A0A024R7I7_HUMAN Loading...

Ras-related protein Rab-3

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion.

AlphaFold DB (Q4R4R9), UniProt , Accession A0A024R7I7, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 220 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	40.2	Very low	43	Very low	250 Å²	250	151.5 Å²	151.5	100%	1.232	85%	0.853	S	S	*	*				0	121.2	0	-71.9	-177.7	177.8	0	0	107.3
2	A	35.3	Very low	43.3	Very low	102 Å²	102	155.1 Å²	155.1	84%	0.843	85%	0.852	S	S	*	*			trans	-83.6	155.6	174.1	0	0	0	0	0	110.4
3	S	36.8	Very low	43.7	Very low	124 Å²	124	156.7 Å²	156.7	87%	0.867	85%	0.85	S	S	*	*			trans	134.2	126.9	165.8	176.7	0	0	0	0	108.9
4	A	46.5	Very low	44.1	Very low	87 Å²	87	151.8 Å²	151.8	72%	0.719	83%	0.833	S	S	*	*			cis	-151.1	139	3.6	0	0	0	0	0	107.9	D6	A4-D6 PolarHBondContact O-N 3.46Å
5	T	46.1	Very low	44.8	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	81%	0.808	S	S	*	*			trans	-71.7	115.1	168.5	42.4	0	0	0	0	109.3	S7	T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å
6	D	43.6	Very low	45.8	Very low	134 Å²	134	142.7 Å²	142.7	72%	0.717	79%	0.789	S	S	*	*			trans	-76.2	94.1	177.2	-165.2	2.3	0	0	0	110.2	A4 R8	A4-D6 PolarHBondContact O-N 3.46Å; D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å
7	S	44.6	Very low	47.2	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	79%	0.786	S	S	*	*			trans	-85.9	55.8	178.7	53.2	0	0	0	0	112.1	T5	T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å
8	R	44.9	Very low	49.2	Very low	216 Å²	216	142.9 Å²	142.9	82%	0.815	78%	0.781	S	S	*	*			trans	-117.7	14.7	176	-67.5	-164.5	-146.2	-162.2	4.5	115.7	D6	D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å
9	Y	45.2	Very low	51.3	Low	253 Å²	253	139.1 Å²	139.1	99%	0.992	76%	0.756	S	S	*	*	S	Bend	trans	-107.9	84.9	169.2	-112.2	-93.2	0	0	0	109.3
10	G	43.5	Very low	53.3	Low	70 Å²	70	135.9 Å²	135.9	72%	0.722	74%	0.738	S	S	*	*	S	Bend	trans	-172.9	-5.1	177.7	0	0	0	0	0	118
11	Q	46.9	Very low	55.3	Low	178 Å²	178	133.9 Å²	133.9	83%	0.832	72%	0.721	S	S	*	*	S	Bend	trans	-116.8	10.1	-174.8	-87.6	-176	-1	0	0	116
12	K	45.7	Very low	57.9	Low	195 Å²	195	126 Å²	126	85%	0.848	68%	0.682	S	S	*	*	S	Bend	trans	-96.5	-12.4	179.5	-90.4	-175.9	175.1	177.9	0	116.1
13	E	48.4	Very low	60.8	Low	176 Å²	176	121.2 Å²	121.2	82%	0.822	64%	0.642	S	S	*	*	S	Bend	trans	-92.5	-29.4	-176.7	-69.3	-167.2	158.3	0	0	114.3	S15	E13-S15 PolarHBondContact O-N 3.05Å
14	S	49.6	Very low	63.7	Low	88 Å²	88	117 Å²	117	62%	0.615	61%	0.608	S	S	*	*	S	Bend	trans	-75	-24.7	-176.8	49.6	0	0	0	0	113.7	D16	S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å
15	S	55.4	Low	66.1	Low	64 Å²	64	112.8 Å²	112.8	45%	0.448	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-67.6	-31.7	179.5	62.1	0	0	0	0	111.4	E13 Q17 N18 R70	E13-S15 PolarHBondContact O-N 3.05Å; S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; S15-N18 PolarHBondContact O-N 3.22Å; S15-R70 PolarHBondContact O-NH1 3.08Å
16	D	60.4	Low	68.5	Low	94 Å²	94	106.2 Å²	106.2	50%	0.503	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-74.5	-17.2	-171.9	-120.9	2.7	0	0	0	114.1	S14 R70 K72	S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å
17	Q	69.3	Low	71.1	Confident	159 Å²	159	99.9 Å²	99.9	74%	0.743	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-79.7	-21.3	175.8	-66.1	-167.4	4	0	0	113.7	S15 F19	S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å
18	N	83.6	Confident	73.6	Confident	131 Å²	131	94.4 Å²	94.4	70%	0.701	46%	0.461	S	S	*	.			trans	-86.7	104.3	-173	-134.6	22.6	0	0	0	110.5	S15 R70	S15-N18 PolarHBondContact O-N 3.22Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å
