydrophobicContact CB-CD1 3.79Å; A145-I147 HydrophobicContact CB-CG1 4.27Å; A145-I147 PolarHBondContact O-N 3.03Å; I147-A173 HydrophobicContact CG2-CB 3.68Å; I147-Y338 HydrophobicContact CG1-CG 4.39Å
148	I	89.3	Confident	90.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.4	173.3	-56.1	179	0	0	0	108.8	R150 A173 R174 A176 Y202 E204 V206 D207	I148-R150 HydrophobicContact CB-CG 4.3Å; I148-R150 HydrophobicContact CG2-CG 3.68Å; I148-A173 CarbonylContact O-C 3.18Å; I148-A173 WeakPolarHBondContact O-CA 3.45Å; I148-A173 WeakPolarHBondContact O-CB 3.38Å; I148-R174 PolarHBondContact N-O 3.49Å; I148-R174 PolarHBondContact O-N 2.84Å; I148-A176 HydrophobicContact CD1-CB 3.75Å; I148-A176 HydrophobicContact CG1-CB 4.22Å; I148-Y202 HydrophobicContact CD1-CD2 4.2Å; I148-Y202 HydrophobicContact CD1-CE2 4.19Å; I148-E204 HydrophobicContact CD1-CG 4.42Å; I148-E204 HydrophobicContact CG1-CG 4.43Å; I148-V206 HydrophobicContact CG2-CG1 3.25Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.07Å
149	H	88.9	Confident	90.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.			trans	-72.6	-49.2	-169.6	-170.7	-73.4	0	0	0	113.7	L142 D151 L152 L168 D169 L172 A173 D207	L142-H149 HydrophobicContact CD1-CB 4.44Å; H149-D151 VanDerWaalsContact CE1-C 3.45Å; H149-D151 PolarHBondContact CE1-O 2.95Å; H149-D151 VanDerWaalsContact ND1-C 3.32Å; H149-D151 PolarHBondContact ND1-N 2.97Å; H149-D151 PolarHBondContact O-N 2.89Å; H149-L152 HydrophobicContact CB-CD1 4.48Å; H149-L152 HydrophobicContact CB-CD2 4.38Å; H149-L152 HydrophobicContact CB-CG 3.99Å; H149-L152 PolarHBondContact ND1-N 3.39Å; H149-L152 VanDerWaalsContact ND1-N 3.13Å; H149-L168 PolarHBondContact NE2-O 3.12Å; H149-L168 VanDerWaalsContact NE2-O 3.12Å; H149-D169 PolarHBondContact NE2-O 3.28Å; H149-L172 CarbonylContact O-C 3.59Å; H149-A173 VanDerWaalsContact O-CA 3.28Å; H149-A173 WeakPolarHBondContact O-CA 3.35Å; H149-A173 PolarHBondContact O-N 3.45Å; H149-D207 PolarHBondContact N-OD2 2.94Å
150	R	85.3	Confident	90.6	Very high	9 Å²	9	17.8 Å²	17.8	3%	0.034	10%	0.101	C	C	.	.			trans	64.5	-15	175.4	-48.2	-176.8	-50.9	155.3	12.7	118.1	I148 L172 M182 Y202 V206 D207	I148-R150 HydrophobicContact CB-CG 4.3Å; I148-R150 HydrophobicContact CG2-CG 3.68Å; R150-L172 PolarHBondContact NE-O 3.42Å; R150-L172 PolarHBondContact NH2-O 3.32Å; R150-M182 HydrophobicContact CB-CE 4.39Å; R150-Y202 HydrophobicContact CG-CE2 4.23Å; R150-Y202 PolarHBondContact NH1-OH 2.92Å; R150-V206 HydrophobicContact CG-CG1 4.27Å; R150-D207 PolarHBondContact N-OD1 3.37Å
151	D	84.5	Confident	90.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.032	13%	0.128	C	C	.	.			trans	-125.4	36.7	176	-155	62.5	0	0	0	111.9	H149 K153 L172 R192	H149-D151 VanDerWaalsContact CE1-C 3.45Å; H149-D151 PolarHBondContact CE1-O 2.95Å; H149-D151 VanDerWaalsContact ND1-C 3.32Å; H149-D151 PolarHBondContact ND1-N 2.97Å; H149-D151 PolarHBondContact O-N 2.89Å; D151-K153 PolarHBondContact O-N 2.75Å; D151-K153 IonicContact OD2-NZ 3.71Å; D151-K153 PolarHBondContact OD2-NZ 2.8Å; D151-L172 HydrophobicContact CB-CB 4.03Å; D151-L172 HydrophobicContact CB-CD1 3.69Å; D151-L172 HydrophobicContact CB-CG 4.44Å; D151-R192 IonicContact OD1-CZ 3.5Å; D151-R192 IonicContact OD1-NE 3.43Å; D151-R192 PolarHBondContact OD1-NE 2.81Å; D151-R192 IonicContact OD1-NH2 2.9Å; D151-R192 PolarHBondContact OD1-NH2 2.86Å
152	L	92	Very high	90.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	15%	0.152	C	C	.	.			trans	-66.2	128.1	173.5	-78.1	175.6	0	0	0	109.6	I139 H149 I167 Y191 D207 V211	I139-L152 HydrophobicContact CD1-CD1 3.44Å; I139-L152 VanDerWaalsContact CD1-CD1 3.44Å; I139-L152 HydrophobicContact CG1-CD1 3.78Å; H149-L152 HydrophobicContact CB-CD1 4.48Å; H149-L152 HydrophobicContact CB-CD2 4.38Å; H149-L152 HydrophobicContact CB-CG 3.99Å; H149-L152 PolarHBondContact ND1-N 3.39Å; H149-L152 VanDerWaalsContact ND1-N 3.13Å; L152-I167 HydrophobicContact CD2-CD1 4.38Å; L152-I167 HydrophobicContact CD2-CG2 3.79Å; L152-Y191 WeakPolarHBondContact O-CB 3.3Å; L152-D207 HydrophobicContact CD1-CB 3.83Å; L152-V211 HydrophobicContact CD1-CG2 4.47Å
153	K	91.6	Very high	90.5	Very high	17 Å²	17	26.8 Å²	26.8	7%	0.074	16%	0.163	C	C	.	.			trans	-159.5	159.6	179.5	62.4	-168.8	178.5	-147.2	0	109.5	D151 S155 N156 Y191	D151-K153 PolarHBondContact O-N 2.75Å; D151-K153 IonicContact OD2-NZ 3.71Å; D151-K153 PolarHBondContact OD2-NZ 2.8Å; K153-S155 WeakPolarHBondContact CE-OG 3.4Å; K153-S155 PolarHBondContact O-N 3.25Å; K153-S155 VanDerWaalsContact O-N 3.13Å; K153-N156 VanDerWaalsContact CE-OD1 3.23Å; K153-N156 WeakPolarHBondContact CE-OD1 3.35Å; K153-N156 HydrophobicContact CG-CB 4.1Å; K153-N156 PolarHBondContact O-N 2.97Å; K153-Y191 HydrophobicContact CB-CD2 3.41Å; K153-Y191 VanDerWaalsContact CB-CD2 3.41Å; K153-Y191 HydrophobicContact CB-CE2 3.83Å; K153-Y191 HydrophobicContact CB-CG 3.99Å
154	P	93.8	Very high	90.7	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.019	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.9	-33.8	-176.1	-29.6	37.6	0	0	0	114.8	L115 C116 I119 N156 I157 Y191 I214	L115-P154 HydrophobicContact CB-CB 4Å; L115-P154 WeakPolarHBondContact CB-O 3.39Å; L115-P154 PolarHBondContact N-O 3.43Å; C116-P154 HydrophobicContact CB-CB 4.48Å; I119-P154 HydrophobicContact CD1-CB 3.71Å; I119-P154 HydrophobicContact CD1-CG 3.43Å; I119-P154 VanDerWaalsContact CD1-CG 3.43Å; P154-N156 VanDerWaalsContact C-N 3.25Å; P154-N156 PolarHBondContact O-N 2.8Å; P154-I157 PolarHBondContact O-N 3.48Å; P154-Y191 VanDerWaalsContact CD-CE1 3.45Å; P154-Y191 VanDerWaalsContact CD-CE2 3.47Å; P154-Y191 WeakPolarHBondContact CD-OH 3.38Å; P154-Y191 HydrophobicContact CG-CE1 3.83Å; P154-Y191 HydrophobicContact CG-CE2 4.4Å; P154-Y191 WeakPolarHBondContact CG-OH 3.34Å; P154-I214 HydrophobicContact CG-CG1 4.09Å
155	S	89	Confident	91.1	Very high	53 Å²	53	24.5 Å²	24.5	37%	0.371	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-70.1	-19.5	178	70.4	0	0	0	0	114.3	K153 I157	K153-S155 WeakPolarHBondContact CE-OG 3.4Å; K153-S155 PolarHBondContact O-N 3.25Å; K153-S155 VanDerWaalsContact O-N 3.13Å; S155-I157 VanDerWaalsContact C-N 3.34Å
156	N	91.3	Very high	91.6	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.07	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-99	13.1	178.4	-72.6	16.2	0	0	0	111.4	K153 P154 L168 D169	K153-N156 VanDerWaalsContact CE-OD1 3.23Å; K153-N156 WeakPolarHBondContact CE-OD1 3.35Å; K153-N156 HydrophobicContact CG-CB 4.1Å; K153-N156 PolarHBondContact O-N 2.97Å; P154-N156 VanDerWaalsContact C-N 3.25Å; P154-N156 PolarHBondContact O-N 2.8Å; N156-L168 WeakPolarHBondContact O-CB 3.16Å; N156-L168 PolarHBondContact O-N 3.38Å; N156-D169 PolarHBondContact ND2-OD2 2.89Å
157	I	94.4	Very high	92.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.1	176.8	-62.8	168.5	0	0	0	106.8	N114 L115 M135 P154 S155 L165 I214	N114-I157 CarbonylContact C-O 3.55Å; N114-I157 VanDerWaalsContact CA-O 3.31Å; N114-I157 WeakPolarHBondContact CA-O 3.39Å; L115-I157 HydrophobicContact CB-CB 4.01Å; L115-I157 HydrophobicContact CB-CG2 4.11Å; L115-I157 HydrophobicContact CD1-CG2 4.32Å; L115-I157 HydrophobicContact CD2-CB 4.09Å; L115-I157 HydrophobicContact CD2-CD1 3.89Å; L115-I157 HydrophobicContact CD2-CG2 3.96Å; L115-I157 HydrophobicContact CG-CG2 4.39Å; L115-I157 PolarHBondContact N-O 3.06Å; M135-I157 HydrophobicContact CE-CD1 3.59Å; M135-I157 HydrophobicContact CG-CD1 4.36Å; M135-I157 HydrophobicContact SD-CD1 3.99Å; P154-I157 PolarHBondContact O-N 3.48Å; S155-I157 VanDerWaalsContact C-N 3.34Å; I157-L165 HydrophobicContact CG2-CD1 3.47Å; I157-L165 VanDerWaalsContact CG2-CD1 3.47Å; I157-L165 HydrophobicContact CG2-CD2 3.79Å; I157-L165 HydrophobicContact CG2-CG 3.52Å; I157-I214 HydrophobicContact CD1-CD1 3.7Å
158	V	94.7	Very high	92.2	Very high	18 Å²	18	26.2 Å²	26.2	11%	0.109	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148	-178.5	-73.7	0	0	0	0	110.6	M111 A113 N114 L165 K166 L168	M111-V158 HydrophobicContact CB-CB 3.74Å; M111-V158 HydrophobicContact CB-CG1 4.49Å; M111-V158 HydrophobicContact CB-CG2 3.96Å; M111-V158 HydrophobicContact CE-CG2 4.31Å; M111-V158 HydrophobicContact CG-CB 3.95Å; M111-V158 HydrophobicContact CG-CG2 3.56Å; A113-V158 CarbonylContact O-C 3.54Å; A113-V158 VanDerWaalsContact O-CA 3.27Å; A113-V158 WeakPolarHBondContact O-CA 3.48Å; A113-V158 WeakPolarHBondContact O-CB 3.23Å; N114-V158 HydrophobicContact CB-CG1 4.28Å; V158-L165 CarbonylContact O-C 3.54Å; V158-L165 WeakPolarHBondContact O-CA 2.95Å; V158-K166 HydrophobicContact CG2-CB 4.13Å; V158-K166 WeakPolarHBondContact CG2-O 3.47Å; V158-K166 PolarHBondContact N-O 3.17Å; V158-K166 PolarHBondContact O-N 3.16Å; V158-L168 HydrophobicContact CB-CD1 4.46Å; V158-L168 HydrophobicContact CG1-CD1 3.53Å; V158-L168 HydrophobicContact CG1-CG 4.14Å; V158-L168 HydrophobicContact CG2-CD1 4.12Å; V158-L168 HydrophobicContact CG2-CD2 3.7Å; V158-L168 HydrophobicContact CG2-CG 3.82Å
159	V	96.1	Very high	91.5	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.5	-176.9	-58.6	0	0	0	0	111.3	D112 A113 L115 V118 L131 T164 L165	D112-V159 PolarHBondContact N-O 2.94Å; A113-V159 HydrophobicContact CB-CG2 4Å; A113-V159 PolarHBondContact N-O 3.44Å; A113-V159 VanDerWaalsContact N-O 3.13Å; A113-V159 PolarHBondContact O-N 3.11Å; L115-V159 HydrophobicContact CD1-CG1 3.96Å; V118-V159 HydrophobicContact CG2-CG1 4.41Å; V118-V159 HydrophobicContact CG2-CG2 3.41Å; V118-V159 VanDerWaalsContact CG2-CG2 3.41Å; L131-V159 HydrophobicContact CD2-CG1 3.93Å; V159-T164 CarbonylContact C-O 3.23Å; V159-T164 WeakPolarHBondContact CA-O 3.46Å; V159-L165 HydrophobicContact CG1-CB 4.24Å; V159-L165 HydrophobicContact CG1-CD1 4.2Å; V159-L165 HydrophobicContact CG1-CG 4.26Å
160	K	94.4	Very high	90.5	Very high	76 Å²	76	26.9 Å²	26.9	33%	0.33	16%	0.155	S	C	.	.			trans	-107.8	167.5	163.4	-72.2	-178.4	179	-175.1	0	111.1	M111 D112 D162 C163 T164	M111-K160 HydrophobicContact CE-CD 4.41Å; M111-K160 HydrophobicContact CE-CG 3.75Å; M111-K160 HydrophobicContact SD-CD 4.2Å; M111-K160 VanDerWaalsContact SD-CE 3.59Å; M111-K160 HydrophobicContact SD-CG 3.86Å; D112-K160 WeakPolarHBondContact OD2-CA 3.36Å; K160-D162 WeakPolarHBondContact CB-OD1 3.48Å; K160-D162 PolarHBondContact O-N 2.8Å; K160-C163 PolarHBondContact O-N 2.69Å; K160-T164 WeakPolarHBondContact CB-OG1 2.97Å; K160-T164 PolarHBondContact N-O 2.9Å
161	S	91.5	Very high	89.1	Confident	110 Å²	110	26.5 Å²	26.5	77%	0.769	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.6	174.8	43.6	0	0	0	0	114.1	D112 C163	D112-S161 WeakPolarHBondContact OD2-CB 3.28Å; D112-S161 PolarHBondContact OD2-N 3.28Å; D112-S161 PolarHBondContact OD2-OG 3.03Å; S161-C163 PolarHBondContact O-N 3.45Å
162	D	92.8	Very high	87.9	Confident	97 Å²	97	27.8 Å²	27.8	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	13.8	173	67.7	-2.5	0	0	0	113.7	K160 T164	K160-D162 WeakPolarHBondContact CB-OD1 3.48Å; K160-D162 PolarHBondContact O-N 2.8Å; D162-T164 PolarHBondContact O-N 3.34Å; D162-T164 VanDerWaalsContact OD1-CB 3.3Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 VanDerWaalsContact OD1-CG2 3.25Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.35Å; D162-T164 PolarHBondContact OD1-N 3.47Å; D162-T164 PolarHBondContact OD1-OG1 3.41Å
163	C	93.8	Very high	86.2	Confident	34 Å²	34	27.7 Å²	27.7	23%	0.23	16%	0.161	C	C	.	.			trans	61.4	16.2	-175.6	-64.7	0	0	0	0	115.1	Y130 Q134 K160 S161	Y130-C163 HydrophobicContact CD1-CB 4.16Å; Y130-C163 HydrophobicContact CE1-CB 4.4Å; Q134-C163 PolarHBondContact NE2-O 2.93Å; K160-C163 PolarHBondContact O-N 2.69Å; S161-C163 PolarHBondContact O-N 3.45Å
164	T	96.2	Very high	84.7	Confident	41 Å²	41	29.6 Å²	29.6	25%	0.252	17%	0.167	S	C	.	.			trans	-72.4	139.9	169.6	59.2	0	0	0	0	111.1	V159 K160 D162	V159-T164 CarbonylContact C-O 3.23Å; V159-T164 WeakPolarHBondContact CA-O 3.46Å; K160-T164 WeakPolarHBondContact CB-OG1 2.97Å; K160-T164 PolarHBondContact N-O 2.9Å; D162-T164 PolarHBondContact O-N 3.34Å; D162-T164 VanDerWaalsContact OD1-CB 3.3Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 VanDerWaalsContact OD1-CG2 3.25Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.35Å; D162-T164 PolarHBondContact OD1-N 3.47Å; D162-T164 PolarHBondContact OD1-OG1 3.41Å
165	L	97.7	Very high	82.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138	-174.5	-179.8	152.3	0	0	0	111.6	N84 L115 L131 Q134 M135 I157 V158 V159 I167	N84-L165 VanDerWaalsContact CA-O 3.26Å; N84-L165 WeakPolarHBondContact CA-O 3.4Å; N84-L165 PolarHBondContact ND2-O 2.94Å; L115-L165 HydrophobicContact CD1-CD1 4.38Å; L131-L165 HydrophobicContact CB-CD1 4.24Å; L131-L165 HydrophobicContact CD2-CB 4.18Å; L131-L165 HydrophobicContact CD2-CD1 3.84Å; Q134-L165 HydrophobicContact CB-CB 4.01Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å; M135-L165 HydrophobicContact CG-CD1 3.54Å; M135-L165 HydrophobicContact CG-CD2 3.68Å; M135-L165 HydrophobicContact CG-CG 4.3Å; M135-L165 HydrophobicContact SD-CD1 4.08Å; I157-L165 HydrophobicContact CG2-CD1 3.47Å; I157-L165 VanDerWaalsContact CG2-CD1 3.47Å; I157-L165 HydrophobicContact CG2-CD2 3.79Å; I157-L165 HydrophobicContact CG2-CG 3.52Å; V158-L165 CarbonylContact O-C 3.54Å; V158-L165 WeakPolarHBondContact O-CA 2.95Å; V159-L165 HydrophobicContact CG1-CB 4.24Å; V159-L165 HydrophobicContact CG1-CD1 4.2Å; V159-L165 HydrophobicContact CG1-CG 4.26Å; L165-I167 HydrophobicContact CD2-CG1 4.3Å
166	K	96.5	Very high	80.4	Confident	21 Å²	21	28.1 Å²	28.1	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.7	171.9	-74.2	171.1	-179.7	-94.1	0	112	K83 N84 I85 I86 E109 M111 V158	K83-K166 WeakPolarHBondContact O-CE 3.45Å; K83-K166 VanDerWaalsContact O-CG 3.23Å; K83-K166 WeakPolarHBondContact O-CG 3.48Å; K83-K166 PolarHBondContact O-NZ 3.2Å; N84-K166 WeakPolarHBondContact O-CA 3.15Å; I85-K166 PolarHBondContact O-NZ 3.49Å; I86-K166 HydrophobicContact CD1-CD 4.2Å; E109-K166 WeakPolarHBondContact OE2-CE 3.18Å; E109-K166 IonicContact OE2-NZ 2.82Å; E109-K166 PolarHBondContact OE2-NZ 3.24Å; M111-K166 HydrophobicContact CE-CB 4.21Å; M111-K166 HydrophobicContact CE-CD 4.08Å; M111-K166 HydrophobicContact CE-CG 4.22Å; M111-K166 HydrophobicContact SD-CD 3.97Å; V158-K166 HydrophobicContact CG2-CB 4.13Å; V158-K166 WeakPolarHBondContact CG2-O 3.47Å; V158-K166 PolarHBondContact N-O 3.17Å; V158-K166 PolarHBondContact O-N 3.16Å
167	I	95.1	Very high	77.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.7	173.6	-58.7	171.6	0	0	0	109.8	N84 I86 I139 L152 L165	N84-I167 PolarHBondContact O-N 2.92Å; I86-I167 WeakPolarHBondContact CG2-O 3.3Å; I86-I167 PolarHBondContact N-O 3.34Å; I139-I167 HydrophobicContact CG1-CD1 4Å; L152-I167 HydrophobicContact CD2-CD1 4.38Å; L152-I167 HydrophobicContact CD2-CG2 3.79Å; L165-I167 HydrophobicContact CD2-CG1 4.3Å
168	L	88	Confident	75	Confident	40 Å²	40	32.3 Å²	32.3	21%	0.209	20%	0.198	C	C	.	.			trans	-108.9	168.5	177	-56.3	-177.3	0	0	0	112.5	I86 H149 N156 V158	I86-L168 HydrophobicContact CB-CD2 3.62Å; I86-L168 HydrophobicContact CD1-CD2 4.26Å; I86-L168 HydrophobicContact CG1-CD2 3.76Å; I86-L168 HydrophobicContact CG2-CD2 3.71Å; H149-L168 PolarHBondContact NE2-O 3.12Å; H149-L168 VanDerWaalsContact NE2-O 3.12Å; N156-L168 WeakPolarHBondContact O-CB 3.16Å; N156-L168 PolarHBondContact O-N 3.38Å; V158-L168 HydrophobicContact CB-CD1 4.46Å; V158-L168 HydrophobicContact CG1-CD1 3.53Å; V158-L168 HydrophobicContact CG1-CG 4.14Å; V158-L168 HydrophobicContact CG2-CD1 4.12Å; V158-L168 HydrophobicContact CG2-CD2 3.7Å; V158-L168 HydrophobicContact CG2-CG 3.82Å
169	D	73.5	Confident	72.3	Confident	14 Å²	14	36.2 Å²	36.2	8%	0.075	23%	0.227	C	C	.	.			trans	57.6	84.7	161.2	-177	17.3	0	0	0	116	Q37 R69 H149 N156 G171	Q37-D169 PolarHBondContact NE2-OD2 2.92Å; Q37-D169 PolarHBondContact OE1-OD1 3.28Å; Q37-D169 PolarHBondContact OE1-OD2 3.5Å; R69-D169 IonicContact CZ-OD1 3.85Å; R69-D169 IonicContact NH2-OD1 3.23Å; R69-D169 PolarHBondContact NH2-OD1 3.38Å; R69-D169 IonicContact NH2-OD2 2.74Å; R69-D169 PolarHBondContact NH2-OD2 2.84Å; H149-D169 PolarHBondContact NE2-O 3.28Å; N156-D169 PolarHBondContact ND2-OD2 2.89Å; D169-G171 PolarHBondContact O-N 2.98Å; D169-G171 PolarHBondContact OD1-N 3.42Å
170	F	67.4	Low	69.5	Low	1 Å²	1	42.7 Å²	42.7	0%	0.004	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	11.7	172	-50.1	-67.4	0	0	0	113.9	R72 L76 M77 I85 I86 L142 L172 A173	R72-F170 PolarHBondContact NH2-O 3.12Å; L76-F170 HydrophobicContact CB-CB 4.06Å; L76-F170 HydrophobicContact CB-CD2 4.19Å; L76-F170 HydrophobicContact CB-CG 4.24Å; L76-F170 HydrophobicContact CD1-CB 3.44Å; L76-F170 VanDerWaalsContact CD1-CB 3.44Å; L76-F170 HydrophobicContact CD1-CG 4.27Å; L76-F170 HydrophobicContact CG-CB 4.39Å; M77-F170 HydrophobicContact CG-CD2 4.08Å; M77-F170 HydrophobicContact CG-CE2 4.21Å; I85-F170 HydrophobicContact CG2-CE1 4.48Å; I85-F170 HydrophobicContact CG2-CE2 4.01Å; I85-F170 HydrophobicContact CG2-CZ 3.46Å; I85-F170 VanDerWaalsContact CG2-CZ 3.46Å; I86-F170 HydrophobicContact CG2-CE2 4.49Å; L142-F170 HydrophobicContact CD1-CD1 4.36Å; L142-F170 HydrophobicContact CD1-CE1 3.76Å; L142-F170 HydrophobicContact CD2-CD1 4.05Å; L142-F170 HydrophobicContact CD2-CE1 3.58Å; L142-F170 HydrophobicContact CD2-CZ 4.24Å; L142-F170 HydrophobicContact CG-CE1 4.29Å; F170-L172 PolarHBondContact O-N 3.23Å; F170-A173 HydrophobicContact CB-CB 4.01Å; F170-A173 HydrophobicContact CD1-CB 4.39Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 3Å; F170-A173 VanDerWaalsContact O-N 3.11Å
171	G	55.8	Low	66.8	Low	2 Å²	2	46.1 Å²	46.1	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	-173.7	0	0	0	0	0	114.5	R72 D169	R72-G171 PolarHBondContact NH2-O 3.12Å; R72-G171 VanDerWaalsContact NH2-O 3.1Å; D169-G171 PolarHBondContact O-N 2.98Å; D169-G171 PolarHBondContact OD1-N 3.42Å
172	L	60.2	Low	64.6	Low	32 Å²	32	42.8 Å²	42.8	17%	0.168	25%	0.246	C	C	.	.	S	Bend	trans	-113.6	-7	174.2	-63.5	176.8	0	0	0	114.6	R72 H149 R150 D151 F170 R174 M182	R72-L172 VanDerWaalsContact NH2-CA 3.31Å; H149-L172 CarbonylContact O-C 3.59Å; R150-L172 PolarHBondContact NE-O 3.42Å; R150-L172 PolarHBondContact NH2-O 3.32Å; D151-L172 HydrophobicContact CB-CB 4.03Å; D151-L172 HydrophobicContact CB-CD1 3.69Å; D151-L172 HydrophobicContact CB-CG 4.44Å; F170-L172 PolarHBondContact O-N 3.23Å; L172-R174 PolarHBondContact O-N 2.9Å; L172-M182 HydrophobicContact CB-CE 4.14Å; L172-M182 HydrophobicContact CD1-CE 4.07Å; L172-M182 HydrophobicContact CG-CE 4.48Å
173	A	55.6	Low	61.9	Low	1 Å²	1	42.6 Å²	42.6	1%	0.008	25%	0.249	C	C	.	.			trans	-62.8	109.9	177.5	0	0	0	0	0	115.7	R72 L76 I147 I148 H149 F170	R72-A173 PolarHBondContact NH1-O 3.41Å; R72-A173 PolarHBondContact NH2-O 3.16Å; L76-A173 HydrophobicContact CD1-CB 4.46Å; I147-A173 HydrophobicContact CG2-CB 3.68Å; I148-A173 CarbonylContact O-C 3.18Å; I148-A173 WeakPolarHBondContact O-CA 3.45Å; I148-A173 WeakPolarHBondContact O-CB 3.38Å; H149-A173 VanDerWaalsContact O-CA 3.28Å; H149-A173 WeakPolarHBondContact O-CA 3.35Å; H149-A173 PolarHBondContact O-N 3.45Å; F170-A173 HydrophobicContact CB-CB 4.01Å; F170-A173 HydrophobicContact CD1-CB 4.39Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 3Å; F170-A173 VanDerWaalsContact O-N 3.11Å
174	R	60.2	Low	59	Low	57 Å²	57	45.8 Å²	45.8	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	162.2	-175.1	-71.2	-79.9	-175.3	-73.4	1.4	111.8	R72 I148 L172 T178	R72-R174 VanDerWaalsContact NH1-CD 3.28Å; R72-R174 VanDerWaalsContact NH2-NH1 3.11Å; I148-R174 PolarHBondContact N-O 3.49Å; I148-R174 PolarHBondContact O-N 2.84Å; L172-R174 PolarHBondContact O-N 2.9Å; R174-T178 WeakPolarHBondContact CB-OG1 3.47Å