19	F	88.4	Confident	76	Confident	70 Å²	70	84.1 Å²	84.1	31%	0.307	42%	0.423	S	S	.	.			trans	-137.4	149.5	173.1	61.2	-90.1	0	0	0	109.7	Q17 Y21 M22 R70 K72	Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å; F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; F19-R70 HydrophobicContact CB-CG 4.49Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å
20	D	92.6	Very high	78.3	Confident	75 Å²	75	73.6 Å²	73.6	40%	0.401	38%	0.383	S	S	.	.	S	Bend	trans	-79.5	-42.3	178.5	-63	-94.8	0	0	0	111.3	K69 R70	D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å
21	Y	94.5	Very high	80.7	Confident	93 Å²	93	71.4 Å²	71.4	37%	0.365	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.1	-175.6	-59.1	-66.2	0	0	0	112.2	F19 F23 K69 R70 I71 K72 M187	F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y21-R70 PolarHBondContact N-O 2.87Å; Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; Y21-K72 PolarHBondContact O-N 3.2Å; Y21-M187 HydrophobicContact CD1-CE 4.39Å
22	M	94.9	Very high	82.9	Confident	86 Å²	86	65.2 Å²	65.2	42%	0.424	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.8	173.9	175.3	165.7	52.6	0	0	109.7	F19 K72 Q74	F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å
23	F	96.5	Very high	85.3	Confident	1 Å²	1	56 Å²	56	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.8	-176.4	-61.8	-12.7	0	0	0	111.1	Y21 I71 K72 L73 Q74 M96 V180 I183 M187	Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; F23-K72 PolarHBondContact N-O 3.09Å; F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; F23-Q74 PolarHBondContact O-N 3.26Å; F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å
24	K	96.2	Very high	87.6	Confident	34 Å²	34	48.1 Å²	48.1	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.9	172.4	-169.4	-173.9	-172.3	-167	0	109.4	L26 Y91 R93 G94 A95 M96 G97	K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; K24-Y91 PolarHBondContact NZ-O 2.96Å; K24-R93 PolarHBondContact NZ-O 2.98Å; K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; K24-M96 PolarHBondContact O-N 3.31Å; K24-G97 PolarHBondContact O-N 2.89Å
25	I	97.8	Very high	89.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.7	179.6	-63.6	171.3	0	0	0	108.8	L73 Q74 I75 W76 G97 I99 L179 V180 I183	I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; I25-Q74 PolarHBondContact N-O 3.26Å; I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I25-W76 PolarHBondContact O-N 3.02Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å
26	L	97.2	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.7	173.7	-84.8	63.5	0	0	0	110.1	K24 I28 W76 Y92 A95 G97 F98 I99	K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; L26-I28 HydrophobicContact CB-CG2 4.2Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; L26-G97 PolarHBondContact N-O 2.95Å; L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; L26-I99 PolarHBondContact O-N 3.05Å
27	I	97.7	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.3	167.9	-45.5	177.9	0	0	0	107.5	K35 L39 I75 W76 T78 I99 M101 F176	I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I27-L39 HydrophobicContact CD1-CB 3.91Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; I27-W76 PolarHBondContact N-O 3.25Å; I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I27-M101 HydrophobicContact CG2-CE 4.44Å; I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å
28	I	96	Very high	94.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	166	-174.1	62.9	162.9	0	0	0	111.3	L26 K35 T78 T88 Y92 F98 I99 L100 M101 W116 I120	L26-I28 HydrophobicContact CB-CG2 4.2Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; I28-T88 HydrophobicContact CG2-CG2 4.37Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; I28-I99 PolarHBondContact N-O 3.24Å; I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; I28-M101 PolarHBondContact O-N 2.97Å; I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å
29	G	96	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.			trans	134.3	171.7	-174.4	0	0	0	0	0	111.7	K35 G80 M101	G29-K35 PolarHBondContact O-NZ 2.84Å; G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å
30	N	94.8	Very high	95.8	Very high	32 Å²	32	26.5 Å²	26.5	17%	0.171	14%	0.141	C	C	.	.	S	Bend	trans	-57.7	164.5	-176.7	-78.3	18.6	0	0	0	113.1	V33 K35 A112 W116	N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; N30-K35 PolarHBondContact O-NZ 2.87Å; N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å
31	S	92.9	Very high	96.1	Very high	24 Å²	24	24.8 Å²	24.8	17%	0.168	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	151.3	171.2	-167.3	0	0	0	0	110.6	V33 G80 Q81	S31-V33 PolarHBondContact O-N 3.32Å; S31-G80 PolarHBondContact N-O 2.98Å; S31-Q81 PolarHBondContact OG-NE2 2.94Å
32	S	93.4	Very high	96.2	Very high	47 Å²	47	21.3 Å²	21.3	33%	0.329	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	1.4	175.3	78.5	0	0	0	0	118.5	G34 K136	S32-G34 PolarHBondContact O-N 3.09Å; S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å
33	V	96.6	Very high	96.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.1	C	C	.	.	S	Bend	trans	-69.9	-13.3	177	-54.4	0	0	0	0	114.1	N30 S31 K35 M101 D103 N135	N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; S31-V33 PolarHBondContact O-N 3.32Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; V33-N135 PolarHBondContact O-ND2 3.29Å
34	G	96.7	Very high	96.1	Very high	12 Å²	12	21.8 Å²	21.8	12%	0.124	12%	0.121	C	C	.	.	S	Bend	trans	104.5	15.9	173.9	0	0	0	0	0	116.2	S32 T36 S37 F38	S32-G34 PolarHBondContact O-N 3.09Å; G34-T36 PolarHBondContact O-N 2.74Å; G34-S37 PolarHBondContact O-N 3.44Å; G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å
35	K	96.1	Very high	96	Very high	10 Å²	10	25.4 Å²	25.4	4%	0.043	14%	0.142	C	C	.	.	H	α-helix	trans	-49.6	-52.3	179.7	-55.8	-172.3	-62.7	-74.8	0	113.7	I27 I28 G29 N30 V33 F38 L39 D77 T78 M101	I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; G29-K35 PolarHBondContact O-NZ 2.84Å; N30-K35 PolarHBondContact O-NZ 2.87Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; K35-L39 PolarHBondContact O-N 3.17Å; K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å
36	T	95.6	Very high	95.8	Very high	33 Å²	33	27.6 Å²	27.6	20%	0.202	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-46	179.4	-47.9	0	0	0	0	112	G34 F38 L39 F40 T54 D77	G34-T36 PolarHBondContact O-N 2.74Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; T36-L39 PolarHBondContact O-N 3.12Å; T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; T36-T54 PolarHBondContact OG1-OG1 3Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å
37	S	96.6	Very high	95.7	Very high	34 Å²	34	31 Å²	31	24%	0.238	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-35.8	176	-51.8	0	0	0	0	111.9	G34 F40 R41	G34-S37 PolarHBondContact O-N 3.44Å; S37-F40 PolarHBondContact O-N 3.37Å; S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å
38	F	97.9	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-43.6	176.7	-161.9	-98.3	0	0	0	111.6	G34 K35 T36 R41 Y42 I99 M101 A164 A166 V172 T175 F176	G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; F38-R41 PolarHBondContact O-N 3.33Å; F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å
39	L	97	Very high	94.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-47.3	173.2	177.6	55.7	0	0	0	111.6	I27 K35 T36 R41 Y42 A43 K60 I75 D77	I27-L39 HydrophobicContact CD1-CB 3.91Å; K35-L39 PolarHBondContact O-N 3.17Å; T36-L39 PolarHBondContact O-N 3.12Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-Y42 PolarHBondContact O-N 2.83Å; L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; L39-D77 HydrophobicContact CD2-CB 3.72Å