175	T	51.5	Low	56.2	Low	2 Å²	2	53 Å²	53	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138	167	-51.3	0	0	0	0	111.7	G146 G177 T178 Y338 K340 D343	G146-T175 VanDerWaalsContact O-CA 3.27Å; G146-T175 WeakPolarHBondContact O-CA 3.49Å; T175-G177 PolarHBondContact O-N 3.34Å; T175-T178 PolarHBondContact O-N 3.04Å; T175-T178 PolarHBondContact O-OG1 3.4Å; T175-Y338 WeakPolarHBondContact OG1-CD1 3.48Å; T175-Y338 WeakPolarHBondContact OG1-CE1 3.44Å; T175-K340 HydrophobicContact CG2-CB 3.89Å; T175-K340 HydrophobicContact CG2-CD 3.36Å; T175-K340 HydrophobicContact CG2-CG 3.37Å; T175-D343 PolarHBondContact N-OD2 2.91Å; T175-D343 PolarHBondContact OG1-OD2 3.47Å
176	A	42.4	Very low	53.7	Low	22 Å²	22	59.8 Å²	59.8	18%	0.182	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	126.3	171.8	0	0	0	0	0	112.1	G146 I148	G146-A176 PolarHBondContact O-N 3.46Å; I148-A176 HydrophobicContact CD1-CB 3.75Å; I148-A176 HydrophobicContact CG1-CB 4.22Å
177	G	33	Very low	52.1	Low	72 Å²	72	61.4 Å²	61.4	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-4.2	178	0	0	0	0	0	116.6	T175	T175-G177 PolarHBondContact O-N 3.34Å
178	T	39	Very low	51	Low	29 Å²	29	64.4 Å²	64.4	18%	0.178	36%	0.364	C	S	.	.			trans	-88	110.8	-179.3	55.3	0	0	0	0	112.6	R174 T175 F180 Y202	R174-T178 WeakPolarHBondContact CB-OG1 3.47Å; T175-T178 PolarHBondContact O-N 3.04Å; T175-T178 PolarHBondContact O-OG1 3.4Å; T178-F180 PolarHBondContact O-N 2.91Å; T178-F180 VanDerWaalsContact O-N 3.17Å; T178-Y202 PolarHBondContact O-OH 3.08Å
179	S	37.6	Very low	51	Low	100 Å²	100	64.1 Å²	64.1	70%	0.699	36%	0.36	S	S	*	.			trans	-88.5	53.3	-175.2	-173.2	0	0	0	0	113.8
180	F	37.7	Very low	52	Low	145 Å²	145	66.5 Å²	66.5	64%	0.636	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-97.6	128	177.9	-160.3	-95.1	0	0	0	112.3	T178	T178-F180 PolarHBondContact O-N 2.91Å; T178-F180 VanDerWaalsContact O-N 3.17Å
181	M	38.3	Very low	53.3	Low	148 Å²	148	67.3 Å²	67.3	73%	0.729	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-68.9	134	175.7	-69.7	-171.8	-75.8	0	0	111
182	M	44	Very low	55.1	Low	39 Å²	39	67.7 Å²	67.7	19%	0.192	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-67.3	138.2	173.8	-77.6	-172.8	164.6	0	0	110.8	R150 L172 R192 V196	R150-M182 HydrophobicContact CB-CE 4.39Å; L172-M182 HydrophobicContact CB-CE 4.14Å; L172-M182 HydrophobicContact CD1-CE 4.07Å; L172-M182 HydrophobicContact CG-CE 4.48Å; M182-R192 PolarHBondContact SD-NH1 3.21Å; M182-R192 VanDerWaalsContact SD-NH1 3.45Å; M182-V196 HydrophobicContact SD-CG1 4.2Å
183	T	36.7	Very low	56.8	Low	94 Å²	94	66.2 Å²	66.2	58%	0.577	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-64.4	136.3	170.8	42.6	0	0	0	0	110.3	Y185	T183-Y185 PolarHBondContact O-N 3.42Å
184	P	33	Very low	58.7	Low	101 Å²	101	66.2 Å²	66.2	66%	0.656	37%	0.365	S	S	*	.			trans	-75.8	92.7	176.9	29.6	-31.6	0	0	0	109.3	Y230	P184-Y230 HydrophobicContact CB-CE2 4.27Å
185	Y	36.5	Very low	60.2	Low	193 Å²	193	63.5 Å²	63.5	76%	0.757	35%	0.354	S	S	*	.			trans	-122	153.8	162.7	-106.4	-95.6	0	0	0	109.6	T183 V187	T183-Y185 PolarHBondContact O-N 3.42Å; Y185-V187 VanDerWaalsContact C-N 3.28Å; Y185-V187 PolarHBondContact O-N 3.32Å
186	V	45.4	Very low	62.1	Low	143 Å²	143	64.6 Å²	64.6	87%	0.867	36%	0.361	S	S	*	.	S	Bend	trans	-62	83.6	-176.1	-174.8	0	0	0	0	110.3
187	V	63.8	Low	64.3	Low	55 Å²	55	64.6 Å²	64.6	33%	0.333	36%	0.358	S	S	.	.			trans	-126.7	144.2	175.3	-175.7	0	0	0	0	107.7	Y185 R189	Y185-V187 VanDerWaalsContact C-N 3.28Å; Y185-V187 PolarHBondContact O-N 3.32Å; V187-R189 PolarHBondContact O-N 3.05Å
188	T	71.6	Confident	67	Low	63 Å²	63	61.9 Å²	61.9	39%	0.387	33%	0.326	S	S	.	.			trans	-51.5	112.7	174.8	-47.7	0	0	0	0	110.6	Y190 Y191	T188-Y190 HydrophobicContact CG2-CD2 3.43Å; T188-Y190 VanDerWaalsContact CG2-CD2 3.43Å; T188-Y190 HydrophobicContact CG2-CE2 3.82Å; T188-Y190 HydrophobicContact CG2-CG 4.03Å; T188-Y191 HydrophobicContact CG2-CD2 4.31Å; T188-Y191 HydrophobicContact CG2-CE2 3.98Å
189	R	86.8	Confident	69.3	Low	34 Å²	34	62.2 Å²	62.2	13%	0.128	34%	0.335	C	S	.	.			trans	-102.3	-3	-176.3	67.8	-177.6	64.8	81.3	-1.2	114.2	V187 Y191 R192 G227 R228 D229 Q233	V187-R189 PolarHBondContact O-N 3.05Å; R189-Y191 PolarHBondContact O-N 3.34Å; R189-Y191 VanDerWaalsContact O-N 3.09Å; R189-R192 WeakPolarHBondContact O-CB 3.46Å; R189-R192 PolarHBondContact O-N 2.85Å; R189-G227 PolarHBondContact NH1-O 2.93Å; R189-R228 PolarHBondContact NH1-O 3.21Å; R189-D229 WeakPolarHBondContact CD-O 3.49Å; R189-Q233 HydrophobicContact CG-CB 4.43Å; R189-Q233 HydrophobicContact CG-CG 4.22Å
190	Y	94.6	Very high	71.8	Confident	64 Å²	64	58.5 Å²	58.5	25%	0.251	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.9	-167.7	-49.3	-35.5	0	0	0	114.4	T188 I223 F225 P226 G227	T188-Y190 HydrophobicContact CG2-CD2 3.43Å; T188-Y190 VanDerWaalsContact CG2-CD2 3.43Å; T188-Y190 HydrophobicContact CG2-CE2 3.82Å; T188-Y190 HydrophobicContact CG2-CG 4.03Å; Y190-I223 HydrophobicContact CD2-CD1 3.77Å; Y190-I223 HydrophobicContact CD2-CG1 4.43Å; Y190-I223 HydrophobicContact CD2-CG2 3.76Å; Y190-I223 HydrophobicContact CE2-CD1 3.82Å; Y190-I223 HydrophobicContact CG-CG2 3.77Å; Y190-F225 VanDerWaalsContact CD1-O 3.28Å; Y190-F225 WeakPolarHBondContact CD1-O 3.44Å; Y190-P226 HydrophobicContact CE1-CB 4.46Å; Y190-G227 WeakPolarHBondContact CE1-O 3.46Å
191	Y	95.6	Very high	74	Confident	17 Å²	17	54.4 Å²	54.4	7%	0.067	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	1.7	-178.3	-48.6	-84.6	0	0	0	113.2	L152 K153 P154 T188 R189 S210 C213 I214 E217	L152-Y191 WeakPolarHBondContact O-CB 3.3Å; K153-Y191 HydrophobicContact CB-CD2 3.41Å; K153-Y191 VanDerWaalsContact CB-CD2 3.41Å; K153-Y191 HydrophobicContact CB-CE2 3.83Å; K153-Y191 HydrophobicContact CB-CG 3.99Å; P154-Y191 VanDerWaalsContact CD-CE1 3.45Å; P154-Y191 VanDerWaalsContact CD-CE2 3.47Å; P154-Y191 WeakPolarHBondContact CD-OH 3.38Å; P154-Y191 HydrophobicContact CG-CE1 3.83Å; P154-Y191 HydrophobicContact CG-CE2 4.4Å; P154-Y191 WeakPolarHBondContact CG-OH 3.34Å; T188-Y191 HydrophobicContact CG2-CD2 4.31Å; T188-Y191 HydrophobicContact CG2-CE2 3.98Å; R189-Y191 PolarHBondContact O-N 3.34Å; R189-Y191 VanDerWaalsContact O-N 3.09Å; Y191-S210 WeakPolarHBondContact O-CA 3.27Å; Y191-S210 WeakPolarHBondContact O-CB 3.45Å; Y191-S210 PolarHBondContact O-OG 3Å; Y191-C213 HydrophobicContact CD1-CB 3.64Å; Y191-C213 HydrophobicContact CE1-CB 4.39Å; Y191-C213 HydrophobicContact CG-CB 4.48Å; Y191-I214 HydrophobicContact CD1-CG1 3.83Å; Y191-I214 HydrophobicContact CE1-CG1 4.06Å; Y191-E217 WeakPolarHBondContact CE1-OE2 3.22Å; Y191-E217 PolarHBondContact OH-OE2 2.79Å
192	R	93.5	Very high	76.4	Confident	11 Å²	11	48.6 Å²	48.6	4%	0.042	28%	0.276	C	S	.	.			trans	-77	138.2	-180	-67.4	-176.2	178.3	176.5	-0.9	110.4	D151 M182 R189 V196 I197 W209 Y230	D151-R192 IonicContact OD1-CZ 3.5Å; D151-R192 IonicContact OD1-NE 3.43Å; D151-R192 PolarHBondContact OD1-NE 2.81Å; D151-R192 IonicContact OD1-NH2 2.9Å; D151-R192 PolarHBondContact OD1-NH2 2.86Å; M182-R192 PolarHBondContact SD-NH1 3.21Å; M182-R192 VanDerWaalsContact SD-NH1 3.45Å; R189-R192 WeakPolarHBondContact O-CB 3.46Å; R189-R192 PolarHBondContact O-N 2.85Å; R192-V196 HydrophobicContact CB-CG1 4.49Å; R192-I197 HydrophobicContact CB-CD1 4.2Å; R192-I197 HydrophobicContact CB-CG1 4.05Å; R192-I197 WeakPolarHBondContact O-CD1 3.48Å; R192-W209 PolarHBondContact O-NE1 3.07Å; R192-Y230 PolarHBondContact NH1-OH 2.89Å; R192-Y230 VanDerWaalsContact NH1-OH 3.1Å
193	A	95.3	Very high	78.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	30%	0.296	C	S	.	.			trans	-68.6	154.1	178.9	0	0	0	0	0	112.5	E195 V196 I197 V206 W209	A193-E195 VanDerWaalsContact C-N 3.28Å; A193-E195 VanDerWaalsContact CB-CD 3.42Å; A193-E195 HydrophobicContact CB-CG 4.19Å; A193-E195 WeakPolarHBondContact CB-OE1 3.26Å; A193-E195 WeakPolarHBondContact CB-OE2 3.39Å; A193-E195 PolarHBondContact O-N 3.23Å; A193-V196 HydrophobicContact CB-CG2 4.37Å; A193-V196 WeakPolarHBondContact O-CB 2.96Å; A193-V196 PolarHBondContact O-N 3.38Å; A193-I197 PolarHBondContact O-N 3.06Å; A193-I197 VanDerWaalsContact O-N 3.1Å; A193-V206 HydrophobicContact CB-CG2 3.52Å; A193-W209 HydrophobicContact CB-CB 3.71Å; A193-W209 HydrophobicContact CB-CD2 4.45Å; A193-W209 HydrophobicContact CB-CG 3.73Å
194	P	95.1	Very high	81.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-50.5	-45.1	176.5	-33.1	40.1	0	0	0	113.8	V196 I197 L198 W209 W234 I304	P194-V196 PolarHBondContact O-N 2.99Å; P194-I197 PolarHBondContact O-N 3.37Å; P194-I197 VanDerWaalsContact O-N 3.17Å; P194-L198 VanDerWaalsContact O-CB 3.27Å; P194-L198 WeakPolarHBondContact O-CB 3.25Å; P194-L198 VanDerWaalsContact O-CG 3.25Å; P194-L198 WeakPolarHBondContact O-CG 3.41Å; P194-L198 PolarHBondContact O-N 3Å; P194-W209 HydrophobicContact CG-CD2 4.4Å; P194-W209 HydrophobicContact CG-CE3 4.21Å; P194-W209 HydrophobicContact CG-CH2 3.75Å; P194-W209 HydrophobicContact CG-CZ2 3.97Å; P194-W209 HydrophobicContact CG-CZ3 3.89Å; P194-W234 HydrophobicContact CB-CZ3 4Å; P194-W234 HydrophobicContact CG-CZ3 4.48Å; P194-I304 HydrophobicContact CB-CG2 4.09Å; P194-I304 HydrophobicContact CG-CB 4.47Å; P194-I304 HydrophobicContact CG-CG2 4.1Å
195	E	93.6	Very high	84.2	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-30.7	179	59.6	-88.5	-150.2	0	0	112.9	A193 G199 M200 V206 P306 R309	A193-E195 VanDerWaalsContact C-N 3.28Å; A193-E195 VanDerWaalsContact CB-CD 3.42Å; A193-E195 HydrophobicContact CB-CG 4.19Å; A193-E195 WeakPolarHBondContact CB-OE1 3.26Å; A193-E195 WeakPolarHBondContact CB-OE2 3.39Å; A193-E195 PolarHBondContact O-N 3.23Å; E195-G199 PolarHBondContact O-N 2.85Å; E195-M200 HydrophobicContact CB-CB 3.88Å; E195-M200 HydrophobicContact CB-CG 4.48Å; E195-M200 HydrophobicContact CB-SD 4.11Å; E195-M200 PolarHBondContact O-N 3.46Å; E195-V206 HydrophobicContact CG-CG2 4.14Å; E195-P306 HydrophobicContact CB-CG 4.12Å; E195-P306 HydrophobicContact CG-CG 4.04Å; E195-P306 WeakPolarHBondContact OE2-CG 3.48Å; E195-R309 IonicContact OE1-CZ 3.56Å; E195-R309 IonicContact OE1-NH1 3.16Å; E195-R309 PolarHBondContact OE1-NH1 2.66Å; E195-R309 IonicContact OE1-NH2 3.41Å; E195-R309 PolarHBondContact OE1-NH2 2.82Å; E195-R309 IonicContact OE2-CZ 3.77Å; E195-R309 IonicContact OE2-NH1 3.83Å; E195-R309 IonicContact OE2-NH2 2.69Å; E195-R309 PolarHBondContact OE2-NH2 2.91Å
196	V	89.9	Confident	87.1	Confident	26 Å²	26	39.9 Å²	39.9	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-75.6	-42.4	175.2	-179.9	0	0	0	0	110.7	M182 R192 A193 P194 G199 V206	M182-V196 HydrophobicContact SD-CG1 4.2Å; R192-V196 HydrophobicContact CB-CG1 4.49Å; A193-V196 HydrophobicContact CB-CG2 4.37Å; A193-V196 WeakPolarHBondContact O-CB 2.96Å; A193-V196 PolarHBondContact O-N 3.38Å; P194-V196 PolarHBondContact O-N 2.99Å; V196-G199 PolarHBondContact O-N 3.19Å; V196-V206 HydrophobicContact CG2-CG2 3.47Å; V196-V206 VanDerWaalsContact CG2-CG2 3.47Å
197	I	89.6	Confident	89.5	Confident	21 Å²	21	33.1 Å²	33.1	11%	0.108	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-37.1	-179.9	-67.7	160	0	0	0	111.4	R192 A193 P194 Y230 Q233	R192-I197 HydrophobicContact CB-CD1 4.2Å; R192-I197 HydrophobicContact CB-CG1 4.05Å; R192-I197 WeakPolarHBondContact O-CD1 3.48Å; A193-I197 PolarHBondContact O-N 3.06Å; A193-I197 VanDerWaalsContact O-N 3.1Å; P194-I197 PolarHBondContact O-N 3.37Å; P194-I197 VanDerWaalsContact O-N 3.17Å; I197-Y230 HydrophobicContact CB-CD1 4.4Å; I197-Y230 HydrophobicContact CG1-CD1 4.25Å; I197-Y230 HydrophobicContact CG2-CD1 3.92Å; I197-Y230 HydrophobicContact CG2-CG 4.48Å; I197-Q233 HydrophobicContact CD1-CB 4.49Å; I197-Q233 HydrophobicContact CD1-CG 3.47Å; I197-Q233 VanDerWaalsContact CD1-CG 3.47Å; I197-Q233 HydrophobicContact CG1-CG 4.4Å
198	L	89.9	Confident	91.2	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.079	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.1	-177.6	-61.6	175.6	0	0	0	113.3	P194 M200 W234 F248 L252 V256 V260	P194-L198 VanDerWaalsContact O-CB 3.27Å; P194-L198 WeakPolarHBondContact O-CB 3.25Å; P194-L198 VanDerWaalsContact O-CG 3.25Å; P194-L198 WeakPolarHBondContact O-CG 3.41Å; P194-L198 PolarHBondContact O-N 3Å; L198-M200 HydrophobicContact CB-CG 4.15Å; L198-M200 HydrophobicContact CB-SD 4.31Å; L198-M200 HydrophobicContact CD1-SD 4.42Å; L198-M200 PolarHBondContact O-N 3.24Å; L198-W234 HydrophobicContact CD1-CD2 4.47Å; L198-W234 HydrophobicContact CD1-CE3 4.02Å; L198-W234 HydrophobicContact CD1-CH2 3.94Å; L198-W234 HydrophobicContact CD1-CZ2 4.38Å; L198-W234 HydrophobicContact CD1-CZ3 3.77Å; L198-W234 HydrophobicContact CD2-CD2 4.2Å; L198-W234 HydrophobicContact CD2-CE3 4.31Å; L198-W234 HydrophobicContact CD2-CG 4.47Å; L198-W234 HydrophobicContact CG-CE3 4.35Å; L198-F248 HydrophobicContact CD1-CE1 4.09Å; L198-F248 HydrophobicContact CD1-CZ 3.93Å; L198-L252 HydrophobicContact CB-CD2 4.1Å; L198-L252 HydrophobicContact CD1-CD2 3.89Å; L198-V256 HydrophobicContact CB-CG1 4.12Å; L198-V256 HydrophobicContact CD2-CG1 3.86Å; L198-V260 HydrophobicContact CD2-CG2 3.99Å
199	G	86.4	Confident	92.5	Very high	36 Å²	36	27.5 Å²	27.5	37%	0.371	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	33.8	177.4	0	0	0	0	0	114	E195 V196	E195-G199 PolarHBondContact O-N 2.85Å; V196-G199 PolarHBondContact O-N 3.19Å
200	M	89.4	Confident	93	Very high	23 Å²	23	26 Å²	26	11%	0.113	14%	0.144	C	C	.	.			trans	-86.4	164.7	175	-55.9	169.7	70.2	0	0	110.8	E195 L198 F248 K251 L252	E195-M200 HydrophobicContact CB-CB 3.88Å; E195-M200 HydrophobicContact CB-CG 4.48Å; E195-M200 HydrophobicContact CB-SD 4.11Å; E195-M200 PolarHBondContact O-N 3.46Å; L198-M200 HydrophobicContact CB-CG 4.15Å; L198-M200 HydrophobicContact CB-SD 4.31Å; L198-M200 HydrophobicContact CD1-SD 4.42Å; L198-M200 PolarHBondContact O-N 3.24Å; M200-F248 HydrophobicContact CE-CD2 4.36Å; M200-F248 HydrophobicContact CE-CE2 3.81Å; M200-F248 HydrophobicContact CE-CZ 4.17Å; M200-F248 HydrophobicContact SD-CE2 3.87Å; M200-F248 HydrophobicContact SD-CZ 3.71Å; M200-K251 HydrophobicContact CE-CB 3.77Å; M200-K251 HydrophobicContact CE-CD 4.45Å; M200-L252 HydrophobicContact CE-CD2 4.09Å; M200-L252 HydrophobicContact CG-CD2 3.69Å; M200-L252 HydrophobicContact SD-CD2 3.4Å; M200-L252 WeakPolarHBondContact SD-CD2 3.46Å
201	G	84.8	Confident	93.2	Very high	58 Å²	58	23 Å²	23	60%	0.598	13%	0.132	S	C	*	.			trans	-63	144.4	162.4	0	0	0	0	0	110.8
202	Y	88.1	Confident	93.3	Very high	26 Å²	26	22.1 Å²	22.1	10%	0.102	13%	0.129	C	C	.	.			trans	-130.2	160.3	-177	57.8	-90.8	0	0	0	111.2	I148 R150 T178 V206	I148-Y202 HydrophobicContact CD1-CD2 4.2Å; I148-Y202 HydrophobicContact CD1-CE2 4.19Å; R150-Y202 HydrophobicContact CG-CE2 4.23Å; R150-Y202 PolarHBondContact NH1-OH 2.92Å; T178-Y202 PolarHBondContact O-OH 3.08Å; Y202-V206 HydrophobicContact CD2-CG1 4.34Å
203	K	90.8	Very high	93.6	Very high	143 Å²	143	21.7 Å²	21.7	62%	0.622	13%	0.128	S	C	*	.			trans	-125.4	-177.7	176.9	-69.8	-170.3	177.3	-172.6	0	110	N205 V206	K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 PolarHBondContact O-N 3.02Å; K203-V206 VanDerWaalsContact O-CB 3.26Å; K203-V206 WeakPolarHBondContact O-CB 3.27Å; K203-V206 WeakPolarHBondContact O-CG1 3.41Å; K203-V206 PolarHBondContact O-N 3.09Å
204	E	92.2	Very high	93.7	Very high	78 Å²	78	21.7 Å²	21.7	36%	0.364	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.6	-179.6	-67.1	83.7	-176.8	0	0	112.7	H143 I148 V206 D207	H143-E204 HydrophobicContact CB-CG 4.23Å; H143-E204 PolarHBondContact CE1-O 3.16Å; H143-E204 WeakPolarHBondContact ND1-CB 3.48Å; H143-E204 PolarHBondContact NE2-O 2.88Å; I148-E204 HydrophobicContact CD1-CG 4.42Å; I148-E204 HydrophobicContact CG1-CG 4.43Å; E204-V206 PolarHBondContact O-N 3.15Å; E204-D207 PolarHBondContact O-N 3.39Å
205	N	96.1	Very high	93.9	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	6.3	180	74.6	-18.4	0	0	0	114.9	K203 D207 I208 P306 R309	K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 PolarHBondContact O-N 3.02Å; N205-D207 PolarHBondContact O-N 3.32Å; N205-I208 HydrophobicContact CB-CB 4.47Å; N205-I208 HydrophobicContact CB-CG1 4.36Å; N205-I208 WeakPolarHBondContact O-CB 3.26Å; N205-I208 PolarHBondContact O-N 3.38Å; N205-P306 PolarHBondContact ND2-O 2.76Å; N205-R309 PolarHBondContact ND2-O 3.11Å; N205-R309 WeakPolarHBondContact O-CD 3.48Å; N205-R309 PolarHBondContact O-NH1 3.16Å
206	V	95.9	Very high	94.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-36.3	164	74	0	0	0	0	111.3	I148 R150 A193 E195 V196 Y202 K203 E204 I208 W209	I148-V206 HydrophobicContact CG2-CG1 3.25Å; R150-V206 HydrophobicContact CG-CG1 4.27Å; A193-V206 HydrophobicContact CB-CG2 3.52Å; E195-V206 HydrophobicContact CG-CG2 4.14Å; V196-V206 HydrophobicContact CG2-CG2 3.47Å; V196-V206 VanDerWaalsContact CG2-CG2 3.47Å; Y202-V206 HydrophobicContact CD2-CG1 4.34Å; K203-V206 VanDerWaalsContact O-CB 3.26Å; K203-V206 WeakPolarHBondContact O-CB 3.27Å; K203-V206 WeakPolarHBondContact O-CG1 3.41Å; K203-V206 PolarHBondContact O-N 3.09Å; E204-V206 PolarHBondContact O-N 3.15Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 2.68Å; V206-W209 WeakPolarHBondContact O-CB 3.34Å; V206-W209 PolarHBondContact O-N 3.44Å
207	D	96.9	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.6	-27.1	-179.8	-71.2	-32.9	0	0	0	111.5	I139 H143 I148 H149 R150 L152 E204 N205 W209 S210 V211	I139-D207 HydrophobicContact CD1-CB 4.46Å; I139-D207 HydrophobicContact CG2-CB 4.01Å; H143-D207 IonicContact CD2-OD2 2.56Å; H143-D207 IonicContact CE1-OD2 3.72Å; H143-D207 IonicContact NE2-OD2 2.91Å; H143-D207 PolarHBondContact NE2-OD2 3.38Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.07Å; H149-D207 PolarHBondContact N-OD2 2.94Å; R150-D207 PolarHBondContact N-OD1 3.37Å; L152-D207 HydrophobicContact CD1-CB 3.83Å; E204-D207 PolarHBondContact O-N 3.39Å; N205-D207 PolarHBondContact O-N 3.32Å; D207-W209 VanDerWaalsContact C-N 3.3Å; D207-W209 PolarHBondContact O-N 3.27Å; D207-S210 WeakPolarHBondContact O-CB 3.46Å; D207-S210 PolarHBondContact O-N 3.47Å; D207-S210 VanDerWaalsContact O-N 3.12Å; D207-V211 WeakPolarHBondContact O-CG2 3.2Å; D207-V211 PolarHBondContact O-N 3.43Å
208	I	98.6	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-34.9	175.5	-70	-73.4	0	0	0	111.9	L136 N205 V206 S210 V211 G212 M301 R309 I310 V312 A315	L136-I208 HydrophobicContact CD2-CD1 3.52Å; N205-I208 HydrophobicContact CB-CB 4.47Å; N205-I208 HydrophobicContact CB-CG1 4.36Å; N205-I208 WeakPolarHBondContact O-CB 3.26Å; N205-I208 PolarHBondContact O-N 3.38Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 2.68Å; I208-S210 VanDerWaalsContact C-N 3.32Å; I208-S210 PolarHBondContact O-N 3.41Å; I208-V211 PolarHBondContact O-N 3.18Å; I208-G212 PolarHBondContact O-N 3.5Å; I208-M301 HydrophobicContact CG2-CB 3.95Å; I208-M301 HydrophobicContact CG2-CG 3.78Å; I208-R309 HydrophobicContact CG2-CG 4.05Å; I208-I310 HydrophobicContact CG2-CG2 3.72Å; I208-V312 HydrophobicContact CD1-CB 4.4Å; I208-V312 HydrophobicContact CD1-CG2 3.89Å; I208-V312 HydrophobicContact CG1-CG2 3.89Å; I208-A315 HydrophobicContact CD1-CB 4.16Å
209	W	98.6	Very high	95.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-45.5	172.8	174.5	-85.2	0	0	0	111.1	R192 A193 P194 V206 D207 V211 G212 C213 F225 V237 L241 I304	R192-W209 PolarHBondContact O-NE1 3.07Å; A193-W209 HydrophobicContact CB-CB 3.71Å; A193-W209 HydrophobicContact CB-CD2 4.45Å; A193-W209 HydrophobicContact CB-CG 3.73Å; P194-W209 HydrophobicContact CG-CD2 4.4Å; P194-W209 HydrophobicContact CG-CE3 4.21Å; P194-W209 HydrophobicContact CG-CH2 3.75Å; P194-W209 HydrophobicContact CG-CZ2 3.97Å; P194-W209 HydrophobicContact CG-CZ3 3.89Å; V206-W209 WeakPolarHBondContact O-CB 3.34Å; V206-W209 PolarHBondContact O-N 3.44Å; D207-W209 VanDerWaalsContact C-N 3.3Å; D207-W209 PolarHBondContact O-N 3.27Å; W209-V211 VanDerWaalsContact C-N 3.33Å; W209-V211 PolarHBondContact O-N 3.21Å; W209-G212 PolarHBondContact O-N 3.39Å; W209-G212 VanDerWaalsContact O-N 3.15Å; W209-C213 PolarHBondContact NE1-SG 3.39Å; W209-C213 VanDerWaalsContact NE1-SG 3.41Å; W209-C213 PolarHBondContact O-N 2.88Å; W209-F225 HydrophobicContact CH2-CE2 4.28Å; W209-F225 HydrophobicContact CZ2-CD2 4.15Å; W209-F225 AromaticContact CZ2-CE2 3.74Å; W209-F225 HydrophobicContact CZ2-CE2 3.74Å; W209-F225 HydrophobicContact CZ2-CZ 4.37Å; W209-V237 HydrophobicContact CH2-CG1 3.77Å; W209-V237 HydrophobicContact CH2-CG2 4.41Å; W209-V237 HydrophobicContact CZ2-CG1 4.17Å; W209-V237 HydrophobicContact CZ2-CG2 3.98Å; W209-L241 HydrophobicContact CH2-CD1 3.56Å; W209-L241 HydrophobicContact CZ3-CD1 3.93Å; W209-I304 HydrophobicContact CH2-CG1 4.46Å; W209-I304 HydrophobicContact CZ3-CG1 4.42Å
210	S	97.9	Very high	95.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-42.1	178.3	-55.7	0	0	0	0	111.5	Y191 D207 I208 G212 C213 I214	Y191-S210 WeakPolarHBondContact O-CA 3.27Å; Y191-S210 WeakPolarHBondContact O-CB 3.45Å; Y191-S210 PolarHBondContact O-OG 3Å; D207-S210 WeakPolarHBondContact O-CB 3.46Å; D207-S210 PolarHBondContact O-N 3.47Å; D207-S210 VanDerWaalsContact O-N 3.12Å; I208-S210 VanDerWaalsContact C-N 3.32Å; I208-S210 PolarHBondContact O-N 3.41Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.48Å; S210-C213 PolarHBondContact O-N 3.05Å; S210-I214 WeakPolarHBondContact O-CD1 3.29Å; S210-I214 VanDerWaalsContact O-CG1 3.26Å; S210-I214 WeakPolarHBondContact O-CG1 3.35Å; S210-I214 PolarHBondContact O-N 3.16Å
211	V	98.6	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-44.4	173	179.7	0	0	0	0	111	L132 M135 I139 L152 D207 I208 W209 C213 I214 M215 M301	L132-V211 HydrophobicContact CD2-CG1 3.77Å; M135-V211 HydrophobicContact CE-CB 4.37Å; M135-V211 HydrophobicContact CE-CG1 4.17Å; M135-V211 HydrophobicContact CE-CG2 3.98Å; I139-V211 HydrophobicContact CD1-CG2 3.35Å; L152-V211 HydrophobicContact CD1-CG2 4.47Å; D207-V211 WeakPolarHBondContact O-CG2 3.2Å; D207-V211 PolarHBondContact O-N 3.43Å; I208-V211 PolarHBondContact O-N 3.18Å; W209-V211 VanDerWaalsContact C-N 3.33Å; W209-V211 PolarHBondContact O-N 3.21Å; V211-C213 VanDerWaalsContact C-N 3.34Å; V211-C213 PolarHBondContact O-N 3.31Å; V211-I214 PolarHBondContact O-N 3.48Å; V211-M215 WeakPolarHBondContact O-CB 3.19Å; V211-M215 PolarHBondContact O-N 3.03Å; V211-M301 HydrophobicContact CB-SD 4.4Å; V211-M301 HydrophobicContact CG1-CE 3.96Å; V211-M301 HydrophobicContact CG1-SD 3.95Å
212	G	98.8	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-40.7	175.9	0	0	0	0	0	113.1	I208 W209 S210 G216	I208-G212 PolarHBondContact O-N 3.5Å; W209-G212 PolarHBondContact O-N 3.39Å; W209-G212 VanDerWaalsContact O-N 3.15Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.48Å; G212-G216 PolarHBondContact O-N 3.49Å
213	C	98.7	Very high	96.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-43.2	174.1	-72.6	0	0	0	0	112.1	Y191 W209 S210 V211 G216 E217	Y191-C213 HydrophobicContact CD1-CB 3.64Å; Y191-C213 HydrophobicContact CE1-CB 4.39Å; Y191-C213 HydrophobicContact CG-CB 4.48Å; W209-C213 PolarHBondContact NE1-SG 3.39Å; W209-C213 VanDerWaalsContact NE1-SG 3.41Å; W209-C213 PolarHBondContact O-N 2.88Å; S210-C213 PolarHBondContact O-N 3.05Å; V211-C213 VanDerWaalsContact C-N 3.34Å; V211-C213 PolarHBondContact O-N 3.31Å; C213-G216 PolarHBondContact O-N 3.21Å; C213-E217 WeakPolarHBondContact O-CB 3.31Å; C213-E217 PolarHBondContact O-N 3.24Å
214	I	98.4	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-47.7	178	-68.8	164.7	0	0	0	110.4	L115 M135 P154 I157 Y191 S210 V211 G216 E217 M218	L115-I214 HydrophobicContact CD2-CG2 3.5Å; L115-I214 VanDerWaalsContact CD2-CG2 3.5Å; M135-I214 HydrophobicContact CE-CB 4.3Å; M135-I214 HydrophobicContact CE-CD1 3.63Å; M135-I214 HydrophobicContact CE-CG2 4.04Å; M135-I214 HydrophobicContact SD-CG2 4.34Å; P154-I214 HydrophobicContact CG-CG1 4.09Å; I157-I214 HydrophobicContact CD1-CD1 3.7Å; Y191-I214 HydrophobicContact CD1-CG1 3.83Å; Y191-I214 HydrophobicContact CE1-CG1 4.06Å; S210-I214 WeakPolarHBondContact O-CD1 3.29Å; S210-I214 VanDerWaalsContact O-CG1 3.26Å; S210-I214 WeakPolarHBondContact O-CG1 3.35Å; S210-I214 PolarHBondContact O-N 3.16Å; V211-I214 PolarHBondContact O-N 3.48Å; I214-G216 PolarHBondContact O-N 2.94Å; I214-E217 PolarHBondContact O-N 3.18Å; I214-M218 HydrophobicContact CG2-CE 3.8Å; I214-M218 HydrophobicContact CG2-SD 4.41Å; I214-M218 WeakPolarHBondContact O-CG 3.44Å; I214-M218 PolarHBondContact O-N 3.27Å
215	M	98.6	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-46.1	176.8	-178	176.8	-179.6	0	0	111.4	L132 V211 E217 M218 V219 A294 L297 L298 Y320	L132-M215 HydrophobicContact CD1-CB 4.3Å; L132-M215 HydrophobicContact CD1-CE 3.96Å; L132-M215 HydrophobicContact CD1-CG 3.77Å; L132-M215 HydrophobicContact CD1-SD 3.56Å; L132-M215 VanDerWaalsContact CD1-SD 3.56Å; L132-M215 HydrophobicContact CD2-CB 3.89Å; L132-M215 HydrophobicContact CD2-CG 4.3Å; V211-M215 WeakPolarHBondContact O-CB 3.19Å; V211-M215 PolarHBondContact O-N 3.03Å; M215-E217 VanDerWaalsContact C-N 3.27Å; M215-E217 PolarHBondContact O-N 2.93Å; M215-M218 WeakPolarHBondContact O-CB 3.49Å; M215-M218 PolarHBondContact O-N 3.35Å; M215-V219 WeakPolarHBondContact O-CG2 3.36Å; M215-V219 PolarHBondContact O-N 3.49Å; M215-V219 VanDerWaalsContact O-N 3.11Å; M215-A294 HydrophobicContact CE-CB 3.76Å; M215-A294 VanDerWaalsContact CE-O 3.25Å; M215-A294 WeakPolarHBondContact CE-O 3.39Å; M215-L297 HydrophobicContact CE-CB 4.44Å; M215-L297 HydrophobicContact CE-CD2 4.34Å; M215-L297 HydrophobicContact SD-CD2 4.13Å; M215-L297 HydrophobicContact SD-CG 4.35Å; M215-L298 HydrophobicContact CB-CD2 3.91Å; M215-L298 HydrophobicContact CE-CD1 4.25Å; M215-L298 HydrophobicContact CE-CG 3.94Å; M215-L298 HydrophobicContact CG-CD1 4.42Å; M215-L298 HydrophobicContact CG-CD2 3.76Å; M215-L298 HydrophobicContact CG-CG 4.01Å; M215-L298 HydrophobicContact SD-CD2 3.92Å; M215-L298 HydrophobicContact SD-CG 3.73Å; M215-Y320 HydrophobicContact CE-CD1 4.06Å; M215-Y320 HydrophobicContact CE-CE1 3.79Å
216	G	98.3	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-30.5	179.8	0	0	0	0	0	112.6	G212 C213 I214 V219 R220 F275	G212-G216 PolarHBondContact O-N 3.49Å; C213-G216 PolarHBondContact O-N 3.21Å; I214-G216 PolarHBondContact O-N 2.94Å; G216-V219 PolarHBondContact O-N 2.88Å; G216-R220 WeakPolarHBondContact O-CB 3.48Å; G216-R220 WeakPolarHBondContact O-CG 3.4Å; G216-R220 PolarHBondContact O-N 3.24Å; G216-F275 VanDerWaalsContact CA-CE1 3.46Å
217	E	97.9	Very high	97.2	Very high	14 Å²	14	21.8 Å²	21.8	7%	0.065	10%	0.103	C	C	.	.	H	α-helix	trans	-71.2	-38.6	172.2	-177.2	173.8	178.5	0	0	112.3	I119 Y191 C213 I214 M215 V219 R220 H221 I223	I119-E217 HydrophobicContact CD1-CB 4.49Å; I119-E217 HydrophobicContact CD1-CG 4.07Å; I119-E217 HydrophobicContact CG2-CG 3.66Å; Y191-E217 WeakPolarHBondContact CE1-OE2 3.22Å; Y191-E217 PolarHBondContact OH-OE2 2.79Å; C213-E217 WeakPolarHBondContact O-CB 3.31Å; C213-E217 PolarHBondContact O-N 3.24Å; I214-E217 PolarHBondContact O-N 3.18Å; M215-E217 VanDerWaalsContact C-N 3.27Å; M215-E217 PolarHBondContact O-N 2.93Å; E217-V219 VanDerWaalsContact C-N 3.25Å; E217-V219 PolarHBondContact O-N 3.26Å; E217-R220 PolarHBondContact O-N 3.32Å; E217-H221 WeakPolarHBondContact O-CA 3.45Å; E217-H221 PolarHBondContact O-N 2.99Å; E217-I223 WeakPolarHBondContact OE1-CG1 3.49Å
218	M	97.1	Very high	96.9	Very high	4 Å²	4	31 Å²	31	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-39.1	171.7	-71.3	172.2	172.9	0	0	111.8	L115 I119 M128 L131 I214 M215 H221	L115-M218 HydrophobicContact CD1-CE 3.59Å; L115-M218 HydrophobicContact CD2-CE 3.54Å; L115-M218 HydrophobicContact CG-CE 3.66Å; I119-M218 HydrophobicContact CD1-CG 4.49Å; I119-M218 HydrophobicContact CG1-CG 3.66Å; M128-M218 HydrophobicContact CE-CB 4.36Å; M128-M218 HydrophobicContact CG-SD 4.25Å; L131-M218 HydrophobicContact CD1-CE 4.44Å; I214-M218 HydrophobicContact CG2-CE 3.8Å; I214-M218 HydrophobicContact CG2-SD 4.41Å; I214-M218 WeakPolarHBondContact O-CG 3.44Å; I214-M218 PolarHBondContact O-N 3.27Å; M215-M218 WeakPolarHBondContact O-CB 3.49Å; M215-M218 PolarHBondContact O-N 3.35Å; M218-H221 PolarHBondContact O-CE1 2.96Å
219	V	96.8	Very high	96.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-75.6	-38.3	178.8	174.2	0	0	0	0	112.2	M128 M215 G216 E217 F275 L279 F280	M128-V219 HydrophobicContact CE-CG2 3.93Å; M128-V219 HydrophobicContact SD-CG2 3.93Å; M215-V219 WeakPolarHBondContact O-CG2 3.36Å; M215-V219 PolarHBondContact O-N 3.49Å; M215-V219 VanDerWaalsContact O-N 3.11Å; G216-V219 PolarHBondContact O-N 2.88Å; E217-V219 VanDerWaalsContact C-N 3.25Å; E217-V219 PolarHBondContact O-N 3.26Å; V219-F275 HydrophobicContact CB-CD1 4.26Å; V219-F275 HydrophobicContact CG1-CD1 3.9Å; V219-L279 HydrophobicContact CG1-CB 3.79Å; V219-L279 HydrophobicContact CG1-CD1 4.3Å; V219-F280 HydrophobicContact CB-CE1 4.33Å; V219-F280 HydrophobicContact CG1-CD1 4.23Å; V219-F280 HydrophobicContact CG1-CE1 3.7Å; V219-F280 HydrophobicContact CG1-CE2 4.04Å; V219-F280 HydrophobicContact CG1-CZ 3.61Å; V219-F280 HydrophobicContact CG2-CD1 4.32Å; V219-F280 HydrophobicContact CG2-CE1 3.57Å; V219-F280 HydrophobicContact CG2-CZ 4.08Å
220	R	96.1	Very high	95.8	Very high	79 Å²	79	37.5 Å²	37.5	30%	0.298	17%	0.168	S	C	.	.	H	α-helix	trans	-93.5	-10.4	-174.7	-66.4	-174.4	70.4	-175	2.4	114.2	G216 E217 K222 L224 F275 L279	G216-R220 WeakPolarHBondContact O-CB 3.48Å; G216-R220 WeakPolarHBondContact O-CG 3.4Å; G216-R220 PolarHBondContact O-N 3.24Å; E217-R220 PolarHBondContact O-N 3.32Å; R220-K222 HydrophobicContact CB-CB 4.45Å; R220-K222 PolarHBondContact O-N 3.19Å; R220-L224 HydrophobicContact CG-CD2 4.4Å; R220-F275 HydrophobicContact CG-CD1 3.82Å; R220-F275 HydrophobicContact CG-CE1 3.79Å; R220-L279 HydrophobicContact CG-CD1 3.84Å
221	H	95.9	Very high	95.3	Very high	71 Å²	71	41.4 Å²	41.4	33%	0.329	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	24	-166.6	-53.9	-67.9	0	0	0	113.3	I119 M121 E217 M218	I119-H221 PolarHBondContact O-ND1 3.15Å; M121-H221 PolarHBondContact O-CE1 3.22Å; M121-H221 VanDerWaalsContact O-CE1 3.29Å; E217-H221 WeakPolarHBondContact O-CA 3.45Å; E217-H221 PolarHBondContact O-N 2.99Å; M218-H221 PolarHBondContact O-CE1 2.96Å
222	K	95.5	Very high	95	Very high	151 Å²	151	42.2 Å²	42.2	66%	0.657	19%	0.192	S	C	*	.	S	Bend	trans	-146.9	135.9	-174.4	-70.2	-176	-177.9	177.1	0	110	R220 L224	R220-K222 HydrophobicContact CB-CB 4.45Å; R220-K222 PolarHBondContact O-N 3.19Å; K222-L224 PolarHBondContact O-N 2.94Å
223	I	96.8	Very high	94.8	Very high	62 Å²	62	42.2 Å²	42.2	32%	0.318	19%	0.192	S	C	.	.			trans	-52.6	126.7	174	-62.8	165	0	0	0	109.5	Y190 E217 P226	Y190-I223 HydrophobicContact CD2-CD1 3.77Å; Y190-I223 HydrophobicContact CD2-CG1 4.43Å; Y190-I223 HydrophobicContact CD2-CG2 3.76Å; Y190-I223 HydrophobicContact CE2-CD1 3.82Å; Y190-I223 HydrophobicContact CG-CG2 3.77Å; E217-I223 WeakPolarHBondContact OE1-CG1 3.49Å; I223-P226 HydrophobicContact CG2-CB 4.07Å
224	L	97	Very high	94.6	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-66.4	-45.5	-177.6	-63.7	-171.8	0	0	0	112.8	R220 K222 P226 Q240 F275 L302	R220-L224 HydrophobicContact CG-CD2 4.4Å; K222-L224 PolarHBondContact O-N 2.94Å; L224-P226 WeakPolarHBondContact O-CD 3.34Å; L224-Q240 PolarHBondContact O-NE2 3.17Å; L224-F275 HydrophobicContact CD1-CZ 4.23Å; L224-F275 HydrophobicContact CD2-CE1 4.03Å; L224-F275 HydrophobicContact CD2-CZ 4.08Å; L224-L302 HydrophobicContact CD1-CD1 3.71Å; L224-L302 HydrophobicContact CD1-CD2 4.36Å
225	F	97.4	Very high	94.4	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	20%	0.2	C	C	.	.			trans	-128.9	75.7	-170.5	-48.9	-61.3	0	0	0	110.9	Y190 W209 G227 Q233 K236 V237 Q240 L241 L302	Y190-F225 VanDerWaalsContact CD1-O 3.28Å; Y190-F225 WeakPolarHBondContact CD1-O 3.44Å; W209-F225 HydrophobicContact CH2-CE2 4.28Å; W209-F225 HydrophobicContact CZ2-CD2 4.15Å; W209-F225 AromaticContact CZ2-CE2 3.74Å; W209-F225 HydrophobicContact CZ2-CE2 3.74Å; W209-F225 HydrophobicContact CZ2-CZ 4.37Å; F225-G227 PolarHBondContact O-N 2.98Å; F225-G227 VanDerWaalsContact O-N 3.14Å; F225-Q233 VanDerWaalsContact O-CD 3.29Å; F225-Q233 PolarHBondContact O-NE2 3.45Å; F225-Q233 PolarHBondContact O-OE1 3.25Å; F225-K236 HydrophobicContact CB-CB 4.24Å; F225-K236 HydrophobicContact CD1-CB 4.46Å; F225-K236 WeakPolarHBondContact CD1-O 3.3Å; F225-V237 HydrophobicContact CB-CG2 4.21Å; F225-V237 HydrophobicContact CD1-CB 4.47Å; F225-V237 HydrophobicContact CD1-CG2 3.9Å; F225-V237 HydrophobicContact CD2-CG2 4.15Å; F225-V237 HydrophobicContact CE1-CG2 4.31Å; F225-V237 HydrophobicContact CG-CG2 3.82Å; F225-Q240 HydrophobicContact CE1-CB 4.17Å; F225-L241 HydrophobicContact CZ-CD1 4.02Å; F225-L241 HydrophobicContact CZ-CG 4.3Å; F225-L302 HydrophobicContact CE2-CD2 4.19Å
226	P	95.4	Very high	94.3	Very high	59 Å²	59	46.6 Å²	46.6	38%	0.383	21%	0.213	S	C	.	.			trans	-84.4	81.9	-177.9	33.4	-34.5	0	0	0	111.6	Y190 I223 L224	Y190-P226 HydrophobicContact CE1-CB 4.46Å; I223-P226 HydrophobicContact CG2-CB 4.07Å; L224-P226 WeakPolarHBondContact O-CD 3.34Å
227	G	92.8	Very high	94.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.213	C	C	.	.			trans	-92.4	130	178.5	0	0	0	0	0	114.6	R189 Y190 F225 D229 Q233	R189-G227 PolarHBondContact NH1-O 2.93Å; Y190-G227 WeakPolarHBondContact CE1-O 3.46Å; F225-G227 PolarHBondContact O-N 2.98Å; F225-G227 VanDerWaalsContact O-N 3.14Å; G227-D229 VanDerWaalsContact C-N 3.3Å; G227-D229 PolarHBondContact O-N 3.02Å; G227-Q233 VanDerWaalsContact CA-OE1 3.27Å
228	R	88.8	Confident	94.2	Very high	194 Å²	194	46 Å²	46	73%	0.732	21%	0.21	S	C	*	.	S	Bend	trans	-64.8	-32.8	178.4	-67.6	169	-68.9	166.3	2.8	113.4	R189 D232	R189-R228 PolarHBondContact NH1-O 3.21Å; R228-D232 HydrophobicContact CB-CB 4.38Å; R228-D232 WeakPolarHBondContact CB-OD2 3.44Å; R228-D232 WeakPolarHBondContact CG-OD2 3.4Å; R228-D232 IonicContact CZ-OD1 3.86Å; R228-D232 IonicContact CZ-OD2 3.71Å; R228-D232 PolarHBondContact N-OD2 3.42Å; R228-D232 IonicContact NE-OD1 3.78Å; R228-D232 IonicContact NE-OD2 2.9Å; R228-D232 PolarHBondContact NE-OD2 3.32Å; R228-D232 IonicContact NH2-OD1 3.03Å; R228-D232 PolarHBondContact NH2-OD1 3.36Å; R228-D232 IonicContact NH2-OD2 3.62Å
229	D	87	Confident	94.2	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	23%	0.226	S	C	.	.	S	Bend	trans	-145	-174.2	175.3	57.9	41.5	0	0	0	109.8	R189 G227 I231 D232 Q233	R189-D229 WeakPolarHBondContact CD-O 3.49Å; G227-D229 VanDerWaalsContact C-N 3.3Å; G227-D229 PolarHBondContact O-N 3.02Å; D229-I231 VanDerWaalsContact C-N 3.29Å; D229-I231 PolarHBondContact O-N 3.13Å; D229-I231 WeakPolarHBondContact OD1-CA 3.49Å; D229-I231 VanDerWaalsContact OD1-CB 3.31Å; D229-I231 WeakPolarHBondContact OD1-CB 3.11Å; D229-I231 PolarHBondContact OD1-N 3.03Å; D229-D232 WeakPolarHBondContact OD1-CB 3.36Å; D229-D232 PolarHBondContact OD1-N 3.29Å; D229-Q233 WeakPolarHBondContact O-CB 3.28Å; D229-Q233 PolarHBondContact O-N 3.13Å
230	Y	87.6	Confident	94.3	Very high	63 Å²	63	50.7 Å²	50.7	25%	0.247	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-30.2	-179.7	-68.9	-62.5	0	0	0	113.6	P184 R192 I197 W234	P184-Y230 HydrophobicContact CB-CE2 4.27Å; R192-Y230 PolarHBondContact NH1-OH 2.89Å; R192-Y230 VanDerWaalsContact NH1-OH 3.1Å; I197-Y230 HydrophobicContact CB-CD1 4.4Å; I197-Y230 HydrophobicContact CG1-CD1 4.25Å; I197-Y230 HydrophobicContact CG2-CD1 3.92Å; I197-Y230 HydrophobicContact CG2-CG 4.48Å; Y230-W234 PolarHBondContact O-N 2.71Å; Y230-W234 VanDerWaalsContact O-N 3.11Å
231	I	88.4	Confident	94.3	Very high	84 Å²	84	48.7 Å²	48.7	43%	0.431	23%	0.227	S	C	.	.	H	α-helix	trans	-71.5	-51.3	179.8	-74.6	168.8	0	0	0	109.5	D229 Q233 W234 N235 Y259	D229-I231 VanDerWaalsContact C-N 3.29Å; D229-I231 PolarHBondContact O-N 3.13Å; D229-I231 WeakPolarHBondContact OD1-CA 3.49Å; D229-I231 VanDerWaalsContact OD1-CB 3.31Å; D229-I231 WeakPolarHBondContact OD1-CB 3.11Å; D229-I231 PolarHBondContact OD1-N 3.03Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.03Å; I231-W234 PolarHBondContact O-N 3.37Å; I231-N235 PolarHBondContact O-N 3.32Å; I231-N235 VanDerWaalsContact O-N 3.08Å; I231-N235 PolarHBondContact O-ND2 3.4Å; I231-Y259 WeakPolarHBondContact CB-OH 3.31Å; I231-Y259 HydrophobicContact CD1-CE2 4.18Å; I231-Y259 HydrophobicContact CG1-CE2 3.94Å; I231-Y259 WeakPolarHBondContact CG1-OH 3.24Å; I231-Y259 HydrophobicContact CG2-CE2 4.41Å; I231-Y259 WeakPolarHBondContact CG2-OH 3.41Å
232	D	91.9	Very high	94.4	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-39.6	177.6	-161.7	51.4	0	0	0	110.6	R228 D229 W234 N235 K236	R228-D232 HydrophobicContact CB-CB 4.38Å; R228-D232 WeakPolarHBondContact CB-OD2 3.44Å; R228-D232 WeakPolarHBondContact CG-OD2 3.4Å; R228-D232 IonicContact CZ-OD1 3.86Å; R228-D232 IonicContact CZ-OD2 3.71Å; R228-D232 PolarHBondContact N-OD2 3.42Å; R228-D232 IonicContact NE-OD1 3.78Å; R228-D232 IonicContact NE-OD2 2.9Å; R228-D232 PolarHBondContact NE-OD2 3.32Å; R228-D232 IonicContact NH2-OD1 3.03Å; R228-D232 PolarHBondContact NH2-OD1 3.36Å; R228-D232 IonicContact NH2-OD2 3.62Å; D229-D232 WeakPolarHBondContact OD1-CB 3.36Å; D229-D232 PolarHBondContact OD1-N 3.29Å; D232-W234 PolarHBondContact O-N 2.93Å; D232-N235 WeakPolarHBondContact O-CB 3.36Å; D232-N235 PolarHBondContact O-N 3.1Å; D232-K236 WeakPolarHBondContact O-CG 3.23Å; D232-K236 PolarHBondContact O-N 2.71Å
233	Q	94.1	Very high	94.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-47.9	174.3	-173.4	66.9	31.2	0	0	111.9	R189 I197 F225 G227 D229 I231 N235 K236 V237	R189-Q233 HydrophobicContact CG-CB 4.43Å; R189-Q233 HydrophobicContact CG-CG 4.22Å; I197-Q233 HydrophobicContact CD1-CB 4.49Å; I197-Q233 HydrophobicContact CD1-CG 3.47Å; I197-Q233 VanDerWaalsContact CD1-CG 3.47Å; I197-Q233 HydrophobicContact CG1-CG 4.4Å; F225-Q233 VanDerWaalsContact O-CD 3.29Å; F225-Q233 PolarHBondContact O-NE2 3.45Å; F225-Q233 PolarHBondContact O-OE1 3.25Å; G227-Q233 VanDerWaalsContact CA-OE1 3.27Å; D229-Q233 WeakPolarHBondContact O-CB 3.28Å; D229-Q233 PolarHBondContact O-N 3.13Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.03Å; Q233-N235 VanDerWaalsContact C-N 3.34Å; Q233-N235 PolarHBondContact O-N 3.07Å; Q233-K236 PolarHBondContact O-N 2.82Å; Q233-V237 WeakPolarHBondContact O-CG2 3.33Å; Q233-V237 PolarHBondContact O-N 3.43Å
234	W	94.9	Very high	94.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-43.1	176.8	175.8	-111.2	0	0	0	111.9	P194 L198 Y230 I231 D232 K236 V237 I238 P244 F248 V260 I304	P194-W234 HydrophobicContact CB-CZ3 4Å; P194-W234 HydrophobicContact CG-CZ3 4.48Å; L198-W234 HydrophobicContact CD1-CD2 4.47Å; L198-W234 HydrophobicContact CD1-CE3 4.02Å; L198-W234 HydrophobicContact CD1-CH2 3.94Å; L198-W234 HydrophobicContact CD1-CZ2 4.38Å; L198-W234 HydrophobicContact CD1-CZ3 3.77Å; L198-W234 HydrophobicContact CD2-CD2 4.2Å; L198-W234 HydrophobicContact CD2-CE3 4.31Å; L198-W234 HydrophobicContact CD2-CG 4.47Å; L198-W234 HydrophobicContact CG-CE3 4.35Å; Y230-W234 PolarHBondContact O-N 2.71Å; Y230-W234 VanDerWaalsContact O-N 3.11Å; I231-W234 PolarHBondContact O-N 3.37Å; D232-W234 PolarHBondContact O-N 2.93Å; W234-K236 PolarHBondContact O-N 3.25Å; W234-V237 HydrophobicContact CZ3-CG1 4.39Å; W234-V237 WeakPolarHBondContact O-CB 3.26Å; W234-V237 PolarHBondContact O-N 3Å; W234-V237 VanDerWaalsContact O-N 3.15Å; W234-I238 HydrophobicContact CD2-CG2 4.07Å; W234-I238 HydrophobicContact CE3-CG2 4.33Å; W234-I238 HydrophobicContact CH2-CG2 3.69Å; W234-I238 HydrophobicContact CZ2-CG2 3.37Å; W234-I238 HydrophobicContact CZ3-CG2 4.14Å; W234-I238 PolarHBondContact O-N 2.96Å; W234-I238 VanDerWaalsContact O-N 3.07Å; W234-P244 HydrophobicContact CH2-CG 3.93Å; W234-P244 HydrophobicContact CZ2-CG 4.01Å; W234-F248 HydrophobicContact CH2-CE1 4.18Å; W234-V260 HydrophobicContact CZ2-CG1 3.66Å; W234-V260 HydrophobicContact CZ2-CG2 4.24Å; W234-I304 HydrophobicContact CH2-CG2 4.01Å; W234-I304 HydrophobicContact CZ3-CG2 4.17Å