40	F	95.6	Very high	94.3	Very high	73 Å²	73	44.1 Å²	44.1	32%	0.32	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-40.2	179	-78.6	-49.2	0	0	0	112.6	T36 S37 Y42 A43 D44 D45 S46	T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.37Å; F40-Y42 PolarHBondContact O-N 3.09Å; F40-A43 PolarHBondContact O-N 3.2Å; F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; F40-D45 PolarHBondContact O-N 2.63Å; F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å
41	R	97.3	Very high	93.8	Very high	39 Å²	39	48.7 Å²	48.7	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-46.2	173.8	175.8	56.9	73.7	-167.4	3.9	111.1	S37 F38 L39 D45 S46 F47 A166 K167 N169 V172	S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å; F38-R41 PolarHBondContact O-N 3.33Å; L39-R41 PolarHBondContact O-N 2.91Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; R41-F47 VanDerWaalsContact NH2-CB 3.3Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; R41-K167 PolarHBondContact NH2-O 2.64Å; R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å
42	Y	97.8	Very high	93.4	Very high	19 Å²	19	53.1 Å²	53.1	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-44.9	179.2	177.5	-116.8	0	0	0	113	F38 L39 F40 K62 L73 I75 K173 F176	F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; L39-Y42 PolarHBondContact O-N 2.83Å; F40-Y42 PolarHBondContact O-N 3.09Å; Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; Y42-K173 HydrophobicContact CE2-CG 4.46Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å
43	A	95.1	Very high	93.1	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	31%	0.306	C	S	.	.	H	α-helix	trans	-83.3	-41.3	-168.3	0	0	0	0	0	112.4	L39 F40 K60 K62	L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; F40-A43 PolarHBondContact O-N 3.2Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å
44	D	93.3	Very high	92.3	Very high	83 Å²	83	54.6 Å²	54.6	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-123.4	2.9	-168.7	-57.1	-43.9	0	0	0	113.5	F40 S46 K60	F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; D44-S46 PolarHBondContact O-N 3.3Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å
45	D	94.8	Very high	91.4	Very high	109 Å²	109	59.1 Å²	59.1	58%	0.583	34%	0.34	S	S	*	.	S	Bend	trans	50.6	40.1	-174.2	-163.2	23.7	0	0	0	113.3	F40 R41	F40-D45 PolarHBondContact O-N 2.63Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å
46	S	94.3	Very high	90.8	Very high	47 Å²	47	59.5 Å²	59.5	33%	0.329	35%	0.347	S	S	.	.			trans	-123.4	149.9	-178	68.2	0	0	0	0	112.2	F40 R41 D44	F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; D44-S46 PolarHBondContact O-N 3.3Å
47	F	94.1	Very high	90.4	Very high	72 Å²	72	59.8 Å²	59.8	32%	0.316	35%	0.347	S	S	.	.			trans	-141.3	135.4	173.7	176.9	-94.1	0	0	0	109.4	R41 P49 A166 K167	R41-F47 VanDerWaalsContact NH2-CB 3.3Å; F47-P49 HydrophobicContact CE1-CB 4.15Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å
48	T	90.5	Very high	90	Very high	89 Å²	89	61.5 Å²	61.5	55%	0.546	35%	0.353	S	S	.	.			trans	-124.8	125.4	175.1	-66	0	0	0	0	108.4	A50	T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å
49	P	85.8	Confident	89.7	Confident	117 Å²	117	65.5 Å²	65.5	76%	0.76	37%	0.371	S	S	*	.			trans	-73.2	-17.1	179.5	29.4	-35	0	0	0	112.8	F47 F51	F47-P49 HydrophobicContact CE1-CB 4.15Å; P49-F51 PolarHBondContact O-N 3.24Å
50	A	84.8	Confident	89.6	Confident	68 Å²	68	67.8 Å²	67.8	56%	0.562	38%	0.38	S	S	*	.	S	Bend	trans	-64.8	120.2	176.5	0	0	0	0	0	110.3	T48 V52	T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å; A50-V52 PolarHBondContact O-N 3.01Å
51	F	83.9	Confident	89.6	Confident	129 Å²	129	67.7 Å²	67.7	57%	0.566	39%	0.386	S	S	*	.			trans	-80.5	119.2	174.4	175.8	-109.2	0	0	0	110.4	P49 S53	P49-F51 PolarHBondContact O-N 3.24Å; F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å