235	N	94.4	Very high	94.2	Very high	29 Å²	29	39.6 Å²	39.6	16%	0.155	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-46.4	177.5	-66.3	-21.8	0	0	0	111.5	I231 D232 Q233 V237 I238 E239	I231-N235 PolarHBondContact O-N 3.32Å; I231-N235 VanDerWaalsContact O-N 3.08Å; I231-N235 PolarHBondContact O-ND2 3.4Å; D232-N235 WeakPolarHBondContact O-CB 3.36Å; D232-N235 PolarHBondContact O-N 3.1Å; Q233-N235 VanDerWaalsContact C-N 3.34Å; Q233-N235 PolarHBondContact O-N 3.07Å; N235-V237 PolarHBondContact O-N 3.19Å; N235-I238 WeakPolarHBondContact O-CG1 3.37Å; N235-I238 PolarHBondContact O-N 2.82Å; N235-E239 VanDerWaalsContact O-CB 3.31Å; N235-E239 WeakPolarHBondContact O-CB 3.39Å; N235-E239 WeakPolarHBondContact O-CG 3.34Å; N235-E239 PolarHBondContact O-N 2.9Å
236	K	96.8	Very high	94	Very high	63 Å²	63	43.3 Å²	43.3	27%	0.274	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-33.1	177	-64.9	-57.1	173.8	-162.1	0	113.4	F225 D232 Q233 W234 E239 Q240	F225-K236 HydrophobicContact CB-CB 4.24Å; F225-K236 HydrophobicContact CD1-CB 4.46Å; F225-K236 WeakPolarHBondContact CD1-O 3.3Å; D232-K236 WeakPolarHBondContact O-CG 3.23Å; D232-K236 PolarHBondContact O-N 2.71Å; Q233-K236 PolarHBondContact O-N 2.82Å; W234-K236 PolarHBondContact O-N 3.25Å; K236-E239 IonicContact NZ-OE2 3.83Å; K236-Q240 PolarHBondContact O-NE2 2.77Å
237	V	97.6	Very high	93.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-70.1	-54.1	176.9	170.2	0	0	0	0	110.8	W209 F225 Q233 W234 N235 E239 Q240 L241 I304	W209-V237 HydrophobicContact CH2-CG1 3.77Å; W209-V237 HydrophobicContact CH2-CG2 4.41Å; W209-V237 HydrophobicContact CZ2-CG1 4.17Å; W209-V237 HydrophobicContact CZ2-CG2 3.98Å; F225-V237 HydrophobicContact CB-CG2 4.21Å; F225-V237 HydrophobicContact CD1-CB 4.47Å; F225-V237 HydrophobicContact CD1-CG2 3.9Å; F225-V237 HydrophobicContact CD2-CG2 4.15Å; F225-V237 HydrophobicContact CE1-CG2 4.31Å; F225-V237 HydrophobicContact CG-CG2 3.82Å; Q233-V237 WeakPolarHBondContact O-CG2 3.33Å; Q233-V237 PolarHBondContact O-N 3.43Å; W234-V237 HydrophobicContact CZ3-CG1 4.39Å; W234-V237 WeakPolarHBondContact O-CB 3.26Å; W234-V237 PolarHBondContact O-N 3Å; W234-V237 VanDerWaalsContact O-N 3.15Å; N235-V237 PolarHBondContact O-N 3.19Å; V237-E239 PolarHBondContact O-N 2.77Å; V237-Q240 PolarHBondContact O-N 3.35Å; V237-L241 HydrophobicContact CG1-CD1 4.22Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.07Å; V237-I304 HydrophobicContact CG1-CD1 3.96Å; V237-I304 HydrophobicContact CG1-CG1 4.02Å
238	I	96.7	Very high	94	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-28.6	-175.8	62.1	174.5	0	0	0	113.4	W234 N235 Q240 G242 R263 Y266 I304	W234-I238 HydrophobicContact CD2-CG2 4.07Å; W234-I238 HydrophobicContact CE3-CG2 4.33Å; W234-I238 HydrophobicContact CH2-CG2 3.69Å; W234-I238 HydrophobicContact CZ2-CG2 3.37Å; W234-I238 HydrophobicContact CZ3-CG2 4.14Å; W234-I238 PolarHBondContact O-N 2.96Å; W234-I238 VanDerWaalsContact O-N 3.07Å; N235-I238 WeakPolarHBondContact O-CG1 3.37Å; N235-I238 PolarHBondContact O-N 2.82Å; I238-Q240 PolarHBondContact O-N 3.11Å; I238-G242 CarbonylContact O-C 3.44Å; I238-G242 WeakPolarHBondContact O-CA 3.4Å; I238-G242 PolarHBondContact O-N 3.33Å; I238-R263 HydrophobicContact CD1-CB 4.09Å; I238-Y266 HydrophobicContact CB-CD2 4.37Å; I238-Y266 HydrophobicContact CD1-CD2 3.96Å; I238-Y266 HydrophobicContact CD1-CE2 4.06Å; I238-Y266 HydrophobicContact CG1-CD2 3.86Å; I238-Y266 HydrophobicContact CG1-CE2 4.13Å; I238-Y266 VanDerWaalsContact O-CB 3.25Å; I238-Y266 WeakPolarHBondContact O-CB 3.42Å; I238-I304 HydrophobicContact CG2-CD1 4.36Å
239	E	96.7	Very high	94.2	Very high	73 Å²	73	37 Å²	37	34%	0.341	19%	0.193	S	C	.	.	H	α-helix	trans	-60.3	-33.4	173.5	-78.7	167	-163.6	0	0	111.6	N235 K236 V237 Y266	N235-E239 VanDerWaalsContact O-CB 3.31Å; N235-E239 WeakPolarHBondContact O-CB 3.39Å; N235-E239 WeakPolarHBondContact O-CG 3.34Å; N235-E239 PolarHBondContact O-N 2.9Å; K236-E239 IonicContact NZ-OE2 3.83Å; V237-E239 PolarHBondContact O-N 2.77Å; E239-Y266 HydrophobicContact CG-CD1 4.38Å; E239-Y266 HydrophobicContact CG-CD2 4.35Å; E239-Y266 HydrophobicContact CG-CE1 3.92Å; E239-Y266 HydrophobicContact CG-CE2 3.86Å
240	Q	97.6	Very high	94.5	Very high	31 Å²	31	40.2 Å²	40.2	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-96.1	-43.5	-178.3	-75.5	-178.2	90.6	0	0	113.3	L224 F225 K236 V237 I238 L269 L274	L224-Q240 PolarHBondContact O-NE2 3.17Å; F225-Q240 HydrophobicContact CE1-CB 4.17Å; K236-Q240 PolarHBondContact O-NE2 2.77Å; V237-Q240 PolarHBondContact O-N 3.35Å; I238-Q240 PolarHBondContact O-N 3.11Å; Q240-L269 PolarHBondContact O-N 3.18Å; Q240-L274 HydrophobicContact CB-CD2 3.98Å; Q240-L274 HydrophobicContact CG-CD2 4.07Å
241	L	97.9	Very high	94.8	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-99.2	-7.2	-173.9	-59.1	-178.8	0	0	0	113.7	W209 F225 V237 F271 L274 L302 I304	W209-L241 HydrophobicContact CH2-CD1 3.56Å; W209-L241 HydrophobicContact CZ3-CD1 3.93Å; F225-L241 HydrophobicContact CZ-CD1 4.02Å; F225-L241 HydrophobicContact CZ-CG 4.3Å; V237-L241 HydrophobicContact CG1-CD1 4.22Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.07Å; L241-F271 HydrophobicContact CD2-CE2 4.49Å; L241-F271 HydrophobicContact CD2-CZ 4Å; L241-L274 HydrophobicContact CD2-CD1 3.93Å; L241-L302 HydrophobicContact CD1-CB 4.38Å; L241-L302 WeakPolarHBondContact CD1-O 3.13Å; L241-I304 HydrophobicContact CB-CD1 4.12Å; L241-I304 HydrophobicContact CB-CG1 4.41Å; L241-I304 HydrophobicContact CD1-CG1 4.21Å
242	G	96.9	Very high	94.9	Very high	4 Å²	4	38.8 Å²	38.8	4%	0.041	20%	0.196	C	C	.	.			trans	90.3	163.4	-178.6	0	0	0	0	0	113.6	I238 Y266 G268 I304	I238-G242 CarbonylContact O-C 3.44Å; I238-G242 WeakPolarHBondContact O-CA 3.4Å; I238-G242 PolarHBondContact O-N 3.33Å; G242-Y266 CarbonylContact C-O 3.58Å; G242-Y266 VanDerWaalsContact CA-O 3.28Å; G242-Y266 WeakPolarHBondContact CA-O 3.49Å; G242-G268 VanDerWaalsContact N-CA 3.32Å; G242-I304 WeakPolarHBondContact O-CD1 3.44Å
243	T	95.9	Very high	94.8	Very high	44 Å²	44	44 Å²	44	27%	0.27	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-69.7	129.6	175.1	-59.9	0	0	0	0	109.6	M249 K265 Y266	T243-M249 HydrophobicContact CG2-CE 3.41Å; T243-M249 VanDerWaalsContact CG2-CE 3.41Å; T243-K265 WeakPolarHBondContact OG1-CA 3.41Å; T243-Y266 PolarHBondContact N-O 2.75Å; T243-Y266 PolarHBondContact OG1-N 3.29Å
244	P	94.4	Very high	94.7	Very high	18 Å²	18	48.1 Å²	48.1	12%	0.117	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67.6	164.9	-176.4	30.5	-38.6	0	0	0	112.4	W234 F248 M249 I304	W234-P244 HydrophobicContact CH2-CG 3.93Å; W234-P244 HydrophobicContact CZ2-CG 4.01Å; P244-F248 HydrophobicContact CB-CB 4.11Å; P244-F248 HydrophobicContact CB-CD1 3.46Å; P244-F248 VanDerWaalsContact CB-CD1 3.46Å; P244-F248 HydrophobicContact CB-CE1 4.08Å; P244-F248 HydrophobicContact CB-CG 3.9Å; P244-F248 HydrophobicContact CG-CD1 3.5Å; P244-F248 VanDerWaalsContact CG-CD1 3.5Å; P244-F248 HydrophobicContact CG-CE1 3.83Å; P244-F248 HydrophobicContact CG-CG 4.43Å; P244-M249 HydrophobicContact CG-CE 4.01Å; P244-M249 HydrophobicContact CG-CG 4.46Å; P244-M249 WeakPolarHBondContact O-CE 3.28Å; P244-I304 HydrophobicContact CB-CG2 4.02Å; P244-I304 HydrophobicContact CG-CG2 4.5Å
245	S	94.3	Very high	94.5	Very high	35 Å²	35	53.2 Å²	53.2	25%	0.245	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-70.6	158.6	-176.6	81.3	0	0	0	0	112.8	E247 F248 M249	S245-E247 WeakPolarHBondContact CB-OE2 2.98Å; S245-E247 PolarHBondContact O-N 2.87Å; S245-E247 PolarHBondContact OG-OE2 2.75Å; S245-F248 WeakPolarHBondContact O-CB 3.1Å; S245-F248 PolarHBondContact O-N 3.06Å; S245-M249 PolarHBondContact O-N 3.1Å; S245-M249 VanDerWaalsContact O-N 3.16Å
246	P	93.4	Very high	94.2	Very high	81 Å²	81	53.6 Å²	53.6	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-31.8	176.7	-25.7	35.7	0	0	0	113.6	F248 M249 K250	P246-F248 VanDerWaalsContact C-N 3.32Å; P246-F248 PolarHBondContact O-N 2.67Å; P246-M249 PolarHBondContact O-N 3.04Å; P246-K250 WeakPolarHBondContact O-CG 3.21Å; P246-K250 PolarHBondContact O-N 3.37Å
247	E	94.3	Very high	94	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-37.3	176.7	-59.4	69.6	-143.7	0	0	111.8	S245	S245-E247 WeakPolarHBondContact CB-OE2 2.98Å; S245-E247 PolarHBondContact O-N 2.87Å; S245-E247 PolarHBondContact OG-OE2 2.75Å
248	F	94.4	Very high	93.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-47	172.8	172.3	-92.1	0	0	0	110.7	L198 M200 W234 P244 S245 P246 K250 K251 L252 I304 D305	L198-F248 HydrophobicContact CD1-CE1 4.09Å; L198-F248 HydrophobicContact CD1-CZ 3.93Å; M200-F248 HydrophobicContact CE-CD2 4.36Å; M200-F248 HydrophobicContact CE-CE2 3.81Å; M200-F248 HydrophobicContact CE-CZ 4.17Å; M200-F248 HydrophobicContact SD-CE2 3.87Å; M200-F248 HydrophobicContact SD-CZ 3.71Å; W234-F248 HydrophobicContact CH2-CE1 4.18Å; P244-F248 HydrophobicContact CB-CB 4.11Å; P244-F248 HydrophobicContact CB-CD1 3.46Å; P244-F248 VanDerWaalsContact CB-CD1 3.46Å; P244-F248 HydrophobicContact CB-CE1 4.08Å; P244-F248 HydrophobicContact CB-CG 3.9Å; P244-F248 HydrophobicContact CG-CD1 3.5Å; P244-F248 VanDerWaalsContact CG-CD1 3.5Å; P244-F248 HydrophobicContact CG-CE1 3.83Å; P244-F248 HydrophobicContact CG-CG 4.43Å; S245-F248 WeakPolarHBondContact O-CB 3.1Å; S245-F248 PolarHBondContact O-N 3.06Å; P246-F248 VanDerWaalsContact C-N 3.32Å; P246-F248 PolarHBondContact O-N 2.67Å; F248-K250 PolarHBondContact O-N 2.89Å; F248-K251 WeakPolarHBondContact O-CB 3.38Å; F248-K251 PolarHBondContact O-N 3.02Å; F248-L252 HydrophobicContact CE1-CD1 4.38Å; F248-L252 HydrophobicContact CE1-CD2 4.28Å; F248-L252 HydrophobicContact CZ-CD2 4.43Å; F248-I304 HydrophobicContact CD2-CG2 4.5Å; F248-I304 HydrophobicContact CE1-CG2 4.1Å; F248-I304 HydrophobicContact CE2-CG2 4.02Å; F248-I304 HydrophobicContact CZ-CG2 3.8Å; F248-D305 HydrophobicContact CB-CB 4.5Å; F248-D305 HydrophobicContact CD2-CB 3.89Å
249	M	93.1	Very high	93.2	Very high	17 Å²	17	61.4 Å²	61.4	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-32.5	-178	-64.5	-170.8	-179	0	0	112.9	T243 P244 S245 P246 K251 L252 R257 V260 E261	T243-M249 HydrophobicContact CG2-CE 3.41Å; T243-M249 VanDerWaalsContact CG2-CE 3.41Å; P244-M249 HydrophobicContact CG-CE 4.01Å; P244-M249 HydrophobicContact CG-CG 4.46Å; P244-M249 WeakPolarHBondContact O-CE 3.28Å; S245-M249 PolarHBondContact O-N 3.1Å; S245-M249 VanDerWaalsContact O-N 3.16Å; P246-M249 PolarHBondContact O-N 3.04Å; M249-K251 PolarHBondContact O-N 2.92Å; M249-L252 WeakPolarHBondContact O-CB 3.25Å; M249-L252 PolarHBondContact O-N 3.33Å; M249-L252 VanDerWaalsContact O-N 3.13Å; M249-R257 WeakPolarHBondContact O-CD 3.49Å; M249-V260 HydrophobicContact CE-CG1 4Å; M249-V260 HydrophobicContact SD-CG1 4.47Å; M249-E261 HydrophobicContact SD-CG 3.44Å; M249-E261 WeakPolarHBondContact SD-CG 3.46Å
250	K	93.4	Very high	92.9	Very high	140 Å²	140	58.1 Å²	58.1	61%	0.609	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.5	174.2	-75.9	173.6	-176	176.3	0	114	P246 F248 L252	P246-K250 WeakPolarHBondContact O-CG 3.21Å; P246-K250 PolarHBondContact O-N 3.37Å; F248-K250 PolarHBondContact O-N 2.89Å; K250-L252 VanDerWaalsContact C-N 3.3Å
251	K	93	Very high	92.5	Very high	106 Å²	106	60.3 Å²	60.3	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.6	178.7	-56.5	168.5	-172.4	169.8	0	112.7	M200 F248 M249 D305	M200-K251 HydrophobicContact CE-CB 3.77Å; M200-K251 HydrophobicContact CE-CD 4.45Å; F248-K251 WeakPolarHBondContact O-CB 3.38Å; F248-K251 PolarHBondContact O-N 3.02Å; M249-K251 PolarHBondContact O-N 2.92Å; K251-D305 VanDerWaalsContact NZ-CG 3.31Å; K251-D305 IonicContact NZ-OD1 2.9Å; K251-D305 PolarHBondContact NZ-OD1 2.87Å; K251-D305 IonicContact NZ-OD2 2.91Å; K251-D305 PolarHBondContact NZ-OD2 3.14Å
252	L	91.9	Very high	92.2	Very high	11 Å²	11	64.9 Å²	64.9	6%	0.058	34%	0.336	C	S	.	.	S	Bend	trans	-81.6	149.6	-177.6	-60.2	175.9	0	0	0	111.7	L198 M200 F248 M249 K250 V256 R257 V260	L198-L252 HydrophobicContact CB-CD2 4.1Å; L198-L252 HydrophobicContact CD1-CD2 3.89Å; M200-L252 HydrophobicContact CE-CD2 4.09Å; M200-L252 HydrophobicContact CG-CD2 3.69Å; M200-L252 HydrophobicContact SD-CD2 3.4Å; M200-L252 WeakPolarHBondContact SD-CD2 3.46Å; F248-L252 HydrophobicContact CE1-CD1 4.38Å; F248-L252 HydrophobicContact CE1-CD2 4.28Å; F248-L252 HydrophobicContact CZ-CD2 4.43Å; M249-L252 WeakPolarHBondContact O-CB 3.25Å; M249-L252 PolarHBondContact O-N 3.33Å; M249-L252 VanDerWaalsContact O-N 3.13Å; K250-L252 VanDerWaalsContact C-N 3.3Å; L252-V256 HydrophobicContact CD2-CG1 4.39Å; L252-R257 HydrophobicContact CB-CB 3.85Å; L252-R257 HydrophobicContact CB-CG 4.44Å; L252-V260 HydrophobicContact CD1-CB 4.01Å; L252-V260 HydrophobicContact CD1-CG1 4.22Å; L252-V260 HydrophobicContact CD1-CG2 3.91Å
253	Q	90.1	Very high	91.8	Very high	127 Å²	127	68.5 Å²	68.5	59%	0.593	35%	0.349	S	S	*	.			trans	-59.8	145.5	168.6	-71.7	-66	-14.1	0	0	110.7	T255 V256 R257	Q253-T255 VanDerWaalsContact C-N 3.31Å; Q253-T255 PolarHBondContact O-N 3.21Å; Q253-T255 VanDerWaalsContact O-N 3.14Å; Q253-V256 HydrophobicContact CB-CG2 4.32Å; Q253-V256 PolarHBondContact O-N 2.85Å; Q253-R257 WeakPolarHBondContact O-CB 3.48Å; Q253-R257 PolarHBondContact O-N 3.27Å
254	P	91.3	Very high	91.7	Very high	86 Å²	86	70 Å²	70	56%	0.558	36%	0.359	S	S	*	.	H	α-helix	trans	-53.1	-41.5	-171.1	-29.1	35.1	0	0	0	115	R257 N258	P254-R257 PolarHBondContact O-N 3.04Å; P254-N258 VanDerWaalsContact O-CG 3.31Å; P254-N258 PolarHBondContact O-N 2.61Å; P254-N258 PolarHBondContact O-ND2 3.37Å
255	T	89.7	Confident	91.7	Very high	110 Å²	110	78 Å²	78	68%	0.675	39%	0.392	S	S	*	.	H	α-helix	trans	-66.6	-45.6	178.6	49.1	0	0	0	0	112.2	Q253 Y259	Q253-T255 VanDerWaalsContact C-N 3.31Å; Q253-T255 PolarHBondContact O-N 3.21Å; Q253-T255 VanDerWaalsContact O-N 3.14Å; T255-Y259 PolarHBondContact O-N 3.08Å
256	V	89.6	Confident	91.8	Very high	36 Å²	36	80.2 Å²	80.2	22%	0.218	40%	0.395	C	S	.	.	H	α-helix	trans	-66.6	-39.7	177	-178.2	0	0	0	0	110.6	L198 L252 Q253 Y259 V260	L198-V256 HydrophobicContact CB-CG1 4.12Å; L198-V256 HydrophobicContact CD2-CG1 3.86Å; L252-V256 HydrophobicContact CD2-CG1 4.39Å; Q253-V256 HydrophobicContact CB-CG2 4.32Å; Q253-V256 PolarHBondContact O-N 2.85Å; V256-Y259 WeakPolarHBondContact O-CB 3.24Å; V256-Y259 PolarHBondContact O-N 3.45Å; V256-V260 HydrophobicContact CG1-CG2 4.33Å; V256-V260 WeakPolarHBondContact O-CG2 3.48Å; V256-V260 PolarHBondContact O-N 2.87Å
257	R	91.8	Very high	91.8	Very high	78 Å²	78	81.5 Å²	81.5	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-60.3	-52.1	177.5	-173.2	176.4	174	-176.5	-8.1	111.7	M249 L252 Q253 P254 Y259 V260 E261	M249-R257 WeakPolarHBondContact O-CD 3.49Å; L252-R257 HydrophobicContact CB-CB 3.85Å; L252-R257 HydrophobicContact CB-CG 4.44Å; Q253-R257 WeakPolarHBondContact O-CB 3.48Å; Q253-R257 PolarHBondContact O-N 3.27Å; P254-R257 PolarHBondContact O-N 3.04Å; R257-Y259 PolarHBondContact O-N 2.83Å; R257-V260 PolarHBondContact O-N 3.4Å; R257-V260 VanDerWaalsContact O-N 3.09Å; R257-E261 HydrophobicContact CG-CG 4.28Å; R257-E261 IonicContact CZ-OE1 3.3Å; R257-E261 VanDerWaalsContact CZ-OE1 3.3Å; R257-E261 IonicContact NE-OE1 2.75Å; R257-E261 PolarHBondContact NE-OE1 3.43Å; R257-E261 IonicContact NE-OE2 3.84Å; R257-E261 IonicContact NH2-OE1 2.94Å; R257-E261 PolarHBondContact NH2-OE1 3.2Å; R257-E261 WeakPolarHBondContact O-CB 3.46Å; R257-E261 PolarHBondContact O-N 2.96Å
258	N	90.7	Very high	91.9	Very high	95 Å²	95	77.9 Å²	77.9	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-56.9	-40.2	176.7	-74.7	-17.9	0	0	0	111.3	P254 N262	P254-N258 VanDerWaalsContact O-CG 3.31Å; P254-N258 PolarHBondContact O-N 2.61Å; P254-N258 PolarHBondContact O-ND2 3.37Å; N258-N262 WeakPolarHBondContact O-CB 3.48Å; N258-N262 VanDerWaalsContact O-CG 3.23Å; N258-N262 PolarHBondContact O-N 2.77Å; N258-N262 PolarHBondContact O-ND2 2.86Å
259	Y	87.8	Confident	92	Very high	58 Å²	58	81.2 Å²	81.2	23%	0.227	42%	0.421	C	S	.	.	H	α-helix	trans	-62.2	-47.2	175.3	169.2	-89.1	0	0	0	112.2	I231 T255 V256 R257 R263	I231-Y259 WeakPolarHBondContact CB-OH 3.31Å; I231-Y259 HydrophobicContact CD1-CE2 4.18Å; I231-Y259 HydrophobicContact CG1-CE2 3.94Å; I231-Y259 WeakPolarHBondContact CG1-OH 3.24Å; I231-Y259 HydrophobicContact CG2-CE2 4.41Å; I231-Y259 WeakPolarHBondContact CG2-OH 3.41Å; T255-Y259 PolarHBondContact O-N 3.08Å; V256-Y259 WeakPolarHBondContact O-CB 3.24Å; V256-Y259 PolarHBondContact O-N 3.45Å; R257-Y259 PolarHBondContact O-N 2.83Å; Y259-R263 PolarHBondContact OH-NE 2.71Å; Y259-R263 VanDerWaalsContact OH-NE 3.1Å; Y259-R263 PolarHBondContact OH-NH2 3.24Å
260	V	88.6	Confident	92.2	Very high	3 Å²	3	84.8 Å²	84.8	2%	0.018	44%	0.444	C	S	.	.	H	α-helix	trans	-68.8	-41.9	-178.7	171.7	0	0	0	0	111.9	L198 W234 M249 L252 V256 R257 N262 R263	L198-V260 HydrophobicContact CD2-CG2 3.99Å; W234-V260 HydrophobicContact CZ2-CG1 3.66Å; W234-V260 HydrophobicContact CZ2-CG2 4.24Å; M249-V260 HydrophobicContact CE-CG1 4Å; M249-V260 HydrophobicContact SD-CG1 4.47Å; L252-V260 HydrophobicContact CD1-CB 4.01Å; L252-V260 HydrophobicContact CD1-CG1 4.22Å; L252-V260 HydrophobicContact CD1-CG2 3.91Å; V256-V260 HydrophobicContact CG1-CG2 4.33Å; V256-V260 WeakPolarHBondContact O-CG2 3.48Å; V256-V260 PolarHBondContact O-N 2.87Å; R257-V260 PolarHBondContact O-N 3.4Å; R257-V260 VanDerWaalsContact O-N 3.09Å; V260-N262 VanDerWaalsContact C-N 3.29Å; V260-N262 PolarHBondContact O-N 3.32Å; V260-R263 WeakPolarHBondContact O-CB 3.37Å; V260-R263 PolarHBondContact O-N 2.86Å
261	E	90.1	Very high	92.4	Very high	77 Å²	77	79.9 Å²	79.9	36%	0.36	42%	0.423	S	S	.	.	H	α-helix	trans	-66.5	-29.9	-179.7	-77.8	178.3	171.1	0	0	112.6	M249 R257 R263	M249-E261 HydrophobicContact SD-CG 3.44Å; M249-E261 WeakPolarHBondContact SD-CG 3.46Å; R257-E261 HydrophobicContact CG-CG 4.28Å; R257-E261 IonicContact CZ-OE1 3.3Å; R257-E261 VanDerWaalsContact CZ-OE1 3.3Å; R257-E261 IonicContact NE-OE1 2.75Å; R257-E261 PolarHBondContact NE-OE1 3.43Å; R257-E261 IonicContact NE-OE2 3.84Å; R257-E261 IonicContact NH2-OE1 2.94Å; R257-E261 PolarHBondContact NH2-OE1 3.2Å; R257-E261 WeakPolarHBondContact O-CB 3.46Å; R257-E261 PolarHBondContact O-N 2.96Å; E261-R263 VanDerWaalsContact C-N 3.26Å; E261-R263 PolarHBondContact O-N 3.41Å
262	N	90.6	Very high	92.6	Very high	133 Å²	133	78.3 Å²	78.3	71%	0.711	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	4.5	177.8	-73.7	-36	0	0	0	114.1	N258 V260	N258-N262 WeakPolarHBondContact O-CB 3.48Å; N258-N262 VanDerWaalsContact O-CG 3.23Å; N258-N262 PolarHBondContact O-N 2.77Å; N258-N262 PolarHBondContact O-ND2 2.86Å; V260-N262 VanDerWaalsContact C-N 3.29Å; V260-N262 PolarHBondContact O-N 3.32Å
263	R	90.3	Very high	92.9	Very high	81 Å²	81	84.6 Å²	84.6	31%	0.306	45%	0.45	S	S	.	.	S	Bend	trans	-82.8	153.4	175.2	-68.8	-69.8	171.3	-142.3	14.6	111.6	I238 Y259 V260 E261 K265	I238-R263 HydrophobicContact CD1-CB 4.09Å; Y259-R263 PolarHBondContact OH-NE 2.71Å; Y259-R263 VanDerWaalsContact OH-NE 3.1Å; Y259-R263 PolarHBondContact OH-NH2 3.24Å; V260-R263 WeakPolarHBondContact O-CB 3.37Å; V260-R263 PolarHBondContact O-N 2.86Å; E261-R263 VanDerWaalsContact C-N 3.26Å; E261-R263 PolarHBondContact O-N 3.41Å; R263-K265 PolarHBondContact O-N 3.25Å
264	P	92.9	Very high	93.2	Very high	76 Å²	76	79 Å²	79	49%	0.494	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-52.7	137.8	171.6	-24.2	33.7	0	0	0	110.8	Y266	P264-Y266 HydrophobicContact CB-CE2 3.92Å; P264-Y266 WeakPolarHBondContact O-CD2 3.25Å; P264-Y266 WeakPolarHBondContact O-CE2 3.42Å; P264-Y266 PolarHBondContact O-N 3.37Å
265	K	93.8	Very high	93.5	Very high	185 Å²	185	75 Å²	75	80%	0.804	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-78.9	122.5	176.8	-68.4	-173.9	178.6	-180	0	109.4	T243 R263	T243-K265 WeakPolarHBondContact OG1-CA 3.41Å; R263-K265 PolarHBondContact O-N 3.25Å
266	Y	96.2	Very high	93.8	Very high	81 Å²	81	71.9 Å²	71.9	32%	0.318	38%	0.38	S	S	.	.			trans	-110.2	134.4	176.7	-63.7	-76.9	0	0	0	109.6	I238 E239 G242 T243 P264 G268	I238-Y266 HydrophobicContact CB-CD2 4.37Å; I238-Y266 HydrophobicContact CD1-CD2 3.96Å; I238-Y266 HydrophobicContact CD1-CE2 4.06Å; I238-Y266 HydrophobicContact CG1-CD2 3.86Å; I238-Y266 HydrophobicContact CG1-CE2 4.13Å; I238-Y266 VanDerWaalsContact O-CB 3.25Å; I238-Y266 WeakPolarHBondContact O-CB 3.42Å; E239-Y266 HydrophobicContact CG-CD1 4.38Å; E239-Y266 HydrophobicContact CG-CD2 4.35Å; E239-Y266 HydrophobicContact CG-CE1 3.92Å; E239-Y266 HydrophobicContact CG-CE2 3.86Å; G242-Y266 CarbonylContact C-O 3.58Å; G242-Y266 VanDerWaalsContact CA-O 3.28Å; G242-Y266 WeakPolarHBondContact CA-O 3.49Å; T243-Y266 PolarHBondContact N-O 2.75Å; T243-Y266 PolarHBondContact OG1-N 3.29Å; P264-Y266 HydrophobicContact CB-CE2 3.92Å; P264-Y266 WeakPolarHBondContact O-CD2 3.25Å; P264-Y266 WeakPolarHBondContact O-CE2 3.42Å; P264-Y266 PolarHBondContact O-N 3.37Å; Y266-G268 PolarHBondContact O-N 3Å
267	A	95.2	Very high	94	Very high	109 Å²	109	74.9 Å²	74.9	90%	0.901	40%	0.395	S	S	*	.			trans	-72.2	-20.8	174.5	0	0	0	0	0	112.7
268	G	95	Very high	94.1	Very high	27 Å²	27	76.6 Å²	76.6	28%	0.278	42%	0.417	S	S	.	.			trans	80.6	161.9	-170.4	0	0	0	0	0	112.5	G242 Y266	G242-G268 VanDerWaalsContact N-CA 3.32Å; Y266-G268 PolarHBondContact O-N 3Å
269	L	96.4	Very high	94.3	Very high	69 Å²	69	75 Å²	75	36%	0.361	41%	0.408	S	S	.	.			trans	-97	145.8	172.1	-59	-179.7	0	0	0	108.8	Q240 K273 L274	Q240-L269 PolarHBondContact O-N 3.18Å; L269-K273 HydrophobicContact CD2-CD 3.96Å; L269-L274 HydrophobicContact CB-CD1 4.4Å; L269-L274 HydrophobicContact CB-CD2 3.86Å; L269-L274 HydrophobicContact CB-CG 3.81Å; L269-L274 HydrophobicContact CD1-CD2 3.74Å; L269-L274 HydrophobicContact CG-CD2 4.34Å
270	T	97.8	Very high	94.5	Very high	93 Å²	93	72.9 Å²	72.9	57%	0.571	40%	0.4	S	S	*	.			trans	-68.6	150.2	172.4	61.1	0	0	0	0	110.2	P272 K273 L274	T270-P272 VanDerWaalsContact C-N 3.33Å; T270-K273 WeakPolarHBondContact O-CA 3.4Å; T270-K273 WeakPolarHBondContact O-CB 3.41Å; T270-K273 PolarHBondContact O-N 3.09Å; T270-L274 PolarHBondContact O-N 2.82Å
271	F	97.9	Very high	94.4	Very high	37 Å²	37	74.8 Å²	74.8	16%	0.162	41%	0.412	C	S	.	.	H	α-helix	trans	-57.7	-36.4	178.8	-83.2	-94.9	0	0	0	114.2	L241 K273 L274 F275 R295 L298 S299 L302	L241-F271 HydrophobicContact CD2-CE2 4.49Å; L241-F271 HydrophobicContact CD2-CZ 4Å; F271-K273 PolarHBondContact O-N 3.4Å; F271-L274 PolarHBondContact O-N 3.5Å; F271-F275 AromaticContact CD1-CD2 3.88Å; F271-F275 HydrophobicContact CD1-CD2 3.88Å; F271-F275 AromaticContact CD1-CE2 3.83Å; F271-F275 HydrophobicContact CD1-CE2 3.83Å; F271-F275 HydrophobicContact CE1-CE2 4.01Å; F271-F275 PolarHBondContact O-N 3.49Å; F271-R295 HydrophobicContact CB-CG 3.93Å; F271-L298 HydrophobicContact CD1-CB 4.13Å; F271-L298 HydrophobicContact CE1-CB 4.16Å; F271-L298 WeakPolarHBondContact CE1-O 3.35Å; F271-S299 VanDerWaalsContact CE1-CA 3.41Å; F271-S299 VanDerWaalsContact CZ-CA 3.45Å; F271-L302 HydrophobicContact CE1-CB 4.06Å; F271-L302 HydrophobicContact CE1-CD1 4.2Å; F271-L302 HydrophobicContact CZ-CB 3.94Å
272	P	97.3	Very high	94	Very high	73 Å²	73	73 Å²	73	47%	0.474	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-26	170.5	-25	34.7	0	0	0	114.2	T270 F275 P276	T270-P272 VanDerWaalsContact C-N 3.33Å; P272-F275 CarbonylContact O-C 3.44Å; P272-P276 WeakPolarHBondContact O-CA 3.46Å
273	K	97.3	Very high	93.8	Very high	143 Å²	143	73.3 Å²	73.3	62%	0.622	41%	0.413	S	S	*	.	H	α-helix	trans	-83.4	-33.4	174.8	-175.1	167	175.8	-178.9	0	112.4	L269 T270 F271	L269-K273 HydrophobicContact CD2-CD 3.96Å; T270-K273 WeakPolarHBondContact O-CA 3.4Å; T270-K273 WeakPolarHBondContact O-CB 3.41Å; T270-K273 PolarHBondContact O-N 3.09Å; F271-K273 PolarHBondContact O-N 3.4Å
274	L	97.1	Very high	93.7	Very high	9 Å²	9	71.5 Å²	71.5	5%	0.047	41%	0.412	C	S	.	.	H	α-helix	trans	-70.5	-38.8	173.4	-70.3	170.4	0	0	0	112	Q240 L241 L269 T270 F271	Q240-L274 HydrophobicContact CB-CD2 3.98Å; Q240-L274 HydrophobicContact CG-CD2 4.07Å; L241-L274 HydrophobicContact CD2-CD1 3.93Å; L269-L274 HydrophobicContact CB-CD1 4.4Å; L269-L274 HydrophobicContact CB-CD2 3.86Å; L269-L274 HydrophobicContact CB-CG 3.81Å; L269-L274 HydrophobicContact CD1-CD2 3.74Å; L269-L274 HydrophobicContact CG-CD2 4.34Å; T270-L274 PolarHBondContact O-N 2.82Å; F271-L274 PolarHBondContact O-N 3.5Å
275	F	97.6	Very high	93.5	Very high	3 Å²	3	74.5 Å²	74.5	1%	0.013	42%	0.42	C	S	.	.	S	Bend	trans	-130.9	74.1	-177.1	-52.7	-78.6	0	0	0	109.4	G216 V219 R220 L224 F271 P272 F280 R295 L298 L302	G216-F275 VanDerWaalsContact CA-CE1 3.46Å; V219-F275 HydrophobicContact CB-CD1 4.26Å; V219-F275 HydrophobicContact CG1-CD1 3.9Å; R220-F275 HydrophobicContact CG-CD1 3.82Å; R220-F275 HydrophobicContact CG-CE1 3.79Å; L224-F275 HydrophobicContact CD1-CZ 4.23Å; L224-F275 HydrophobicContact CD2-CE1 4.03Å; L224-F275 HydrophobicContact CD2-CZ 4.08Å; F271-F275 AromaticContact CD1-CD2 3.88Å; F271-F275 HydrophobicContact CD1-CD2 3.88Å; F271-F275 AromaticContact CD1-CE2 3.83Å; F271-F275 HydrophobicContact CD1-CE2 3.83Å; F271-F275 HydrophobicContact CE1-CE2 4.01Å; F271-F275 PolarHBondContact O-N 3.49Å; P272-F275 CarbonylContact O-C 3.44Å; F275-F280 HydrophobicContact CB-CE2 3.83Å; F275-F280 HydrophobicContact CB-CZ 3.99Å; F275-R295 VanDerWaalsContact O-CZ 3.25Å; F275-R295 PolarHBondContact O-NE 2.74Å; F275-R295 PolarHBondContact O-NH2 3.13Å; F275-L298 HydrophobicContact CD1-CD1 3.99Å; F275-L298 HydrophobicContact CD2-CD1 3.93Å; F275-L298 HydrophobicContact CE1-CD1 4.07Å; F275-L298 HydrophobicContact CE2-CB 4.38Å; F275-L298 HydrophobicContact CE2-CD1 4.01Å; F275-L298 HydrophobicContact CE2-CD2 4.43Å; F275-L298 HydrophobicContact CG-CD1 3.92Å; F275-L298 HydrophobicContact CZ-CD1 4.07Å; F275-L298 HydrophobicContact CZ-CD2 4.16Å; F275-L302 HydrophobicContact CE2-CD1 4.18Å; F275-L302 HydrophobicContact CZ-CD1 4.02Å
276	P	96.6	Very high	93.2	Very high	44 Å²	44	71.3 Å²	71.3	29%	0.286	41%	0.408	S	S	.	.			trans	-64.7	158.8	178.9	25.7	-33.5	0	0	0	112.2	P272 C278 L279	P272-P276 WeakPolarHBondContact O-CA 3.46Å; P276-C278 PolarHBondContact O-N 3.01Å; P276-C278 VanDerWaalsContact O-N 3.14Å; P276-L279 HydrophobicContact CG-CD1 4.12Å; P276-L279 HydrophobicContact CG-CG 4.03Å; P276-L279 PolarHBondContact O-N 3.49Å
277	D	92.9	Very high	93	Very high	99 Å²	99	69.1 Å²	69.1	53%	0.529	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.2	-176.8	-64.2	-35.4	0	0	0	112.7	L279 F280 R295	D277-L279 PolarHBondContact O-N 3.11Å; D277-L279 VanDerWaalsContact O-N 3.11Å; D277-F280 PolarHBondContact O-N 3.37Å; D277-R295 IonicContact OD1-CZ 3.64Å; D277-R295 VanDerWaalsContact OD1-CZ 3.22Å; D277-R295 IonicContact OD1-NH1 2.7Å; D277-R295 PolarHBondContact OD1-NH1 3.35Å; D277-R295 IonicContact OD1-NH2 3.19Å; D277-R295 PolarHBondContact OD1-NH2 3.34Å
278	C	93.4	Very high	92.8	Very high	113 Å²	113	68.9 Å²	68.9	76%	0.764	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-67	-8.7	178.1	68.3	0	0	0	0	114.8	P276	P276-C278 PolarHBondContact O-N 3.01Å; P276-C278 VanDerWaalsContact O-N 3.14Å
279	L	94.5	Very high	92.8	Very high	63 Å²	63	72.3 Å²	72.3	33%	0.33	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-94.3	-6.6	173.6	-60.4	-175.9	0	0	0	113.1	V219 R220 P276 D277	V219-L279 HydrophobicContact CG1-CB 3.79Å; V219-L279 HydrophobicContact CG1-CD1 4.3Å; R220-L279 HydrophobicContact CG-CD1 3.84Å; P276-L279 HydrophobicContact CG-CD1 4.12Å; P276-L279 HydrophobicContact CG-CG 4.03Å; P276-L279 PolarHBondContact O-N 3.49Å; D277-L279 PolarHBondContact O-N 3.11Å; D277-L279 VanDerWaalsContact O-N 3.11Å
280	F	93.1	Very high	92.8	Very high	12 Å²	12	70 Å²	70	5%	0.053	38%	0.379	C	S	.	.	S	Bend	trans	-109.2	147.9	179	-64.4	-81.2	0	0	0	110.1	H125 V219 F275 D277 A282 A291 A294 L298	H125-F280 AromaticContact CE1-CD1 3.81Å; V219-F280 HydrophobicContact CB-CE1 4.33Å; V219-F280 HydrophobicContact CG1-CD1 4.23Å; V219-F280 HydrophobicContact CG1-CE1 3.7Å; V219-F280 HydrophobicContact CG1-CE2 4.04Å; V219-F280 HydrophobicContact CG1-CZ 3.61Å; V219-F280 HydrophobicContact CG2-CD1 4.32Å; V219-F280 HydrophobicContact CG2-CE1 3.57Å; V219-F280 HydrophobicContact CG2-CZ 4.08Å; F275-F280 HydrophobicContact CB-CE2 3.83Å; F275-F280 HydrophobicContact CB-CZ 3.99Å; D277-F280 PolarHBondContact O-N 3.37Å; F280-A282 PolarHBondContact O-N 2.92Å; F280-A291 HydrophobicContact CB-CB 3.58Å; F280-A291 HydrophobicContact CD1-CB 4.31Å; F280-A291 HydrophobicContact CD2-CB 4.15Å; F280-A291 HydrophobicContact CG-CB 3.76Å; F280-A294 HydrophobicContact CD1-CB 4.34Å; F280-A294 HydrophobicContact CE1-CB 3.71Å; F280-A294 HydrophobicContact CZ-CB 4.37Å; F280-L298 HydrophobicContact CZ-CD1 4.48Å
281	P	87.3	Confident	92.7	Very high	43 Å²	43	65.7 Å²	65.7	28%	0.279	35%	0.352	S	S	.	.			trans	-55.9	123.8	163.1	-20	31.7	0	0	0	109.2	H125 N287	H125-P281 PolarHBondContact NE2-O 3.41Å; P281-N287 WeakPolarHBondContact O-CB 3.43Å
282	A	80.6	Confident	92.7	Very high	40 Å²	40	67.1 Å²	67.1	33%	0.331	37%	0.367	S	S	.	.			trans	-144.4	26.1	-173.5	0	0	0	0	0	113.3	F280 S284 K288	F280-A282 PolarHBondContact O-N 2.92Å; A282-S284 VanDerWaalsContact C-N 3.26Å; A282-S284 PolarHBondContact O-N 2.99Å; A282-K288 HydrophobicContact CB-CG 4.25Å
283	D	86.1	Confident	92.7	Very high	139 Å²	139	65.4 Å²	65.4	74%	0.743	35%	0.352	S	S	*	.	S	Bend	trans	-68	-17.9	179.1	61.6	-30.6	0	0	0	114.2	N287	D283-N287 PolarHBondContact OD1-ND2 3.22Å
284	S	88.8	Confident	92.8	Very high	43 Å²	43	58.6 Å²	58.6	30%	0.301	32%	0.323	S	S	.	.	S	Bend	trans	-134.9	160.2	178.2	69.7	0	0	0	0	112.7	A282 H286 N287 K288	A282-S284 VanDerWaalsContact C-N 3.26Å; A282-S284 PolarHBondContact O-N 2.99Å; S284-H286 PolarHBondContact O-N 3.4Å; S284-N287 PolarHBondContact O-N 2.89Å; S284-N287 VanDerWaalsContact O-N 3.09Å; S284-N287 WeakPolarHBondContact OG-CB 3.49Å; S284-N287 PolarHBondContact OG-N 2.82Å; S284-N287 VanDerWaalsContact OG-N 3.16Å; S284-N287 PolarHBondContact OG-ND2 2.91Å; S284-K288 PolarHBondContact O-N 3.38Å
285	E	88.3	Confident	92.8	Very high	139 Å²	139	59.6 Å²	59.6	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-60.1	-33.4	173.6	-69.1	-56.6	122.6	0	0	112.3	K288 L289	E285-K288 PolarHBondContact O-N 3.48Å; E285-K288 WeakPolarHBondContact OE1-CD 3.19Å; E285-K288 IonicContact OE1-NZ 3.22Å; E285-K288 PolarHBondContact OE1-NZ 3.46Å; E285-L289 PolarHBondContact O-N 2.68Å; E285-L289 VanDerWaalsContact O-N 3.07Å
286	H	88.8	Confident	92.9	Very high	119 Å²	119	62.4 Å²	62.4	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-60.8	-46.4	172.7	-176.3	83.1	0	0	0	111.3	S284 L289 K290	S284-H286 PolarHBondContact O-N 3.4Å; H286-L289 WeakPolarHBondContact O-CB 3.44Å; H286-L289 PolarHBondContact O-N 3.1Å; H286-K290 WeakPolarHBondContact O-CG 3.33Å; H286-K290 PolarHBondContact O-N 3.25Å
287	N	90.1	Very high	93	Very high	34 Å²	34	60.3 Å²	60.3	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-70.9	-32.7	-179.8	-73.9	-21.1	0	0	0	112.4	H125 P281 D283 S284 L289 K290 A291	H125-N287 PolarHBondContact NE2-O 3.45Å; P281-N287 WeakPolarHBondContact O-CB 3.43Å; D283-N287 PolarHBondContact OD1-ND2 3.22Å; S284-N287 PolarHBondContact O-N 2.89Å; S284-N287 VanDerWaalsContact O-N 3.09Å; S284-N287 WeakPolarHBondContact OG-CB 3.49Å; S284-N287 PolarHBondContact OG-N 2.82Å; S284-N287 VanDerWaalsContact OG-N 3.16Å; S284-N287 PolarHBondContact OG-ND2 2.91Å; N287-L289 PolarHBondContact O-N 3.15Å; N287-K290 PolarHBondContact O-N 2.99Å; N287-A291 WeakPolarHBondContact O-CB 3.37Å; N287-A291 PolarHBondContact O-N 3.05Å
288	K	92.1	Very high	93.3	Very high	105 Å²	105	55.6 Å²	55.6	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-42.6	169.5	-69.9	177.7	-171.9	168.2	0	112.7	A282 S284 E285 K290 A291 S292	A282-K288 HydrophobicContact CB-CG 4.25Å; S284-K288 PolarHBondContact O-N 3.38Å; E285-K288 PolarHBondContact O-N 3.48Å; E285-K288 WeakPolarHBondContact OE1-CD 3.19Å; E285-K288 IonicContact OE1-NZ 3.22Å; E285-K288 PolarHBondContact OE1-NZ 3.46Å; K288-K290 VanDerWaalsContact C-N 3.34Å; K288-A291 PolarHBondContact O-N 3.13Å; K288-S292 PolarHBondContact O-N 2.65Å; K288-S292 VanDerWaalsContact O-N 3.09Å
289	L	94.7	Very high	93.5	Very high	98 Å²	98	51.7 Å²	51.7	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-44	174	177.5	62.8	0	0	0	110.8	E285 H286 N287 A291 S292 Q293	E285-L289 PolarHBondContact O-N 2.68Å; E285-L289 VanDerWaalsContact O-N 3.07Å; H286-L289 WeakPolarHBondContact O-CB 3.44Å; H286-L289 PolarHBondContact O-N 3.1Å; N287-L289 PolarHBondContact O-N 3.15Å; L289-A291 PolarHBondContact O-N 2.9Å; L289-S292 WeakPolarHBondContact O-CB 3.48Å; L289-S292 PolarHBondContact O-N 3.47Å; L289-Q293 WeakPolarHBondContact O-CG 3.39Å; L289-Q293 PolarHBondContact O-N 3.36Å
290	K	95.8	Very high	93.7	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.096	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-38.5	177.5	-70.8	-73.1	175.2	-174.6	0	112.7	H125 H286 N287 K288 S292 Q293 A294 Y320	H125-K290 HydrophobicContact CB-CB 4Å; H125-K290 HydrophobicContact CB-CG 4.32Å; H125-K290 VanDerWaalsContact CD2-CB 3.45Å; H125-K290 WeakPolarHBondContact CD2-CB 3.26Å; H286-K290 WeakPolarHBondContact O-CG 3.33Å; H286-K290 PolarHBondContact O-N 3.25Å; N287-K290 PolarHBondContact O-N 2.99Å; K288-K290 VanDerWaalsContact C-N 3.34Å; K290-S292 VanDerWaalsContact C-N 3.35Å; K290-S292 PolarHBondContact O-N 3.43Å; K290-Q293 PolarHBondContact O-N 3.29Å; K290-A294 WeakPolarHBondContact O-CB 3.5Å; K290-A294 PolarHBondContact O-N 2.96Å; K290-Y320 HydrophobicContact CB-CE2 4.27Å; K290-Y320 HydrophobicContact CD-CD2 4.18Å; K290-Y320 HydrophobicContact CD-CE2 4.27Å; K290-Y320 WeakPolarHBondContact O-CE2 3.17Å
291	A	96.6	Very high	94	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-42.7	172.8	0	0	0	0	0	111.9	H125 F280 N287 K288 L289 A294 R295	H125-A291 PolarHBondContact CE1-N 3.45Å; H125-A291 PolarHBondContact NE2-N 3.5Å; F280-A291 HydrophobicContact CB-CB 3.58Å; F280-A291 HydrophobicContact CD1-CB 4.31Å; F280-A291 HydrophobicContact CD2-CB 4.15Å; F280-A291 HydrophobicContact CG-CB 3.76Å; N287-A291 WeakPolarHBondContact O-CB 3.37Å; N287-A291 PolarHBondContact O-N 3.05Å; K288-A291 PolarHBondContact O-N 3.13Å; L289-A291 PolarHBondContact O-N 2.9Å; A291-A294 PolarHBondContact O-N 3.2Å; A291-R295 WeakPolarHBondContact O-CB 3.47Å; A291-R295 PolarHBondContact O-N 3.27Å
292	S	97.2	Very high	94.5	Very high	67 Å²	67	50 Å²	50	47%	0.469	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-46.4	173.5	-176.9	0	0	0	0	111.8	K288 L289 K290 R295 D296	K288-S292 PolarHBondContact O-N 2.65Å; K288-S292 VanDerWaalsContact O-N 3.09Å; L289-S292 WeakPolarHBondContact O-CB 3.48Å; L289-S292 PolarHBondContact O-N 3.47Å; K290-S292 VanDerWaalsContact C-N 3.35Å; K290-S292 PolarHBondContact O-N 3.43Å; S292-R295 PolarHBondContact O-N 2.91Å; S292-D296 WeakPolarHBondContact O-CB 3.43Å; S292-D296 PolarHBondContact O-N 3.15Å
293	Q	98.3	Very high	95.4	Very high	37 Å²	37	50.4 Å²	50.4	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-41.7	176.6	-69.1	175.8	-7.2	0	0	112.3	L289 K290 R295 D296 L297 H318 P319 Y320	L289-Q293 WeakPolarHBondContact O-CG 3.39Å; L289-Q293 PolarHBondContact O-N 3.36Å; K290-Q293 PolarHBondContact O-N 3.29Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 3.39Å; Q293-D296 PolarHBondContact O-N 3.48Å; Q293-L297 PolarHBondContact O-N 3.49Å; Q293-H318 PolarHBondContact O-CE1 3.04Å; Q293-P319 HydrophobicContact CG-CB 4.39Å; Q293-Y320 HydrophobicContact CB-CD2 3.92Å; Q293-Y320 HydrophobicContact CB-CG 4.38Å
294	A	98.4	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-44.6	177.1	0	0	0	0	0	111.2	M215 F280 K290 A291 L297 L298 Y320	M215-A294 HydrophobicContact CE-CB 3.76Å; M215-A294 VanDerWaalsContact CE-O 3.25Å; M215-A294 WeakPolarHBondContact CE-O 3.39Å; F280-A294 HydrophobicContact CD1-CB 4.34Å; F280-A294 HydrophobicContact CE1-CB 3.71Å; F280-A294 HydrophobicContact CZ-CB 4.37Å; K290-A294 WeakPolarHBondContact O-CB 3.5Å; K290-A294 PolarHBondContact O-N 2.96Å; A291-A294 PolarHBondContact O-N 3.2Å; A294-L297 PolarHBondContact O-N 2.98Å; A294-L298 PolarHBondContact O-N 3.43Å; A294-Y320 HydrophobicContact CB-CD1 4.38Å; A294-Y320 HydrophobicContact CB-CD2 4.03Å; A294-Y320 HydrophobicContact CB-CE1 4.01Å; A294-Y320 HydrophobicContact CB-CE2 3.64Å; A294-Y320 HydrophobicContact CB-CG 4.39Å
295	R	98.4	Very high	96.3	Very high	30 Å²	30	43 Å²	43	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-39	177.7	-172.2	-176.8	-65.2	124.6	4.7	112.4	F271 F275 D277 A291 S292 Q293 L298 S299	F271-R295 HydrophobicContact CB-CG 3.93Å; F275-R295 VanDerWaalsContact O-CZ 3.25Å; F275-R295 PolarHBondContact O-NE 2.74Å; F275-R295 PolarHBondContact O-NH2 3.13Å; D277-R295 IonicContact OD1-CZ 3.64Å; D277-R295 VanDerWaalsContact OD1-CZ 3.22Å; D277-R295 IonicContact OD1-NH1 2.7Å; D277-R295 PolarHBondContact OD1-NH1 3.35Å; D277-R295 IonicContact OD1-NH2 3.19Å; D277-R295 PolarHBondContact OD1-NH2 3.34Å; A291-R295 WeakPolarHBondContact O-CB 3.47Å; A291-R295 PolarHBondContact O-N 3.27Å; S292-R295 PolarHBondContact O-N 2.91Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 3.39Å; R295-L298 PolarHBondContact O-N 3.23Å; R295-S299 PolarHBondContact O-N 3.26Å
296	D	98.8	Very high	96.7	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-45.5	174.1	-177.2	53.3	0	0	0	111	S292 Q293 L298 S299 K300 H318	S292-D296 WeakPolarHBondContact O-CB 3.43Å; S292-D296 PolarHBondContact O-N 3.15Å; Q293-D296 PolarHBondContact O-N 3.48Å; D296-L298 PolarHBondContact O-N 3.45Å; D296-S299 WeakPolarHBondContact O-CB 3.41Å; D296-S299 PolarHBondContact O-N 3.02Å; D296-S299 VanDerWaalsContact O-N 3.1Å; D296-S299 PolarHBondContact O-OG 3.12Å; D296-K300 WeakPolarHBondContact O-CG 3.4Å; D296-K300 PolarHBondContact O-N 3.4Å; D296-K300 VanDerWaalsContact O-N 3.15Å; D296-K300 WeakPolarHBondContact OD1-CE 3.26Å; D296-K300 IonicContact OD1-NZ 3.74Å; D296-K300 WeakPolarHBondContact OD2-CE 3.17Å; D296-K300 IonicContact OD2-NZ 2.91Å; D296-K300 PolarHBondContact OD2-NZ 3.34Å; D296-H318 IonicContact OD2-CE1 3.9Å; D296-H318 IonicContact OD2-NE2 2.66Å; D296-H318 PolarHBondContact OD2-NE2 3.03Å
297	L	98.8	Very high	97.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-47.1	175.4	-173.6	56.8	0	0	0	112.1	M215 Q293 A294 S299 K300 M301 I310 A315 H318 Y320 I321	M215-L297 HydrophobicContact CE-CB 4.44Å; M215-L297 HydrophobicContact CE-CD2 4.34Å; M215-L297 HydrophobicContact SD-CD2 4.13Å; M215-L297 HydrophobicContact SD-CG 4.35Å; Q293-L297 PolarHBondContact O-N 3.49Å; A294-L297 PolarHBondContact O-N 2.98Å; L297-S299 PolarHBondContact O-N 3.45Å; L297-K300 PolarHBondContact O-N 3.36Å; L297-M301 HydrophobicContact CD1-CE 3.72Å; L297-M301 HydrophobicContact CD1-CG 4.25Å; L297-M301 HydrophobicContact CD1-SD 4.4Å; L297-M301 HydrophobicContact CD2-CE 3.95Å; L297-M301 HydrophobicContact CG-CE 3.79Å; L297-M301 HydrophobicContact CG-CG 4.36Å; L297-M301 HydrophobicContact CG-SD 4.09Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 2.69Å; L297-I310 HydrophobicContact CD1-CD1 4.36Å; L297-A315 HydrophobicContact CD1-CB 4.47Å; L297-H318 HydrophobicContact CD1-CB 3.9Å; L297-Y320 HydrophobicContact CD2-CD1 4.05Å; L297-I321 HydrophobicContact CD2-CD1 3.83Å; L297-I321 HydrophobicContact CD2-CG1 3.61Å
298	L	98.8	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54.7	-41.6	174.2	-82.6	164.8	0	0	0	111.5	M215 F271 F275 F280 A294 R295 D296 K300 M301 L302	M215-L298 HydrophobicContact CB-CD2 3.91Å; M215-L298 HydrophobicContact CE-CD1 4.25Å; M215-L298 HydrophobicContact CE-CG 3.94Å; M215-L298 HydrophobicContact CG-CD1 4.42Å; M215-L298 HydrophobicContact CG-CD2 3.76Å; M215-L298 HydrophobicContact CG-CG 4.01Å; M215-L298 HydrophobicContact SD-CD2 3.92Å; M215-L298 HydrophobicContact SD-CG 3.73Å; F271-L298 HydrophobicContact CD1-CB 4.13Å; F271-L298 HydrophobicContact CE1-CB 4.16Å; F271-L298 WeakPolarHBondContact CE1-O 3.35Å; F275-L298 HydrophobicContact CD1-CD1 3.99Å; F275-L298 HydrophobicContact CD2-CD1 3.93Å; F275-L298 HydrophobicContact CE1-CD1 4.07Å; F275-L298 HydrophobicContact CE2-CB 4.38Å; F275-L298 HydrophobicContact CE2-CD1 4.01Å; F275-L298 HydrophobicContact CE2-CD2 4.43Å; F275-L298 HydrophobicContact CG-CD1 3.92Å; F275-L298 HydrophobicContact CZ-CD1 4.07Å; F275-L298 HydrophobicContact CZ-CD2 4.16Å; F280-L298 HydrophobicContact CZ-CD1 4.48Å; A294-L298 PolarHBondContact O-N 3.43Å; R295-L298 PolarHBondContact O-N 3.23Å; D296-L298 PolarHBondContact O-N 3.45Å; L298-K300 PolarHBondContact O-N 3.5Å; L298-M301 PolarHBondContact O-N 2.94Å; L298-L302 HydrophobicContact CD2-CD1 3.97Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 PolarHBondContact O-N 3.42Å
299	S	98.6	Very high	97.7	Very high	31 Å²	31	36 Å²	36	22%	0.217	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-26.9	179.2	84.6	0	0	0	0	114	F271 R295 D296 L297 I303	F271-S299 VanDerWaalsContact CE1-CA 3.41Å; F271-S299 VanDerWaalsContact CZ-CA 3.45Å; R295-S299 PolarHBondContact O-N 3.26Å; D296-S299 WeakPolarHBondContact O-CB 3.41Å; D296-S299 PolarHBondContact O-N 3.02Å; D296-S299 VanDerWaalsContact O-N 3.1Å; D296-S299 PolarHBondContact O-OG 3.12Å; L297-S299 PolarHBondContact O-N 3.45Å; S299-I303 WeakPolarHBondContact O-CD1 3.36Å; S299-I303 VanDerWaalsContact O-CG1 3.27Å; S299-I303 WeakPolarHBondContact O-CG1 3.22Å
300	K	98.8	Very high	97.9	Very high	79 Å²	79	32.2 Å²	32.2	34%	0.343	18%	0.176	S	C	.	.	H	α-helix	trans	-88.7	-28.5	178.4	-69	171.6	179.3	166.4	0	112.7	D296 L297 L298 I310	D296-K300 WeakPolarHBondContact O-CG 3.4Å; D296-K300 PolarHBondContact O-N 3.4Å; D296-K300 VanDerWaalsContact O-N 3.15Å; D296-K300 WeakPolarHBondContact OD1-CE 3.26Å; D296-K300 IonicContact OD1-NZ 3.74Å; D296-K300 WeakPolarHBondContact OD2-CE 3.17Å; D296-K300 IonicContact OD2-NZ 2.91Å; D296-K300 PolarHBondContact OD2-NZ 3.34Å; L297-K300 PolarHBondContact O-N 3.36Å; L298-K300 PolarHBondContact O-N 3.5Å; K300-I310 HydrophobicContact CB-CB 4Å; K300-I310 HydrophobicContact CB-CD1 4.1Å; K300-I310 HydrophobicContact CB-CG2 4.08Å; K300-I310 HydrophobicContact CD-CD1 4.18Å; K300-I310 WeakPolarHBondContact O-CG2 3.35Å; K300-I310 PolarHBondContact O-N 3.5Å; K300-I310 VanDerWaalsContact O-N 3.13Å
301	M	98.8	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-82.6	-44.5	177	-66.3	-174.3	166.1	0	0	113	L136 I208 V211 L297 L298 I303 R309 I310 A315	L136-M301 HydrophobicContact CD1-CE 4.37Å; L136-M301 HydrophobicContact CD2-CE 4.36Å; I208-M301 HydrophobicContact CG2-CB 3.95Å; I208-M301 HydrophobicContact CG2-CG 3.78Å; V211-M301 HydrophobicContact CB-SD 4.4Å; V211-M301 HydrophobicContact CG1-CE 3.96Å; V211-M301 HydrophobicContact CG1-SD 3.95Å; L297-M301 HydrophobicContact CD1-CE 3.72Å; L297-M301 HydrophobicContact CD1-CG 4.25Å; L297-M301 HydrophobicContact CD1-SD 4.4Å; L297-M301 HydrophobicContact CD2-CE 3.95Å; L297-M301 HydrophobicContact CG-CE 3.79Å; L297-M301 HydrophobicContact CG-CG 4.36Å; L297-M301 HydrophobicContact CG-SD 4.09Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 2.69Å; L298-M301 PolarHBondContact O-N 2.94Å; M301-I303 PolarHBondContact O-N 3.05Å; M301-R309 WeakPolarHBondContact O-CD 3.46Å; M301-R309 WeakPolarHBondContact O-CG 3.36Å; M301-I310 HydrophobicContact CG-CG2 3.87Å; M301-A315 HydrophobicContact CE-CB 3.94Å
302	L	98.7	Very high	98.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-84.9	55.3	-177.4	-66.9	176.6	0	0	0	111.7	L224 F225 L241 F271 F275 L298	L224-L302 HydrophobicContact CD1-CD1 3.71Å; L224-L302 HydrophobicContact CD1-CD2 4.36Å; F225-L302 HydrophobicContact CE2-CD2 4.19Å; L241-L302 HydrophobicContact CD1-CB 4.38Å; L241-L302 WeakPolarHBondContact CD1-O 3.13Å; F271-L302 HydrophobicContact CE1-CB 4.06Å; F271-L302 HydrophobicContact CE1-CD1 4.2Å; F271-L302 HydrophobicContact CZ-CB 3.94Å; F275-L302 HydrophobicContact CE2-CD1 4.18Å; F275-L302 HydrophobicContact CZ-CD1 4.02Å; L298-L302 HydrophobicContact CD2-CD1 3.97Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 PolarHBondContact O-N 3.42Å
303	I	98.4	Very high	98.2	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.246	19%	0.185	C	C	.	.			trans	-107.7	127.3	176.7	-64.3	-65.3	0	0	0	109.8	S299 M301 D305 K308 R309	S299-I303 WeakPolarHBondContact O-CD1 3.36Å; S299-I303 VanDerWaalsContact O-CG1 3.27Å; S299-I303 WeakPolarHBondContact O-CG1 3.22Å; M301-I303 PolarHBondContact O-N 3.05Å; I303-D305 WeakPolarHBondContact CG2-O 3.41Å; I303-K308 HydrophobicContact CG2-CB 3.81Å; I303-R309 HydrophobicContact CB-CB 4.08Å; I303-R309 HydrophobicContact CB-CG 4.29Å; I303-R309 HydrophobicContact CG2-CB 4.4Å; I303-R309 PolarHBondContact O-NE 3.05Å; I303-R309 PolarHBondContact O-NH2 2.95Å
304	I	97.9	Very high	98.2	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.072	20%	0.202	C	C	.	.	S	Bend	trans	-64.5	-49.2	-177.3	-64.9	175.2	0	0	0	111.6	P194 W209 W234 V237 I238 L241 G242 P244 F248 P306 R309	P194-I304 HydrophobicContact CB-CG2 4.09Å; P194-I304 HydrophobicContact CG-CB 4.47Å; P194-I304 HydrophobicContact CG-CG2 4.1Å; W209-I304 HydrophobicContact CH2-CG1 4.46Å; W209-I304 HydrophobicContact CZ3-CG1 4.42Å; W234-I304 HydrophobicContact CH2-CG2 4.01Å; W234-I304 HydrophobicContact CZ3-CG2 4.17Å; V237-I304 HydrophobicContact CG1-CD1 3.96Å; V237-I304 HydrophobicContact CG1-CG1 4.02Å; I238-I304 HydrophobicContact CG2-CD1 4.36Å; L241-I304 HydrophobicContact CB-CD1 4.12Å; L241-I304 HydrophobicContact CB-CG1 4.41Å; L241-I304 HydrophobicContact CD1-CG1 4.21Å; G242-I304 WeakPolarHBondContact O-CD1 3.44Å; P244-I304 HydrophobicContact CB-CG2 4.02Å; P244-I304 HydrophobicContact CG-CG2 4.5Å; F248-I304 HydrophobicContact CD2-CG2 4.5Å; F248-I304 HydrophobicContact CE1-CG2 4.1Å; F248-I304 HydrophobicContact CE2-CG2 4.02Å; F248-I304 HydrophobicContact CZ-CG2 3.8Å; I304-P306 VanDerWaalsContact O-CD 3.26Å; I304-P306 WeakPolarHBondContact O-CD 3.12Å; I304-R309 PolarHBondContact O-NH2 3.17Å
305	D	97.1	Very high	98.2	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.064	20%	0.202	C	C	.	.	S	Bend	trans	-75.7	114.7	-179.8	-170	-16.3	0	0	0	110.4	F248 K251 I303 A307 K308 R309	F248-D305 HydrophobicContact CB-CB 4.5Å; F248-D305 HydrophobicContact CD2-CB 3.89Å; K251-D305 VanDerWaalsContact NZ-CG 3.31Å; K251-D305 IonicContact NZ-OD1 2.9Å; K251-D305 PolarHBondContact NZ-OD1 2.87Å; K251-D305 IonicContact NZ-OD2 2.91Å; K251-D305 PolarHBondContact NZ-OD2 3.14Å; I303-D305 WeakPolarHBondContact CG2-O 3.41Å; D305-A307 PolarHBondContact O-N 2.8Å; D305-A307 VanDerWaalsContact O-N 3.07Å; D305-A307 WeakPolarHBondContact OD1-CB 3.27Å; D305-A307 PolarHBondContact OD1-N 2.71Å; D305-K308 HydrophobicContact CB-CD 4.41Å; D305-K308 HydrophobicContact CB-CG 4.39Å; D305-K308 PolarHBondContact O-N 3.17Å; D305-R309 PolarHBondContact O-N 3.14Å
306	P	96.6	Very high	98.2	Very high	21 Å²	21	36.3 Å²	36.3	14%	0.136	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.8	-24.7	-179.2	-22.7	35	0	0	0	112.9	E195 N205 I304 K308 R309	E195-P306 HydrophobicContact CB-CG 4.12Å; E195-P306 HydrophobicContact CG-CG 4.04Å; E195-P306 WeakPolarHBondContact OE2-CG 3.48Å; N205-P306 PolarHBondContact ND2-O 2.76Å; I304-P306 VanDerWaalsContact O-CD 3.26Å; I304-P306 WeakPolarHBondContact O-CD 3.12Å; P306-K308 PolarHBondContact O-N 3.31Å; P306-R309 PolarHBondContact O-N 3.05Å
307	A	95.9	Very high	98.2	Very high	82 Å²	82	38 Å²	38	68%	0.678	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-70.4	-16.3	177.8	0	0	0	0	0	113.6	D305	D305-A307 PolarHBondContact O-N 2.8Å; D305-A307 VanDerWaalsContact O-N 3.07Å; D305-A307 WeakPolarHBondContact OD1-CB 3.27Å; D305-A307 PolarHBondContact OD1-N 2.71Å
308	K	97.4	Very high	98.2	Very high	138 Å²	138	38.4 Å²	38.4	60%	0.6	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-111.9	-4.4	-179.9	-59.6	-178.8	-174.4	177.6	0	112.6	I303 D305 P306	I303-K308 HydrophobicContact CG2-CB 3.81Å; D305-K308 HydrophobicContact CB-CD 4.41Å; D305-K308 HydrophobicContact CB-CG 4.39Å; D305-K308 PolarHBondContact O-N 3.17Å; P306-K308 PolarHBondContact O-N 3.31Å
309	R	98.5	Very high	98.2	Very high	10 Å²	10	41.7 Å²	41.7	4%	0.038	23%	0.226	C	C	.	.	S	Bend	trans	-81.9	135.6	-178.9	-169.1	-174.6	-55.3	144.4	4	109.4	E195 N205 I208 M301 I303 I304 D305 P306	E195-R309 IonicContact OE1-CZ 3.56Å; E195-R309 IonicContact OE1-NH1 3.16Å; E195-R309 PolarHBondContact OE1-NH1 2.66Å; E195-R309 IonicContact OE1-NH2 3.41Å; E195-R309 PolarHBondContact OE1-NH2 2.82Å; E195-R309 IonicContact OE2-CZ 3.77Å; E195-R309 IonicContact OE2-NH1 3.83Å; E195-R309 IonicContact OE2-NH2 2.69Å; E195-R309 PolarHBondContact OE2-NH2 2.91Å; N205-R309 PolarHBondContact ND2-O 3.11Å; N205-R309 WeakPolarHBondContact O-CD 3.48Å; N205-R309 PolarHBondContact O-NH1 3.16Å; I208-R309 HydrophobicContact CG2-CG 4.05Å; M301-R309 WeakPolarHBondContact O-CD 3.46Å; M301-R309 WeakPolarHBondContact O-CG 3.36Å; I303-R309 HydrophobicContact CB-CB 4.08Å; I303-R309 HydrophobicContact CB-CG 4.29Å; I303-R309 HydrophobicContact CG2-CB 4.4Å; I303-R309 PolarHBondContact O-NE 3.05Å; I303-R309 PolarHBondContact O-NH2 2.95Å; I304-R309 PolarHBondContact O-NH2 3.17Å; D305-R309 PolarHBondContact O-N 3.14Å; P306-R309 PolarHBondContact O-N 3.05Å
310	I	98.8	Very high	98.2	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.087	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-52.4	141.6	177.9	-163.8	171.9	0	0	0	111.5	I208 L297 K300 M301 E314 A315	I208-I310 HydrophobicContact CG2-CG2 3.72Å; L297-I310 HydrophobicContact CD1-CD1 4.36Å; K300-I310 HydrophobicContact CB-CB 4Å; K300-I310 HydrophobicContact CB-CD1 4.1Å; K300-I310 HydrophobicContact CB-CG2 4.08Å; K300-I310 HydrophobicContact CD-CD1 4.18Å; K300-I310 WeakPolarHBondContact O-CG2 3.35Å; K300-I310 PolarHBondContact O-N 3.5Å; K300-I310 VanDerWaalsContact O-N 3.13Å; M301-I310 HydrophobicContact CG-CG2 3.87Å; I310-E314 HydrophobicContact CD1-CB 3.87Å; I310-E314 HydrophobicContact CG1-CB 3.38Å; I310-E314 HydrophobicContact CG1-CG 4.48Å; I310-A315 HydrophobicContact CD1-CB 4.14Å; I310-A315 HydrophobicContact CG1-CB 4.44Å; I310-A315 HydrophobicContact CG2-CB 4.46Å
311	S	98.6	Very high	98.2	Very high	38 Å²	38	36.4 Å²	36.4	27%	0.266	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-77.3	169.1	172	65.2	0	0	0	0	111.8	D313 E314 A315	S311-D313 VanDerWaalsContact C-N 3.33Å; S311-E314 WeakPolarHBondContact CB-OE2 3.33Å; S311-E314 PolarHBondContact N-OE2 3.03Å; S311-E314 WeakPolarHBondContact OG-CB 3.35Å; S311-E314 VanDerWaalsContact OG-CD 3.23Å; S311-E314 WeakPolarHBondContact OG-CG 3.46Å; S311-E314 PolarHBondContact OG-N 3.33Å; S311-E314 PolarHBondContact OG-OE2 2.78Å; S311-A315 WeakPolarHBondContact O-CB 3.43Å; S311-A315 PolarHBondContact O-N 2.86Å
312	V	98.3	Very high	98.2	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-42.1	174.9	-179.2	0	0	0	0	111.2	L136 I139 K140 I208 A315 L316	L136-V312 HydrophobicContact CD2-CG1 4.31Å; I139-V312 HydrophobicContact CG2-CG2 3.87Å; K140-V312 HydrophobicContact CB-CG1 3.82Å; I208-V312 HydrophobicContact CD1-CB 4.4Å; I208-V312 HydrophobicContact CD1-CG2 3.89Å; I208-V312 HydrophobicContact CG1-CG2 3.89Å; V312-A315 PolarHBondContact O-N 2.96Å; V312-L316 HydrophobicContact CG1-CD1 4.19Å; V312-L316 WeakPolarHBondContact O-CG 3.26Å; V312-L316 PolarHBondContact O-N 2.97Å
313	D	98.1	Very high	98.1	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-66	-45.5	-179.1	-65.7	-36.9	0	0	0	111.8	K140 S311 A315 L316 Q317	K140-D313 IonicContact NZ-OD1 3.06Å; K140-D313 PolarHBondContact NZ-OD1 2.9Å; K140-D313 IonicContact NZ-OD2 3.37Å; S311-D313 VanDerWaalsContact C-N 3.33Å; D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.28Å; D313-L316 PolarHBondContact O-N 2.5Å; D313-Q317 WeakPolarHBondContact O-CG 3.35Å; D313-Q317 PolarHBondContact O-N 2.98Å; D313-Q317 VanDerWaalsContact O-N 3.12Å
314	E	98.6	Very high	98.1	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-34.7	175.3	-69.5	164.4	140.2	0	0	112	I310 S311 Q317 H318	I310-E314 HydrophobicContact CD1-CB 3.87Å; I310-E314 HydrophobicContact CG1-CB 3.38Å; I310-E314 HydrophobicContact CG1-CG 4.48Å; S311-E314 WeakPolarHBondContact CB-OE2 3.33Å; S311-E314 PolarHBondContact N-OE2 3.03Å; S311-E314 WeakPolarHBondContact OG-CB 3.35Å; S311-E314 VanDerWaalsContact OG-CD 3.23Å; S311-E314 WeakPolarHBondContact OG-CG 3.46Å; S311-E314 PolarHBondContact OG-N 3.33Å; S311-E314 PolarHBondContact OG-OE2 2.78Å; E314-Q317 PolarHBondContact O-N 3.33Å; E314-H318 PolarHBondContact O-N 2.89Å; E314-H318 VanDerWaalsContact O-N 3.16Å
315	A	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-37.6	176.2	0	0	0	0	0	112.4	L136 I208 L297 M301 I310 S311 V312 D313 Q317 H318 I321	L136-A315 HydrophobicContact CD1-CB 3.96Å; L136-A315 HydrophobicContact CD2-CB 4.01Å; I208-A315 HydrophobicContact CD1-CB 4.16Å; L297-A315 HydrophobicContact CD1-CB 4.47Å; M301-A315 HydrophobicContact CE-CB 3.94Å; I310-A315 HydrophobicContact CD1-CB 4.14Å; I310-A315 HydrophobicContact CG1-CB 4.44Å; I310-A315 HydrophobicContact CG2-CB 4.46Å; S311-A315 WeakPolarHBondContact O-CB 3.43Å; S311-A315 PolarHBondContact O-N 2.86Å; V312-A315 PolarHBondContact O-N 2.96Å; D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.28Å; A315-Q317 VanDerWaalsContact C-N 3.29Å; A315-Q317 PolarHBondContact O-N 3.33Å; A315-H318 WeakPolarHBondContact O-CB 3.46Å; A315-H318 PolarHBondContact O-N 3.41Å; A315-I321 WeakPolarHBondContact O-CB 3.46Å
316	L	98.6	Very high	98.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-33.6	173.8	-76.8	164.8	0	0	0	112.3	Y133 L136 K140 V312 D313 H318 I321 N322 Y325 V330	Y133-L316 HydrophobicContact CD2-CD2 3.85Å; Y133-L316 HydrophobicContact CE2-CD2 4.07Å; L136-L316 HydrophobicContact CB-CD2 3.6Å; L136-L316 HydrophobicContact CB-CG 3.92Å; L136-L316 HydrophobicContact CD1-CD2 4.34Å; L136-L316 HydrophobicContact CD1-CG 4.47Å; K140-L316 HydrophobicContact CB-CD1 4.47Å; K140-L316 HydrophobicContact CD-CD1 3.7Å; V312-L316 HydrophobicContact CG1-CD1 4.19Å; V312-L316 WeakPolarHBondContact O-CG 3.26Å; V312-L316 PolarHBondContact O-N 2.97Å; D313-L316 PolarHBondContact O-N 2.5Å; L316-H318 VanDerWaalsContact C-N 3.28Å; L316-I321 HydrophobicContact CD2-CG2 4.32Å; L316-N322 WeakPolarHBondContact O-CA 3.38Å; L316-Y325 HydrophobicContact CB-CD2 4.32Å; L316-Y325 HydrophobicContact CB-CE2 4.27Å; L316-V330 HydrophobicContact CD1-CG1 3.87Å; L316-V330 HydrophobicContact CD1-CG2 4.41Å; L316-V330 HydrophobicContact CD2-CG2 4.31Å
317	Q	98.6	Very high	98.1	Very high	97 Å²	97	52 Å²	52	45%	0.453	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.8	175.6	-64.9	-59.3	-40.2	0	0	113.7	D313 E314 A315	D313-Q317 WeakPolarHBondContact O-CG 3.35Å; D313-Q317 PolarHBondContact O-N 2.98Å; D313-Q317 VanDerWaalsContact O-N 3.12Å; E314-Q317 PolarHBondContact O-N 3.33Å; A315-Q317 VanDerWaalsContact C-N 3.29Å; A315-Q317 PolarHBondContact O-N 3.33Å
318	H	98.8	Very high	98	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-65	138.4	-178.8	-169.1	-90.8	0	0	0	111.3	Q293 D296 L297 E314 A315 L316 Y320 I321 N322	Q293-H318 PolarHBondContact O-CE1 3.04Å; D296-H318 IonicContact OD2-CE1 3.9Å; D296-H318 IonicContact OD2-NE2 2.66Å; D296-H318 PolarHBondContact OD2-NE2 3.03Å; L297-H318 HydrophobicContact CD1-CB 3.9Å; E314-H318 PolarHBondContact O-N 2.89Å; E314-H318 VanDerWaalsContact O-N 3.16Å; A315-H318 WeakPolarHBondContact O-CB 3.46Å; A315-H318 PolarHBondContact O-N 3.41Å; L316-H318 VanDerWaalsContact C-N 3.28Å; H318-Y320 WeakPolarHBondContact ND1-CB 3.44Å; H318-Y320 PolarHBondContact ND1-N 3.1Å; H318-Y320 PolarHBondContact O-N 3.09Å; H318-I321 PolarHBondContact O-N 3.07Å; H318-N322 WeakPolarHBondContact O-CB 3.12Å; H318-N322 PolarHBondContact O-N 2.98Å
319	P	98.6	Very high	97.9	Very high	69 Å²	69	47.1 Å²	47.1	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.4	-176.8	-29	35.5	0	0	0	115.8	Q293 I321	Q293-P319 HydrophobicContact CG-CB 4.39Å; P319-I321 VanDerWaalsContact C-N 3.34Å
320	Y	98.6	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.6	174.5	-163.9	-115.2	0	0	0	113.2	H125 S129 L132 M215 K290 Q293 A294 L297 H318	H125-Y320 HydrophobicContact CB-CE2 4.23Å; H125-Y320 AromaticContact ND1-CE2 3.49Å; H125-Y320 WeakPolarHBondContact ND1-CE2 3.49Å; H125-Y320 AromaticContact ND1-CZ 3.63Å; H125-Y320 PolarHBondContact ND1-OH 3.16Å; S129-Y320 WeakPolarHBondContact CB-O 3.5Å; L132-Y320 HydrophobicContact CD1-CD1 4.48Å; L132-Y320 HydrophobicContact CD1-CE1 4.1Å; M215-Y320 HydrophobicContact CE-CD1 4.06Å; M215-Y320 HydrophobicContact CE-CE1 3.79Å; K290-Y320 HydrophobicContact CB-CE2 4.27Å; K290-Y320 HydrophobicContact CD-CD2 4.18Å; K290-Y320 HydrophobicContact CD-CE2 4.27Å; K290-Y320 WeakPolarHBondContact O-CE2 3.17Å; Q293-Y320 HydrophobicContact CB-CD2 3.92Å; Q293-Y320 HydrophobicContact CB-CG 4.38Å; A294-Y320 HydrophobicContact CB-CD1 4.38Å; A294-Y320 HydrophobicContact CB-CD2 4.03Å; A294-Y320 HydrophobicContact CB-CE1 4.01Å; A294-Y320 HydrophobicContact CB-CE2 3.64Å; A294-Y320 HydrophobicContact CB-CG 4.39Å; L297-Y320 HydrophobicContact CD2-CD1 4.05Å; H318-Y320 WeakPolarHBondContact ND1-CB 3.44Å; H318-Y320 PolarHBondContact ND1-N 3.1Å; H318-Y320 PolarHBondContact O-N 3.09Å
321	I	98.7	Very high	97.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-38.5	-172.6	-57.9	-57.5	0	0	0	111.8	L132 Y133 L136 L297 A315 L316 H318 P319 V323 W324	L132-I321 HydrophobicContact CB-CD1 3.66Å; L132-I321 HydrophobicContact CD1-CD1 4.23Å; Y133-I321 HydrophobicContact CD2-CG2 4Å; Y133-I321 HydrophobicContact CG-CG2 4.47Å; L136-I321 HydrophobicContact CD1-CG1 4.23Å; L136-I321 HydrophobicContact CD1-CG2 4.02Å; L297-I321 HydrophobicContact CD2-CD1 3.83Å; L297-I321 HydrophobicContact CD2-CG1 3.61Å; A315-I321 WeakPolarHBondContact O-CB 3.46Å; L316-I321 HydrophobicContact CD2-CG2 4.32Å; H318-I321 PolarHBondContact O-N 3.07Å; P319-I321 VanDerWaalsContact C-N 3.34Å; I321-V323 PolarHBondContact O-N 2.76Å; I321-W324 PolarHBondContact O-N 3.31Å
322	N	98.1	Very high	97.1	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.364	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-58.8	-18.3	-171.6	-170.7	29.4	0	0	0	114.1	L316 H318 W324 Y325	L316-N322 WeakPolarHBondContact O-CA 3.38Å; H318-N322 WeakPolarHBondContact O-CB 3.12Å; H318-N322 PolarHBondContact O-N 2.98Å; N322-W324 PolarHBondContact O-N 3.45Å; N322-W324 VanDerWaalsContact O-N 3.14Å; N322-Y325 WeakPolarHBondContact O-CB 3.41Å; N322-Y325 PolarHBondContact O-N 3.45Å; N322-Y325 VanDerWaalsContact O-N 3.1Å; N322-Y325 VanDerWaalsContact OD1-CB 3.27Å; N322-Y325 WeakPolarHBondContact OD1-CB 3.4Å
323	V	97.8	Very high	96.5	Very high	86 Å²	86	56.2 Å²	56.2	52%	0.521	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-59.7	-21.7	173.6	-59.8	0	0	0	0	113.3	I321	I321-V323 PolarHBondContact O-N 2.76Å
324	W	98.3	Very high	95.3	Very high	73 Å²	73	56.1 Å²	56.1	28%	0.277	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-101.5	-0.7	178.8	-56.3	113	0	0	0	113.7	E126 S129 Y130 Y133 I321 N322 D326	E126-W324 HydrophobicContact CB-CZ2 4.37Å; E126-W324 HydrophobicContact CG-CH2 3.87Å; E126-W324 HydrophobicContact CG-CZ2 3.75Å; S129-W324 PolarHBondContact OG-NE1 3.3Å; Y130-W324 HydrophobicContact CD2-CB 4.42Å; Y130-W324 AromaticContact CD2-CD2 3.7Å; Y130-W324 HydrophobicContact CD2-CD2 3.7Å; Y130-W324 AromaticContact CD2-CE3 3.84Å; Y130-W324 HydrophobicContact CD2-CE3 3.84Å; Y130-W324 AromaticContact CD2-CG 3.94Å; Y130-W324 HydrophobicContact CD2-CG 3.94Å; Y130-W324 HydrophobicContact CD2-CZ3 4.44Å; Y130-W324 HydrophobicContact CE2-CE3 4.35Å; Y130-W324 HydrophobicContact CG-CD2 4.33Å; Y133-W324 HydrophobicContact CD1-CB 3.55Å; Y133-W324 HydrophobicContact CD1-CG 4.32Å; Y133-W324 HydrophobicContact CD2-CB 3.81Å; Y133-W324 HydrophobicContact CE1-CB 3.95Å; Y133-W324 WeakPolarHBondContact CE1-O 3.47Å; Y133-W324 HydrophobicContact CE2-CB 4.19Å; Y133-W324 WeakPolarHBondContact CE2-O 3.47Å; Y133-W324 HydrophobicContact CG-CB 3.48Å; Y133-W324 VanDerWaalsContact CG-CB 3.48Å; Y133-W324 HydrophobicContact CG-CG 4.23Å; Y133-W324 PolarHBondContact OH-O 2.89Å; I321-W324 PolarHBondContact O-N 3.31Å; N322-W324 PolarHBondContact O-N 3.45Å; N322-W324 VanDerWaalsContact O-N 3.14Å; W324-D326 PolarHBondContact O-N 2.9Å; W324-D326 VanDerWaalsContact O-N 3.13Å
325	Y	97.8	Very high	94	Very high	65 Å²	65	51.2 Å²	51.2	26%	0.255	29%	0.29	S	S	.	.			trans	-63.3	116.9	-168	-170.9	-84.8	0	0	0	111.7	L316 N322 P327 V330	L316-Y325 HydrophobicContact CB-CD2 4.32Å; L316-Y325 HydrophobicContact CB-CE2 4.27Å; N322-Y325 WeakPolarHBondContact O-CB 3.41Å; N322-Y325 PolarHBondContact O-N 3.45Å; N322-Y325 VanDerWaalsContact O-N 3.1Å; N322-Y325 VanDerWaalsContact OD1-CB 3.27Å; N322-Y325 WeakPolarHBondContact OD1-CB 3.4Å; Y325-P327 HydrophobicContact CD1-CG 4.44Å; Y325-P327 HydrophobicContact CE1-CG 3.98Å; Y325-V330 HydrophobicContact CD2-CG2 3.93Å; Y325-V330 HydrophobicContact CE2-CB 4.08Å; Y325-V330 HydrophobicContact CE2-CG1 3.72Å; Y325-V330 HydrophobicContact CE2-CG2 3.72Å
326	D	97.6	Very high	92.8	Very high	64 Å²	64	58.8 Å²	58.8	34%	0.342	33%	0.325	S	S	.	.			trans	-122.4	117	171	-175.6	-16.1	0	0	0	109.5	Y133 W324 A328 E329 V330	Y133-D326 PolarHBondContact OH-N 3.06Å; W324-D326 PolarHBondContact O-N 2.9Å; W324-D326 VanDerWaalsContact O-N 3.13Å; D326-A328 PolarHBondContact O-N 3.28Å; D326-A328 WeakPolarHBondContact OD1-CB 3.5Å; D326-A328 PolarHBondContact OD1-N 3.43Å; D326-E329 HydrophobicContact CB-CB 4.26Å; D326-E329 HydrophobicContact CB-CG 3.83Å; D326-E329 PolarHBondContact O-N 3Å; D326-V330 WeakPolarHBondContact O-CB 3.28Å; D326-V330 WeakPolarHBondContact O-CG2 3.41Å; D326-V330 PolarHBondContact O-N 3.07Å
327	P	95.9	Very high	91.2	Very high	69 Å²	69	65.7 Å²	65.7	45%	0.448	36%	0.36	S	S	.	.	H	α-helix	trans	-53.7	-35.3	176	-23.5	31.1	0	0	0	113.8	Y325 E329 V330 E331	Y325-P327 HydrophobicContact CD1-CG 4.44Å; Y325-P327 HydrophobicContact CE1-CG 3.98Å; P327-E329 PolarHBondContact O-N 3.28Å; P327-V330 PolarHBondContact O-N 2.9Å; P327-E331 WeakPolarHBondContact O-CA 3.44Å; P327-E331 VanDerWaalsContact O-CB 3.28Å; P327-E331 WeakPolarHBondContact O-CB 3.44Å; P327-E331 PolarHBondContact O-N 2.7Å
328	A	94.6	Very high	89.8	Confident	74 Å²	74	61.5 Å²	61.5	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-65.6	-27	-179.2	0	0	0	0	0	112.4	D326	D326-A328 PolarHBondContact O-N 3.28Å; D326-A328 WeakPolarHBondContact OD1-CB 3.5Å; D326-A328 PolarHBondContact OD1-N 3.43Å
329	E	94.8	Very high	88.4	Confident	44 Å²	44	64.1 Å²	64.1	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-91.1	-44	178.8	-53.8	-177.1	163.8	0	0	110.9	H82 K83 Y133 D326 P327	H82-E329 PolarHBondContact NE2-O 3.1Å; H82-E329 VanDerWaalsContact NE2-O 3.08Å; K83-E329 WeakPolarHBondContact CE-OE1 3.25Å; K83-E329 WeakPolarHBondContact CE-OE2 3.27Å; K83-E329 IonicContact NZ-OE1 3.08Å; K83-E329 PolarHBondContact NZ-OE1 3.02Å; K83-E329 IonicContact NZ-OE2 3.96Å; K83-E329 PolarHBondContact NZ-OE2 2.96Å; Y133-E329 WeakPolarHBondContact CE1-OE2 3.41Å; Y133-E329 WeakPolarHBondContact OH-CB 3.5Å; Y133-E329 PolarHBondContact OH-OE2 3.01Å; D326-E329 HydrophobicContact CB-CB 4.26Å; D326-E329 HydrophobicContact CB-CG 3.83Å; D326-E329 PolarHBondContact O-N 3Å; P327-E329 PolarHBondContact O-N 3.28Å
330	V	95.2	Very high	86.9	Confident	7 Å²	7	66 Å²	66	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-71.6	-38.9	-177	171.6	0	0	0	0	112	Y133 K140 L316 Y325 D326 P327	Y133-V330 HydrophobicContact CE2-CG2 3.96Å; K140-V330 HydrophobicContact CD-CG1 3.62Å; K140-V330 VanDerWaalsContact CD-O 3.27Å; K140-V330 WeakPolarHBondContact CD-O 3.4Å; K140-V330 WeakPolarHBondContact CE-O 3.33Å; L316-V330 HydrophobicContact CD1-CG1 3.87Å; L316-V330 HydrophobicContact CD1-CG2 4.41Å; L316-V330 HydrophobicContact CD2-CG2 4.31Å; Y325-V330 HydrophobicContact CD2-CG2 3.93Å; Y325-V330 HydrophobicContact CE2-CB 4.08Å; Y325-V330 HydrophobicContact CE2-CG1 3.72Å; Y325-V330 HydrophobicContact CE2-CG2 3.72Å; D326-V330 WeakPolarHBondContact O-CB 3.28Å; D326-V330 WeakPolarHBondContact O-CG2 3.41Å; D326-V330 PolarHBondContact O-N 3.07Å; P327-V330 PolarHBondContact O-N 2.9Å
331	E	92.9	Very high	85.4	Confident	131 Å²	131	71.2 Å²	71.2	61%	0.612	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	21.6	-175.9	-51.4	-173.5	169.5	0	0	112.2	P327	P327-E331 WeakPolarHBondContact O-CA 3.44Å; P327-E331 VanDerWaalsContact O-CB 3.28Å; P327-E331 WeakPolarHBondContact O-CB 3.44Å; P327-E331 PolarHBondContact O-N 2.7Å
332	A	90.5	Very high	83.9	Confident	20 Å²	20	72.3 Å²	72.3	17%	0.165	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-49.9	134.2	174.5	0	0	0	0	0	110.4
333	P	85.7	Confident	82.3	Confident	108 Å²	108	69.8 Å²	69.8	70%	0.701	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-55.4	135.8	-170.4	19.1	-30.7	0	0	0	110.8	H141	H141-P333 PolarHBondContact CE1-O 2.81Å
334	P	73.8	Confident	81.1	Confident	81 Å²	81	72.3 Å²	72.3	53%	0.526	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-60.9	148.6	-174.1	26.2	-34.9	0	0	0	109.8	S144	S144-P334 WeakPolarHBondContact OG-CB 3.18Å
335	P	70.9	Confident	80.1	Confident	11 Å²	11	73.3 Å²	73.3	7%	0.071	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.9	167.4	174.3	19.9	-15.7	0	0	0	110.9	C79 V80 H141 A145 I337	C79-P335 WeakPolarHBondContact O-CB 3.39Å; V80-P335 HydrophobicContact CB-CB 4.5Å; V80-P335 HydrophobicContact CB-CG 4.46Å; V80-P335 HydrophobicContact CG2-CB 4.29Å; V80-P335 HydrophobicContact CG2-CG 3.99Å; H141-P335 WeakPolarHBondContact NE2-CD 3.44Å; A145-P335 HydrophobicContact CB-CG 3.44Å; A145-P335 VanDerWaalsContact CB-CG 3.44Å; P335-I337 PolarHBondContact O-N 3.23Å
336	Q	72.3	Confident	79.3	Confident	159 Å²	159	76.4 Å²	76.4	74%	0.743	40%	0.399	S	S	*	.	S	Bend	trans	-49.8	124.6	172.2	-88.3	-173.9	-16.2	0	0	109	Y338	Q336-Y338 PolarHBondContact O-N 3.31Å; Q336-Y338 VanDerWaalsContact O-N 3.12Å
337	I	66.3	Low	78.8	Confident	145 Å²	145	75.5 Å²	75.5	74%	0.744	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-52.3	122.8	-173.6	-62.7	174.3	0	0	0	108.3	P335 D339	P335-I337 PolarHBondContact O-N 3.23Å; I337-D339 PolarHBondContact O-N 3.27Å
338	Y	68.4	Low	78.7	Confident	9 Å²	9	74.4 Å²	74.4	4%	0.035	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.5	120.5	176.3	178.9	-103.9	0	0	0	108.9	R72 V75 L76 I147 T175 Q336 K340 L342 D343	R72-Y338 WeakPolarHBondContact CD-OH 3.14Å; R72-Y338 HydrophobicContact CG-CE2 4.1Å; R72-Y338 VanDerWaalsContact CG-OH 3.26Å; R72-Y338 WeakPolarHBondContact CG-OH 3.28Å; V75-Y338 HydrophobicContact CG1-CD2 4.37Å; V75-Y338 HydrophobicContact CG1-CE2 4.25Å; L76-Y338 HydrophobicContact CD2-CD2 3.26Å; L76-Y338 HydrophobicContact CD2-CE2 3.61Å; L76-Y338 HydrophobicContact CD2-CG 3.83Å; L76-Y338 HydrophobicContact CG-CD2 4.13Å; L76-Y338 HydrophobicContact CG-CE2 4Å; I147-Y338 HydrophobicContact CG1-CG 4.39Å; T175-Y338 WeakPolarHBondContact OG1-CD1 3.48Å; T175-Y338 WeakPolarHBondContact OG1-CE1 3.44Å; Q336-Y338 PolarHBondContact O-N 3.31Å; Q336-Y338 VanDerWaalsContact O-N 3.12Å; Y338-K340 PolarHBondContact O-N 2.87Å; Y338-L342 HydrophobicContact CD2-CD1 4.32Å; Y338-L342 HydrophobicContact CE2-CB 4.41Å; Y338-L342 HydrophobicContact CE2-CD1 3.84Å; Y338-D343 PolarHBondContact OH-OD1 2.82Å
339	D	70.8	Confident	78.7	Confident	63 Å²	63	73.5 Å²	73.5	34%	0.337	37%	0.371	S	S	.	.			trans	-63.4	107	178.2	175.6	12.4	0	0	0	109.1	I337 Q341 L342 R345	I337-D339 PolarHBondContact O-N 3.27Å; D339-Q341 PolarHBondContact O-N 2.97Å; D339-Q341 VanDerWaalsContact O-N 3.08Å; D339-Q341 VanDerWaalsContact OD1-CB 3.24Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.41Å; D339-Q341 WeakPolarHBondContact OD1-CG 3.25Å; D339-Q341 PolarHBondContact OD1-N 2.8Å; D339-L342 HydrophobicContact CB-CD1 3.94Å; D339-L342 HydrophobicContact CB-CG 3.98Å; D339-L342 WeakPolarHBondContact O-CB 3.15Å; D339-L342 WeakPolarHBondContact O-CG 3.5Å; D339-L342 PolarHBondContact O-N 2.87Å; D339-R345 IonicContact OD2-CZ 2.71Å; D339-R345 IonicContact OD2-NH1 2.65Å; D339-R345 IonicContact OD2-NH2 2.86Å; D339-R345 PolarHBondContact OD2-NH2 2.93Å
340	K	67.3	Low	78.7	Confident	109 Å²	109	76.8 Å²	76.8	47%	0.474	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.2	-180	-53.2	-161.4	161.9	-167.3	0	112	T175 Y338 L342 D343	T175-K340 HydrophobicContact CG2-CB 3.89Å; T175-K340 HydrophobicContact CG2-CD 3.36Å; T175-K340 HydrophobicContact CG2-CG 3.37Å; Y338-K340 PolarHBondContact O-N 2.87Å; K340-L342 PolarHBondContact O-N 2.96Å; K340-D343 PolarHBondContact O-N 2.75Å
341	Q	65.5	Low	78.6	Confident	110 Å²	110	80.8 Å²	80.8	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-21	179.2	-58.5	-177.8	-5.4	0	0	112.3	D339 D343 E344 R345	D339-Q341 PolarHBondContact O-N 2.97Å; D339-Q341 VanDerWaalsContact O-N 3.08Å; D339-Q341 VanDerWaalsContact OD1-CB 3.24Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.41Å; D339-Q341 WeakPolarHBondContact OD1-CG 3.25Å; D339-Q341 PolarHBondContact OD1-N 2.8Å; Q341-D343 VanDerWaalsContact C-N 3.26Å; Q341-D343 PolarHBondContact O-N 3.17Å; Q341-E344 PolarHBondContact O-N 2.98Å; Q341-R345 WeakPolarHBondContact O-CG 3.42Å; Q341-R345 PolarHBondContact O-N 3.14Å
342	L	67.8	Low	78.7	Confident	22 Å²	22	74.6 Å²	74.6	12%	0.115	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-32.6	174.8	-70	170.8	0	0	0	112.6	Y71 V75 Y338 D339 K340	Y71-L342 HydrophobicContact CE1-CD2 3.9Å; V75-L342 HydrophobicContact CG1-CD1 4.16Å; Y338-L342 HydrophobicContact CD2-CD1 4.32Å; Y338-L342 HydrophobicContact CE2-CB 4.41Å; Y338-L342 HydrophobicContact CE2-CD1 3.84Å; D339-L342 HydrophobicContact CB-CD1 3.94Å; D339-L342 HydrophobicContact CB-CG 3.98Å; D339-L342 WeakPolarHBondContact O-CB 3.15Å; D339-L342 WeakPolarHBondContact O-CG 3.5Å; D339-L342 PolarHBondContact O-N 2.87Å; K340-L342 PolarHBondContact O-N 2.96Å
343	D	65.1	Low	78.9	Confident	16 Å²	16	75.1 Å²	75.1	9%	0.086	38%	0.378	C	S	.	.	H	α-helix	trans	-77.3	-26.2	177.4	-79.1	-26.9	0	0	0	111.9	K68 R72 T175 Y338 K340 Q341	K68-D343 VanDerWaalsContact CE-O 3.24Å; K68-D343 WeakPolarHBondContact CE-O 3.41Å; K68-D343 PolarHBondContact NZ-O 3.5Å; R72-D343 WeakPolarHBondContact CD-OD1 2.85Å; R72-D343 IonicContact NH1-OD1 2.66Å; R72-D343 PolarHBondContact NH1-OD1 2.82Å; R72-D343 VanDerWaalsContact NH1-OD1 3.08Å; R72-D343 IonicContact NH1-OD2 3.5Å; T175-D343 PolarHBondContact N-OD2 2.91Å; T175-D343 PolarHBondContact OG1-OD2 3.47Å; Y338-D343 PolarHBondContact OH-OD1 2.82Å; K340-D343 PolarHBondContact O-N 2.75Å; Q341-D343 VanDerWaalsContact C-N 3.26Å; Q341-D343 PolarHBondContact O-N 3.17Å
344	E	71.5	Confident	79.4	Confident	138 Å²	138	73.8 Å²	73.8	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-91	-23.6	-176.4	-66.2	-179.8	175	0	0	113.6	Q341 E346	Q341-E344 PolarHBondContact O-N 2.98Å; E344-E346 PolarHBondContact O-N 3.24Å
345	R	77.1	Confident	80.4	Confident	94 Å²	94	72.2 Å²	72.2	36%	0.355	35%	0.349	S	S	.	.			trans	-66.4	129.8	176.3	-71.6	167.3	-161.6	166.5	14.6	110.4	K68 D339 Q341	K68-R345 PolarHBondContact NZ-O 3.22Å; D339-R345 IonicContact OD2-CZ 2.71Å; D339-R345 IonicContact OD2-NH1 2.65Å; D339-R345 IonicContact OD2-NH2 2.86Å; D339-R345 PolarHBondContact OD2-NH2 2.93Å; Q341-R345 WeakPolarHBondContact O-CG 3.42Å; Q341-R345 PolarHBondContact O-N 3.14Å
346	E	82.2	Confident	81.5	Confident	130 Å²	130	71.8 Å²	71.8	61%	0.607	35%	0.346	S	S	*	.			trans	-103.9	126.8	168.2	-69	-60	137.3	0	0	107.6	K68 E344	K68-E346 IonicContact NZ-OE1 3.95Å; K68-E346 PolarHBondContact NZ-OE1 3.47Å; E344-E346 PolarHBondContact O-N 3.24Å
347	H	87.4	Confident	82.6	Confident	46 Å²	46	66 Å²	66	21%	0.213	32%	0.318	C	S	.	.			trans	-128	152	-178.6	-71.3	-64.9	0	0	0	109.7	E351 W352	H347-E351 WeakPolarHBondContact CA-OE2 3.5Å; H347-E351 HydrophobicContact CB-CB 3.86Å; H347-E351 WeakPolarHBondContact CB-OE2 3.31Å; H347-E351 IonicContact CG-OE2 3.04Å; H347-E351 IonicContact ND1-OE2 2.61Å; H347-E351 PolarHBondContact ND1-OE2 3.47Å; H347-E351 VanDerWaalsContact ND1-OE2 3.16Å; H347-W352 HydrophobicContact CB-CD2 3.94Å; H347-W352 HydrophobicContact CB-CG 4.04Å; H347-W352 HydrophobicContact CB-CZ2 4.11Å; H347-W352 AromaticContact CD2-CE2 3.97Å; H347-W352 AromaticContact CD2-CH2 3.6Å; H347-W352 AromaticContact CD2-CZ2 3.62Å; H347-W352 AromaticContact CD2-CZ3 3.93Å; H347-W352 PolarHBondContact O-NE1 2.99Å
348	S	93.7	Very high	83.9	Confident	45 Å²	45	64 Å²	64	32%	0.315	30%	0.304	S	S	.	.			trans	-64.3	164.7	168.4	78.9	0	0	0	0	110.7	D350 E351 W352	S348-D350 PolarHBondContact O-N 2.8Å; S348-E351 PolarHBondContact N-OE2 3.26Å; S348-E351 PolarHBondContact O-N 3.33Å; S348-E351 VanDerWaalsContact OG-CG 3.31Å; S348-E351 WeakPolarHBondContact OG-CG 3.11Å; S348-E351 PolarHBondContact OG-N 3.26Å; S348-E351 VanDerWaalsContact OG-N 3.15Å; S348-W352 VanDerWaalsContact O-CD1 3.27Å; S348-W352 PolarHBondContact O-N 3.45Å
349	I	94.1	Very high	85	Confident	56 Å²	56	65.6 Å²	65.6	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-39	177.3	-63.9	172.8	0	0	0	110.4	F61 Q64 W352 K353	F61-I349 HydrophobicContact CB-CG2 3.99Å; F61-I349 VanDerWaalsContact O-CG2 3.25Å; F61-I349 WeakPolarHBondContact O-CG2 3.26Å; Q64-I349 HydrophobicContact CG-CG1 3.89Å; I349-W352 PolarHBondContact O-N 3.37Å; I349-K353 VanDerWaalsContact O-CB 3.29Å; I349-K353 WeakPolarHBondContact O-CB 3.34Å; I349-K353 PolarHBondContact O-N 2.9Å
350	D	93.8	Very high	86.1	Confident	113 Å²	113	62.6 Å²	62.6	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-68.8	-40.2	-179.6	-63.1	-37.2	0	0	0	111.7	S348 K353 E354	S348-D350 PolarHBondContact O-N 2.8Å; D350-K353 WeakPolarHBondContact O-CB 3.36Å; D350-K353 PolarHBondContact O-N 2.9Å; D350-E354 PolarHBondContact O-N 2.87Å
351	E	94.3	Very high	87.3	Confident	90 Å²	90	59.5 Å²	59.5	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-44.2	172.9	-74.1	171.9	169.7	0	0	111.6	H347 S348 K353 E354 L355	H347-E351 WeakPolarHBondContact CA-OE2 3.5Å; H347-E351 HydrophobicContact CB-CB 3.86Å; H347-E351 WeakPolarHBondContact CB-OE2 3.31Å; H347-E351 IonicContact CG-OE2 3.04Å; H347-E351 IonicContact ND1-OE2 2.61Å; H347-E351 PolarHBondContact ND1-OE2 3.47Å; H347-E351 VanDerWaalsContact ND1-OE2 3.16Å; S348-E351 PolarHBondContact N-OE2 3.26Å; S348-E351 PolarHBondContact O-N 3.33Å; S348-E351 VanDerWaalsContact OG-CG 3.31Å; S348-E351 WeakPolarHBondContact OG-CG 3.11Å; S348-E351 PolarHBondContact OG-N 3.26Å; S348-E351 VanDerWaalsContact OG-N 3.15Å; E351-K353 VanDerWaalsContact C-N 3.31Å; E351-K353 PolarHBondContact O-N 3.41Å; E351-E354 WeakPolarHBondContact O-CB 3.33Å; E351-E354 PolarHBondContact O-N 3.48Å; E351-L355 VanDerWaalsContact O-CG 3.3Å; E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.28Å
352	W	94.3	Very high	88.4	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-40.7	173.7	-79.6	123.7	0	0	0	112.1	A67 K68 Y71 H347 S348 I349 E354 L355 I356	A67-W352 HydrophobicContact CB-CB 3.56Å; A67-W352 HydrophobicContact CB-CG 3.83Å; K68-W352 HydrophobicContact CB-CD2 4.47Å; K68-W352 HydrophobicContact CB-CH2 4.49Å; K68-W352 HydrophobicContact CB-CZ2 3.8Å; K68-W352 HydrophobicContact CD-CZ2 3.77Å; K68-W352 HydrophobicContact CG-CH2 4.07Å; K68-W352 HydrophobicContact CG-CZ2 3.58Å; Y71-W352 HydrophobicContact CD1-CE3 4.03Å; Y71-W352 HydrophobicContact CD1-CH2 4.28Å; Y71-W352 AromaticContact CD1-CZ3 3.38Å; Y71-W352 HydrophobicContact CD1-CZ3 3.38Å; Y71-W352 HydrophobicContact CD2-CE3 4.49Å; Y71-W352 AromaticContact CE1-CZ3 3.93Å; Y71-W352 HydrophobicContact CE1-CZ3 3.93Å; Y71-W352 AromaticContact CG-CE3 3.86Å; Y71-W352 HydrophobicContact CG-CE3 3.86Å; Y71-W352 AromaticContact CG-CZ3 3.72Å; Y71-W352 HydrophobicContact CG-CZ3 3.72Å; H347-W352 HydrophobicContact CB-CD2 3.94Å; H347-W352 HydrophobicContact CB-CG 4.04Å; H347-W352 HydrophobicContact CB-CZ2 4.11Å; H347-W352 AromaticContact CD2-CE2 3.97Å; H347-W352 AromaticContact CD2-CH2 3.6Å; H347-W352 AromaticContact CD2-CZ2 3.62Å; H347-W352 AromaticContact CD2-CZ3 3.93Å; H347-W352 PolarHBondContact O-NE1 2.99Å; S348-W352 VanDerWaalsContact O-CD1 3.27Å; S348-W352 PolarHBondContact O-N 3.45Å; I349-W352 PolarHBondContact O-N 3.37Å; W352-E354 VanDerWaalsContact C-N 3.33Å; W352-E354 PolarHBondContact O-N 2.91Å; W352-L355 HydrophobicContact CE3-CD1 3.75Å; W352-L355 HydrophobicContact CZ3-CD1 3.83Å; W352-L355 PolarHBondContact O-N 3.07Å; W352-I356 VanDerWaalsContact O-CG1 3.26Å; W352-I356 WeakPolarHBondContact O-CG1 3.31Å; W352-I356 PolarHBondContact O-N 3.23Å
353	K	95.6	Very high	89.3	Confident	31 Å²	31	57.4 Å²	57.4	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-43.3	177.5	-177.9	176.1	164.4	176.3	0	110.9	F61 L98 E99 F101 I349 D350 E351 Y357	F61-K353 HydrophobicContact CD1-CB 3.77Å; F61-K353 HydrophobicContact CD1-CG 4.01Å; F61-K353 HydrophobicContact CD2-CD 4.27Å; F61-K353 HydrophobicContact CD2-CG 4.31Å; F61-K353 HydrophobicContact CE1-CB 3.92Å; F61-K353 HydrophobicContact CE1-CG 3.95Å; F61-K353 HydrophobicContact CE2-CG 4.25Å; F61-K353 HydrophobicContact CG-CB 4.31Å; F61-K353 HydrophobicContact CG-CD 4.29Å; F61-K353 HydrophobicContact CG-CG 4.21Å; F61-K353 HydrophobicContact CZ-CG 4.11Å; L98-K353 HydrophobicContact CD1-CG 4.11Å; L98-K353 WeakPolarHBondContact O-CE 3.26Å; L98-K353 PolarHBondContact O-NZ 2.88Å; E99-K353 PolarHBondContact O-NZ 3.47Å; F101-K353 HydrophobicContact CD1-CD 4.46Å; F101-K353 HydrophobicContact CD1-CG 3.67Å; F101-K353 HydrophobicContact CE1-CG 4.23Å; F101-K353 WeakPolarHBondContact O-CE 3.34Å; F101-K353 PolarHBondContact O-NZ 2.88Å; I349-K353 VanDerWaalsContact O-CB 3.29Å; I349-K353 WeakPolarHBondContact O-CB 3.34Å; I349-K353 PolarHBondContact O-N 2.9Å; D350-K353 WeakPolarHBondContact O-CB 3.36Å; D350-K353 PolarHBondContact O-N 2.9Å; E351-K353 VanDerWaalsContact C-N 3.31Å; E351-K353 PolarHBondContact O-N 3.41Å; K353-Y357 VanDerWaalsContact O-CB 3.25Å; K353-Y357 WeakPolarHBondContact O-CB 3.2Å; K353-Y357 PolarHBondContact O-N 3.49Å
354	E	95.5	Very high	89.9	Confident	79 Å²	79	58 Å²	58	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-47.5	172.1	-83.1	-170.8	-149.7	0	0	113.1	L98 D350 E351 W352 Y357 K358	L98-E354 HydrophobicContact CD1-CG 4.09Å; L98-E354 HydrophobicContact CD2-CG 3.5Å; L98-E354 VanDerWaalsContact CD2-CG 3.5Å; L98-E354 HydrophobicContact CG-CG 4.41Å; D350-E354 PolarHBondContact O-N 2.87Å; E351-E354 WeakPolarHBondContact O-CB 3.33Å; E351-E354 PolarHBondContact O-N 3.48Å; W352-E354 VanDerWaalsContact C-N 3.33Å; W352-E354 PolarHBondContact O-N 2.91Å; E354-Y357 PolarHBondContact O-N 3.21Å; E354-K358 WeakPolarHBondContact O-CB 3.37Å; E354-K358 VanDerWaalsContact O-CG 3.27Å; E354-K358 WeakPolarHBondContact O-CG 3.18Å; E354-K358 PolarHBondContact O-N 3.29Å; E354-K358 IonicContact OE2-NZ 3.36Å; E354-K358 PolarHBondContact OE2-NZ 3.48Å
355	L	94.3	Very high	90.3	Very high	49 Å²	49	57 Å²	57	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-46.3	-179.7	-72.9	172.2	0	0	0	111.1	Y71 E351 W352 K358 E359	Y71-L355 HydrophobicContact CD2-CB 3.89Å; Y71-L355 HydrophobicContact CE2-CB 3.61Å; E351-L355 VanDerWaalsContact O-CG 3.3Å; E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.28Å; W352-L355 HydrophobicContact CE3-CD1 3.75Å; W352-L355 HydrophobicContact CZ3-CD1 3.83Å; W352-L355 PolarHBondContact O-N 3.07Å; L355-K358 PolarHBondContact O-N 3.11Å; L355-E359 WeakPolarHBondContact O-CG 2.94Å; L355-E359 PolarHBondContact O-N 2.9Å
356	I	94.4	Very high	90.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-45.9	176.5	-64.8	166.6	0	0	0	110	F61 A70 Y71 L74 F101 V104 W352 K358 E359 V360	F61-I356 HydrophobicContact CD1-CD1 4.4Å; F61-I356 HydrophobicContact CE1-CB 4.29Å; F61-I356 HydrophobicContact CE1-CD1 3.59Å; F61-I356 HydrophobicContact CE1-CG1 4.49Å; F61-I356 HydrophobicContact CZ-CD1 4.43Å; F61-I356 HydrophobicContact CZ-CG2 4.42Å; A70-I356 HydrophobicContact CB-CD1 4.02Å; Y71-I356 HydrophobicContact CD2-CG1 3.66Å; Y71-I356 HydrophobicContact CG-CG1 4.11Å; L74-I356 HydrophobicContact CD2-CG2 4.35Å; F101-I356 HydrophobicContact CE1-CB 4.23Å; F101-I356 HydrophobicContact CE1-CG2 4.03Å; F101-I356 HydrophobicContact CZ-CB 4.49Å; F101-I356 HydrophobicContact CZ-CG2 3.8Å; V104-I356 HydrophobicContact CG2-CG2 3.99Å; W352-I356 VanDerWaalsContact O-CG1 3.26Å; W352-I356 WeakPolarHBondContact O-CG1 3.31Å; W352-I356 PolarHBondContact O-N 3.23Å; I356-K358 VanDerWaalsContact C-N 3.35Å; I356-K358 PolarHBondContact O-N 3.15Å; I356-E359 PolarHBondContact O-N 3.24Å; I356-E359 VanDerWaalsContact O-N 3.17Å; I356-V360 HydrophobicContact CG2-CG2 4.24Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.34Å; I356-V360 PolarHBondContact O-N 2.79Å
357	Y	95.1	Very high	89.7	Confident	38 Å²	38	56.8 Å²	56.8	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-46.8	179.9	-173	-107.9	0	0	0	111.7	T93 K96 L98 F101 K353 E354 E359 V360 M361	T93-Y357 HydrophobicContact CG2-CE2 4.27Å; K96-Y357 PolarHBondContact O-OH 3.45Å; L98-Y357 HydrophobicContact CB-CD1 4.29Å; L98-Y357 HydrophobicContact CB-CE1 4.37Å; L98-Y357 HydrophobicContact CD1-CD1 4.16Å; L98-Y357 HydrophobicContact CD1-CG 3.98Å; F101-Y357 HydrophobicContact CB-CD2 3.88Å; F101-Y357 HydrophobicContact CB-CE2 4.21Å; F101-Y357 AromaticContact CD1-CD2 3.67Å; F101-Y357 HydrophobicContact CD1-CD2 3.67Å; F101-Y357 HydrophobicContact CD1-CG 4.09Å; F101-Y357 AromaticContact CD2-CD2 3.85Å; F101-Y357 HydrophobicContact CD2-CD2 3.85Å; F101-Y357 HydrophobicContact CD2-CE2 4.4Å; F101-Y357 HydrophobicContact CE1-CD2 4.06Å; F101-Y357 HydrophobicContact CE1-CG 4.37Å; F101-Y357 HydrophobicContact CE2-CD2 4.25Å; F101-Y357 AromaticContact CG-CD2 3.54Å; F101-Y357 HydrophobicContact CG-CD2 3.54Å; F101-Y357 HydrophobicContact CG-CE2 4.25Å; F101-Y357 HydrophobicContact CG-CG 4.38Å; F101-Y357 HydrophobicContact CZ-CD2 4.33Å; K353-Y357 VanDerWaalsContact O-CB 3.25Å; K353-Y357 WeakPolarHBondContact O-CB 3.2Å; K353-Y357 PolarHBondContact O-N 3.49Å; E354-Y357 PolarHBondContact O-N 3.21Å; Y357-E359 VanDerWaalsContact C-N 3.33Å; Y357-E359 PolarHBondContact O-N 3.08Å; Y357-V360 PolarHBondContact O-N 3.45Å; Y357-M361 HydrophobicContact CD1-CG 4.13Å; Y357-M361 HydrophobicContact CD2-CG 4.47Å; Y357-M361 HydrophobicContact CE1-CG 3.8Å; Y357-M361 HydrophobicContact CE1-SD 4.48Å; Y357-M361 HydrophobicContact CE2-CE 4.12Å; Y357-M361 HydrophobicContact CE2-CG 4.17Å; Y357-M361 HydrophobicContact CE2-SD 4.23Å; Y357-M361 HydrophobicContact CG-CG 4.46Å; Y357-M361 VanDerWaalsContact O-CG 3.31Å; Y357-M361 WeakPolarHBondContact O-CG 3.4Å; Y357-M361 PolarHBondContact O-N 3.42Å
358	K	93.9	Very high	88.6	Confident	104 Å²	104	61 Å²	61	45%	0.452	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-45.3	175.2	-73.9	165.8	-175.4	156.7	0	111.3	E354 L355 I356 V360 M361 N362	E354-K358 WeakPolarHBondContact O-CB 3.37Å; E354-K358 VanDerWaalsContact O-CG 3.27Å; E354-K358 WeakPolarHBondContact O-CG 3.18Å; E354-K358 PolarHBondContact O-N 3.29Å; E354-K358 IonicContact OE2-NZ 3.36Å; E354-K358 PolarHBondContact OE2-NZ 3.48Å; L355-K358 PolarHBondContact O-N 3.11Å; I356-K358 VanDerWaalsContact C-N 3.35Å; I356-K358 PolarHBondContact O-N 3.15Å; K358-V360 PolarHBondContact O-N 2.92Å; K358-M361 PolarHBondContact O-N 2.62Å; K358-N362 VanDerWaalsContact O-CB 3.24Å; K358-N362 WeakPolarHBondContact O-CB 3.46Å; K358-N362 PolarHBondContact O-N 3.16Å; K358-N362 PolarHBondContact O-ND2 3.19Å
359	E	91.6	Very high	86.1	Confident	42 Å²	42	65.7 Å²	65.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-39.7	178.5	-76.2	-59.9	124.3	0	0	113.4	Y71 L74 K78 L355 I356 Y357 F363	Y71-E359 HydrophobicContact CD2-CG 4.45Å; Y71-E359 HydrophobicContact CE2-CG 3.65Å; L74-E359 HydrophobicContact CD2-CB 3.58Å; L74-E359 HydrophobicContact CG-CB 4.41Å; K78-E359 IonicContact NZ-OE2 3.4Å; K78-E359 PolarHBondContact NZ-OE2 3.12Å; L355-E359 WeakPolarHBondContact O-CG 2.94Å; L355-E359 PolarHBondContact O-N 2.9Å; I356-E359 PolarHBondContact O-N 3.24Å; I356-E359 VanDerWaalsContact O-N 3.17Å; Y357-E359 VanDerWaalsContact C-N 3.33Å; Y357-E359 PolarHBondContact O-N 3.08Å; E359-F363 PolarHBondContact O-N 3.01Å
360	V	93.6	Very high	83.3	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-49.7	176.4	176.2	0	0	0	0	110.6	L74 V91 T93 V104 I356 Y357 K358 N362 F363 E364	L74-V360 HydrophobicContact CD2-CG2 4Å; V91-V360 HydrophobicContact CG2-CB 4.47Å; V91-V360 HydrophobicContact CG2-CG1 4.19Å; V91-V360 HydrophobicContact CG2-CG2 3.83Å; T93-V360 HydrophobicContact CG2-CG1 4.03Å; V104-V360 HydrophobicContact CG1-CG2 4.22Å; I356-V360 HydrophobicContact CG2-CG2 4.24Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.34Å; I356-V360 PolarHBondContact O-N 2.79Å; Y357-V360 PolarHBondContact O-N 3.45Å; K358-V360 PolarHBondContact O-N 2.92Å; V360-N362 PolarHBondContact O-N 3.04Å; V360-F363 PolarHBondContact O-N 3.27Å; V360-E364 PolarHBondContact O-N 3.14Å
361	M	91.8	Very high	80.5	Confident	43 Å²	43	64.6 Å²	64.6	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-43.8	179.5	-66.1	-62.4	100.2	0	0	112	T93 Y357 K358 F363 E364 E365	T93-M361 HydrophobicContact CG2-CE 3.48Å; T93-M361 VanDerWaalsContact CG2-CE 3.48Å; Y357-M361 HydrophobicContact CD1-CG 4.13Å; Y357-M361 HydrophobicContact CD2-CG 4.47Å; Y357-M361 HydrophobicContact CE1-CG 3.8Å; Y357-M361 HydrophobicContact CE1-SD 4.48Å; Y357-M361 HydrophobicContact CE2-CE 4.12Å; Y357-M361 HydrophobicContact CE2-CG 4.17Å; Y357-M361 HydrophobicContact CE2-SD 4.23Å; Y357-M361 HydrophobicContact CG-CG 4.46Å; Y357-M361 VanDerWaalsContact O-CG 3.31Å; Y357-M361 WeakPolarHBondContact O-CG 3.4Å; Y357-M361 PolarHBondContact O-N 3.42Å; K358-M361 PolarHBondContact O-N 2.62Å; M361-F363 PolarHBondContact O-N 3.13Å; M361-E364 PolarHBondContact O-N 3.03Å; M361-E365 PolarHBondContact O-N 2.88Å
362	N	89.3	Confident	78	Confident	68 Å²	68	66.2 Å²	66.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-35.7	176.2	-74.7	-17.5	0	0	0	112.2	K358 V360 R366	K358-N362 VanDerWaalsContact O-CB 3.24Å; K358-N362 WeakPolarHBondContact O-CB 3.46Å; K358-N362 PolarHBondContact O-N 3.16Å; K358-N362 PolarHBondContact O-ND2 3.19Å; V360-N362 PolarHBondContact O-N 3.04Å; N362-R366 VanDerWaalsContact O-CG 3.32Å; N362-R366 WeakPolarHBondContact O-CG 3.38Å; N362-R366 PolarHBondContact O-N 3.5Å
363	F	85.8	Confident	75.3	Confident	21 Å²	21	75.4 Å²	75.4	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-72	-43.7	176.9	-165.8	-75.5	0	0	0	111.5	K78 L88 V91 E359 V360 M361 E365 R366 T367	K78-F363 HydrophobicContact CD-CD2 4.18Å; K78-F363 HydrophobicContact CG-CD2 4.24Å; K78-F363 HydrophobicContact CG-CE2 4.42Å; L88-F363 HydrophobicContact CD2-CD2 4.31Å; L88-F363 HydrophobicContact CD2-CE2 3.93Å; L88-F363 HydrophobicContact CD2-CZ 4.4Å; L88-F363 HydrophobicContact CG-CE2 4.44Å; L88-F363 HydrophobicContact CG-CZ 4.48Å; V91-F363 HydrophobicContact CG1-CB 3.44Å; V91-F363 VanDerWaalsContact CG1-CB 3.44Å; V91-F363 HydrophobicContact CG1-CD1 3.58Å; V91-F363 HydrophobicContact CG1-CD2 3.9Å; V91-F363 HydrophobicContact CG1-CE1 4.34Å; V91-F363 HydrophobicContact CG1-CG 3.35Å; E359-F363 PolarHBondContact O-N 3.01Å; V360-F363 PolarHBondContact O-N 3.27Å; M361-F363 PolarHBondContact O-N 3.13Å; F363-E365 VanDerWaalsContact C-N 3.31Å; F363-E365 PolarHBondContact O-N 3.06Å; F363-R366 PolarHBondContact O-N 2.78Å; F363-T367 WeakPolarHBondContact CD1-OG1 3.44Å; F363-T367 VanDerWaalsContact CE1-OG1 3.29Å; F363-T367 WeakPolarHBondContact CE1-OG1 3.43Å; F363-T367 PolarHBondContact O-N 2.91Å; F363-T367 PolarHBondContact O-OG1 2.84Å
364	E	79.6	Confident	72.5	Confident	28 Å²	28	76.2 Å²	76.2	13%	0.131	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-42.4	176.3	-76.6	-165	-171	0	0	112.2	F92 V360 M361 T367 K368	F92-E364 WeakPolarHBondContact CA-OE1 3.43Å; F92-E364 VanDerWaalsContact CB-OE1 3.32Å; F92-E364 WeakPolarHBondContact CB-OE1 3.26Å; V360-E364 PolarHBondContact O-N 3.14Å; M361-E364 PolarHBondContact O-N 3.03Å; E364-T367 PolarHBondContact O-N 2.86Å; E364-K368 WeakPolarHBondContact O-CB 3.39Å; E364-K368 WeakPolarHBondContact O-CG 3.33Å; E364-K368 PolarHBondContact O-N 3.42Å; E364-K368 IonicContact OE2-NZ 2.7Å; E364-K368 PolarHBondContact OE2-NZ 2.91Å; E364-K368 VanDerWaalsContact OE2-NZ 3.14Å
365	E	79.9	Confident	70.1	Confident	118 Å²	118	76.4 Å²	76.4	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-44.8	177.4	-73.9	-176.5	177.1	0	0	112.3	M361 F363 T367 K368 N369	M361-E365 PolarHBondContact O-N 2.88Å; F363-E365 VanDerWaalsContact C-N 3.31Å; F363-E365 PolarHBondContact O-N 3.06Å; E365-T367 PolarHBondContact O-N 3.1Å; E365-K368 PolarHBondContact O-N 3.09Å; E365-N369 PolarHBondContact O-N 3.29Å; E365-N369 PolarHBondContact O-ND2 3.27Å
366	R	77	Confident	67.1	Low	172 Å²	172	80.1 Å²	80.1	65%	0.649	42%	0.42	S	S	*	.	H	α-helix	trans	-59.3	-37.6	174.7	-73	176.2	-172.8	-169.5	2.4	111.9	N362 F363	N362-R366 VanDerWaalsContact O-CG 3.32Å; N362-R366 WeakPolarHBondContact O-CG 3.38Å; N362-R366 PolarHBondContact O-N 3.5Å; F363-R366 PolarHBondContact O-N 2.78Å
367	T	69.5	Low	63.9	Low	47 Å²	47	85.2 Å²	85.2	29%	0.288	46%	0.456	S	S	.	.	H	α-helix	trans	-77.3	-34.8	-178	-42.9	0	0	0	0	111.9	F363 E364 E365 N369 G370	F363-T367 WeakPolarHBondContact CD1-OG1 3.44Å; F363-T367 VanDerWaalsContact CE1-OG1 3.29Å; F363-T367 WeakPolarHBondContact CE1-OG1 3.43Å; F363-T367 PolarHBondContact O-N 2.91Å; F363-T367 PolarHBondContact O-OG1 2.84Å; E364-T367 PolarHBondContact O-N 2.86Å; E365-T367 PolarHBondContact O-N 3.1Å; T367-N369 VanDerWaalsContact C-N 3.34Å; T367-G370 PolarHBondContact O-N 3.17Å
368	K	64.2	Low	61.1	Low	134 Å²	134	89.4 Å²	89.4	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-33.4	173.6	-77.8	168.5	-178.7	154.1	0	112.4	E364 E365 G370	E364-K368 WeakPolarHBondContact O-CB 3.39Å; E364-K368 WeakPolarHBondContact O-CG 3.33Å; E364-K368 PolarHBondContact O-N 3.42Å; E364-K368 IonicContact OE2-NZ 2.7Å; E364-K368 PolarHBondContact OE2-NZ 2.91Å; E364-K368 VanDerWaalsContact OE2-NZ 3.14Å; E365-K368 PolarHBondContact O-N 3.09Å; K368-G370 PolarHBondContact O-N 2.94Å
369	N	41.1	Very low	58.2	Low	143 Å²	143	89.4 Å²	89.4	77%	0.765	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	4.5	178.2	-68.7	-19.4	0	0	0	114.2	E365 T367	E365-N369 PolarHBondContact O-N 3.29Å; E365-N369 PolarHBondContact O-ND2 3.27Å; T367-N369 VanDerWaalsContact C-N 3.34Å
370	G	35.8	Very low	55.6	Low	41 Å²	41	91.9 Å²	91.9	42%	0.423	54%	0.537	S	S	.	.			trans	83.4	133.1	173.3	0	0	0	0	0	113.7	T367 K368	T367-G370 PolarHBondContact O-N 3.17Å; K368-G370 PolarHBondContact O-N 2.94Å
371	V	33.8	Very low	52.6	Low	106 Å²	106	95.5 Å²	95.5	64%	0.642	57%	0.567	S	S	*	*			trans	84.4	92.4	154.9	-168.1	0	0	0	0	116.5	K373	V371-K373 VanDerWaalsContact C-N 3.26Å; V371-K373 HydrophobicContact CG1-CB 3.34Å; V371-K373 HydrophobicContact CG1-CD 3.6Å; V371-K373 HydrophobicContact CG1-CG 3.24Å; V371-K373 PolarHBondContact O-N 3.02Å
372	V	42	Very low	49.7	Very low	124 Å²	124	98.3 Å²	98.3	75%	0.752	60%	0.597	S	S	*	*			trans	-81.8	81.3	142.4	-175.6	0	0	0	0	106.9	G374	V372-G374 PolarHBondContact O-N 2.75Å
373	K	38	Very low	46.7	Very low	194 Å²	194	101.3 Å²	101.3	84%	0.843	62%	0.618	S	S	*	*			trans	-77.8	103.1	166.1	-104.7	170.9	-170.5	-177.2	0	105.9	V371	V371-K373 VanDerWaalsContact C-N 3.26Å; V371-K373 HydrophobicContact CG1-CB 3.34Å; V371-K373 HydrophobicContact CG1-CD 3.6Å; V371-K373 HydrophobicContact CG1-CG 3.24Å; V371-K373 PolarHBondContact O-N 3.02Å
374	G	37.3	Very low	43.9	Very low	49 Å²	49	107.8 Å²	107.8	51%	0.505	65%	0.653	S	S	.	*			trans	-178.4	13.9	178	0	0	0	0	0	116.6	V372	V372-G374 PolarHBondContact O-N 2.75Å
375	Q	43.7	Very low	41.4	Very low	82 Å²	82	111.7 Å²	111.7	38%	0.383	68%	0.684	S	S	.	*	S	Bend	trans	-129.5	136.8	171.7	-72.3	-167.9	-23.7	0	0	111	S87	S87-Q375 PolarHBondContact OG-NE2 3.48Å
376	P	31.6	Very low	38.9	Very low	128 Å²	128	111.6 Å²	111.6	83%	0.831	70%	0.696	S	S	*	*			trans	-65.3	142	-178.9	26.2	-31.6	0	0	0	110.6
377	S	27.7	Very low	36.6	Very low	108 Å²	108	112.2 Å²	112.2	76%	0.755	71%	0.706	S	S	*	*			trans	-59.9	141.4	175.1	-53.4	0	0	0	0	110.9	S379	S377-S379 PolarHBondContact O-N 3.45Å; S377-S379 VanDerWaalsContact O-N 3.11Å
378	P	35.6	Very low	34.6	Very low	126 Å²	126	115.5 Å²	115.5	82%	0.818	73%	0.731	S	S	*	*	S	Bend	trans	-81.6	89.7	171.7	32	-28.2	0	0	0	108.2
379	S	33.1	Very low	32.9	Very low	103 Å²	103	117 Å²	117	72%	0.72	75%	0.745	S	S	*	*			trans	-159	96.4	166.1	-75.3	0	0	0	0	110.8	S377 A381	S377-S379 PolarHBondContact O-N 3.45Å; S377-S379 VanDerWaalsContact O-N 3.11Å; S379-A381 PolarHBondContact O-N 3.4Å
380	G	37.9	Very low	32.4	Very low	94 Å²	94	115.5 Å²	115.5	97%	0.969	74%	0.743	S	S	*	*			trans	-69.5	98.8	149	0	0	0	0	0	107.8
381	A	28.8	Very low	32.2	Very low	76 Å²	76	119.7 Å²	119.7	63%	0.628	76%	0.763	S	S	*	*			trans	-127.1	115.2	161.7	0	0	0	0	0	106.1	S379 V383	S379-A381 PolarHBondContact O-N 3.4Å; A381-V383 PolarHBondContact O-N 3.25Å; A381-V383 VanDerWaalsContact O-N 3.09Å
382	A	31.6	Very low	31.9	Very low	103 Å²	103	120.1 Å²	120.1	85%	0.851	77%	0.77	S	S	*	*			trans	-51.8	115.3	176.3	0	0	0	0	0	109.7	N384	A382-N384 PolarHBondContact O-N 3.39Å
383	V	26.8	Very low	31.1	Very low	131 Å²	131	119.2 Å²	119.2	79%	0.794	77%	0.77	S	S	*	*			trans	-84.1	100.2	170	-176.3	0	0	0	0	106.5	A381 S385	A381-V383 PolarHBondContact O-N 3.25Å; A381-V383 VanDerWaalsContact O-N 3.09Å; V383-S385 PolarHBondContact O-N 2.88Å; V383-S385 VanDerWaalsContact O-N 3.12Å
384	N	27.4	Very low	30.6	Very low	156 Å²	156	114.8 Å²	114.8	83%	0.834	76%	0.763	S	S	*	*			trans	-61	107.5	159.6	-93.5	-10.5	0	0	0	107.8	A382 S386	A382-N384 PolarHBondContact O-N 3.39Å; N384-S386 PolarHBondContact O-N 3.22Å
385	S	27.3	Very low	30.2	Very low	110 Å²	110	119.2 Å²	119.2	77%	0.769	77%	0.774	S	S	*	*			trans	-77	98.3	170.1	43.2	0	0	0	0	109.7	V383	V383-S385 PolarHBondContact O-N 2.88Å; V383-S385 VanDerWaalsContact O-N 3.12Å
386	S	26.4	Very low	29.5	Very low	117 Å²	117	121.5 Å²	121.5	82%	0.818	79%	0.788	S	S	*	*			trans	-104	85.1	155.6	59.9	0	0	0	0	108.2	N384	N384-S386 PolarHBondContact O-N 3.22Å
387	E	29.6	Very low	29.4	Very low	184 Å²	184	121.2 Å²	121.2	86%	0.86	78%	0.78	S	S	*	*			trans	-88.7	119.3	165.9	-85.4	-172.2	156.9	0	0	109.8
388	S	26.6	Very low	29.4	Very low	116 Å²	116	122.6 Å²	122.6	81%	0.811	78%	0.778	S	S	*	*			trans	-66.2	125	167	50.2	0	0	0	0	111.2
389	L	29.5	Very low	29.1	Very low	165 Å²	165	121.3 Å²	121.3	86%	0.864	77%	0.771	S	S	*	*			trans	-104.4	146.6	165.8	-84.9	159.1	0	0	0	111
390	P	29.5	Very low	28.9	Very low	112 Å²	112	121.3 Å²	121.3	73%	0.727	77%	0.772	S	S	*	*			trans	-84.6	169.1	-174.2	36.2	-34.3	0	0	0	112.9
391	P	32.3	Very low	28.5	Very low	129 Å²	129	125.2 Å²	125.2	84%	0.838	77%	0.767	S	S	*	*			trans	-92.7	142.1	-160.3	35.1	-31.4	0	0	0	113.4
392	S	26.5	Very low	28.5	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	77%	0.77	S	S	*	*			trans	-156.3	114.4	147.4	55.4	0	0	0	0	113
393	S	26.5	Very low	28.4	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	77%	0.766	S	S	*	*			trans	19.8	122.5	142.9	65.9	0	0	0	0	122.1
394	S	27.3	Very low	28.6	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	77%	0.77	S	S	*	*				127.3	114.6	116.8	-66	0	0	0	0	117.6
395	I	29.1	Very low	28.6	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	77%	0.771	S	S	*	*			trans	85.5	115.9	130.8	-62.7	171.7	0	0	0	119.4
396	N	29.3	Very low	28.8	Very low	130 Å²	130	131 Å²	131	70%	0.695	77%	0.771	S	S	*	*			trans	65.6	144.7	148.7	-65.6	11.2	0	0	0	118.3
397	D	27.7	Very low	28.9	Very low	123 Å²	123	132.8 Å²	132.8	66%	0.658	77%	0.771	S	S	*	*			cis	-173.2	152.7	10.2	-117.6	-31.3	0	0	0	109
398	I	29.6	Very low	28.9	Very low	137 Å²	137	128.6 Å²	128.6	70%	0.703	77%	0.767	S	S	*	*			trans	80	128	141.5	-58.8	160.7	0	0	0	123
399	S	29.5	Very low	29.1	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	77%	0.769	S	S	*	*			trans	74.1	118.4	151.1	65.6	0	0	0	0	119.1
400	S	27.8	Very low	29.1	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	77%	0.768	S	S	*	*			cis	94.5	134.6	44.4	74.4	0	0	0	0	114.4
401	M	29.6	Very low	29.3	Very low	175 Å²	175	130.1 Å²	130.1	86%	0.862	78%	0.776	S	S	*	*			trans	101.3	101.3	170.2	-57.8	-151.3	156.2	0	0	115
402	S	29.2	Very low	29.1	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	77%	0.774	S	S	*	*				75.8	102	67.3	-64.6	0	0	0	0	112.1
403	T	29.9	Very low	29.4	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	78%	0.775	S	S	*	*				82.8	117.4	109	54.3	0	0	0	0	114.1
404	D	29.6	Very low	29.5	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	77%	0.772	S	S	*	*				-160.4	134.8	115.8	-100.8	-23.5	0	0	0	112.7
405	Q	28.3	Very low	29.7	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	78%	0.776	S	S	*	*			trans	-98.8	147.7	167.9	-75.9	176.6	-23.7	0	0	108.5
406	T	30.9	Very low	29.8	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	78%	0.778	S	S	*	*			trans	-168.6	105	146.2	7.4	0	0	0	0	107.8
407	L	29.8	Very low	29.8	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	78%	0.783	S	S	*	*				58.2	102.1	101	-71.1	164.5	0	0	0	112.2
408	A	28.1	Very low	30	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	79%	0.793	S	S	*	*				61.8	111.2	73.7	0	0	0	0	0	113.9
409	S	30.4	Very low	30.2	Very low	120 Å²	120	133 Å²	133	84%	0.839	80%	0.803	S	S	*	*			trans	-155.3	103.7	152.3	61.3	0	0	0	0	109.8
410	D	29.6	Very low	30.2	Very low	159 Å²	159	131.9 Å²	131.9	85%	0.85	81%	0.807	S	S	*	*			trans	-63.7	141.3	158.1	-68.6	-48.9	0	0	0	110.1
411	T	33.8	Very low	31.2	Very low	146 Å²	146	132.7 Å²	132.7	90%	0.896	81%	0.809	S	S	*	*			trans	-142.6	113.8	147.5	36.6	0	0	0	0	109.5
412	D	29.3	Very low	31.4	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	81%	0.813	S	S	*	*			trans	-78.7	139.7	169.6	-159.8	1.6	0	0	0	109.4
413	S	31.6	Very low	31.4	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	82%	0.816	S	S	*	*			trans	-159.3	108.4	155.5	66.4	0	0	0	0	110.8
414	S	29.3	Very low	31.3	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	82%	0.821	S	S	*	*			trans	-63.6	156.6	168.6	-23.5	0	0	0	0	111.8
415	L	32	Very low	31.6	Very low	152 Å²	152	130 Å²	130	80%	0.796	82%	0.82	S	S	*	*			trans	-176.7	122.2	134.5	-95.9	156.5	0	0	0	112.4
416	E	30.7	Very low	32.2	Very low	162 Å²	162	136.6 Å²	136.6	76%	0.757	84%	0.837	S	S	*	*			trans	64.7	102	137.9	-74.6	178.9	-178.4	0	0	123.5
417	T	30.2	Very low	32.3	Very low	132 Å²	132	137.1 Å²	137.1	81%	0.81	84%	0.84	S	S	*	*				15.5	124.2	118.8	49.6	0	0	0	0	120.6
418	S	30.8	Very low	32.4	Very low	124 Å²	124	136.1 Å²	136.1	87%	0.867	84%	0.842	S	S	*	*			trans	-152.4	121.6	133.7	65.7	0	0	0	0	111.2
419	A	32.9	Very low	32.6	Very low	110 Å²	110	138.4 Å²	138.4	91%	0.909	85%	0.845	S	S	*	*			trans	-87.8	149.1	171.8	0	0	0	0	0	111.1
420	G	30.2	Very low	32.7	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	85%	0.845	S	S	*	*			trans	168.3	114.5	167.8	0	0	0	0	0	114.2
421	P	48.9	Very low	32.9	Very low	121 Å²	121	138.3 Å²	138.3	79%	0.786	85%	0.845	S	S	*	*			trans	-99.4	167.9	-168.5	38.3	-33.3	0	0	0	113.6
422	L	32.9	Very low	32.9	Very low	178 Å²	178	137.7 Å²	137.7	93%	0.932	84%	0.841	S	S	*	*			trans	154.4	139.6	136.1	-83.6	155.9	0	0	0	112.6
423	G	29.3	Very low	33.2	Very low	76 Å²	76	136.9 Å²	136.9	78%	0.784	84%	0.844	S	S	*	*			trans	138.3	81.5	144.6	0	0	0	0	0	118.3
424	C	29.6	Very low	33.3	Very low	128 Å²	128	138.5 Å²	138.5	87%	0.865	85%	0.847	S	S	*	*			trans	-66.5	168.5	158.3	-94.4	0	0	0	0	113.5
425	C	34.5	Very low	33.6	Very low	126 Å²	126	141.9 Å²	141.9	85%	0.851	86%	0.861	S	S	*	*			trans	90.3	124.5	166.4	-55.3	0	0	0	0	113.7
426	R	41	Very low	33.7	Very low	320 Å²	320	141 Å²	141	100%	1.208	87%	0.866	S	S	*	*			cis	-154.3	0	39.2	-114.1	179	-178.2	-178.3	0	112.5

Retrieved 426 of 426 residues in 710 ms (Link to these results)

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