52	V	84	Confident	89.5	Confident	117 Å²	117	68.6 Å²	68.6	71%	0.709	39%	0.391	S	S	*	.			trans	-122.4	123.4	169	-176.9	0	0	0	0	107.4	A50 T54	A50-V52 PolarHBondContact O-N 3.01Å; V52-T54 PolarHBondContact O-N 2.74Å
53	S	87	Confident	89.4	Confident	47 Å²	47	70 Å²	70	33%	0.329	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-68.6	122.5	176.8	-71.6	0	0	0	0	110.3	F51 V55	F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å; S53-V55 PolarHBondContact O-N 3.4Å
54	T	79.9	Confident	89.4	Confident	32 Å²	32	70.2 Å²	70.2	20%	0.196	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-63.5	123.7	173	-44.9	0	0	0	0	109.9	T36 V52 A79	T36-T54 PolarHBondContact OG1-OG1 3Å; V52-T54 PolarHBondContact O-N 2.74Å; T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å
55	V	79.3	Confident	89.4	Confident	107 Å²	107	73.9 Å²	73.9	65%	0.648	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-100	122.2	173.9	175.8	0	0	0	0	107.8	S53	S53-V55 PolarHBondContact O-N 3.4Å
56	G	81.7	Confident	89.2	Confident	17 Å²	17	71.4 Å²	71.4	18%	0.175	39%	0.391	C	S	.	.	S	Bend	trans	74.8	-129.9	-176.8	0	0	0	0	0	112.7	A79	G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å
57	I	87.1	Confident	88.9	Confident	39 Å²	39	75.8 Å²	75.8	20%	0.2	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.8	-175.4	-56.3	-175.9	0	0	0	108.8	W76 D77 T78 I87 Y91	I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å
58	D	89.8	Confident	88.7	Confident	71 Å²	71	80.2 Å²	80.2	38%	0.38	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	151.6	171.7	-163.8	8.3	0	0	0	110.2	W76 D77	D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å
59	F	91.5	Very high	88.8	Confident	83 Å²	83	79.9 Å²	79.9	36%	0.364	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.4	-171.3	174.6	-104.5	0	0	0	111.2	V61 Q74 W76	F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å
60	K	93.9	Very high	89.2	Confident	50 Å²	50	76 Å²	76	22%	0.217	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.8	178.9	-152.1	159.2	-155.4	-73.9	0	111.4	L39 A43 D44 I75	L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å
61	V	95.1	Very high	89.7	Confident	71 Å²	71	72.9 Å²	72.9	43%	0.43	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.1	171	-177.9	0	0	0	0	108.8	F59 K72 L73 Q74	F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å
62	K	95.2	Very high	90.3	Very high	59 Å²	59	68.3 Å²	68.3	26%	0.257	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.1	169.8	-164.5	-171.9	-179.2	92.5	0	109.1	Y42 A43 I64 L73 I75	Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å; K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; K62-I75 HydrophobicContact CB-CD1 4.44Å
63	T	95.4	Very high	91	Very high	47 Å²	47	62.8 Å²	62.8	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.4	174	-53.6	0	0	0	0	109.6	R70 I71 K72	T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; T63-K72 HydrophobicContact CG2-CG 4.36Å
64	I	95.4	Very high	91.5	Very high	21 Å²	21	63 Å²	63	11%	0.108	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	165.8	175.9	66.1	167.8	0	0	0	110.3	K62 R66 I71 L73 V180	K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; I64-R66 HydrophobicContact CD1-CG 3.98Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å
65	Y	93.6	Very high	92.3	Very high	159 Å²	159	61.5 Å²	61.5	62%	0.624	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.1	172.9	-68.5	-95	0	0	0	109.2	K69 R70	Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å
66	R	90.4	Very high	93.1	Very high	57 Å²	57	58.8 Å²	58.8	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.7	174.9	-69.3	-62	-114.6	-160.5	4	109.1	I64 D68 K69 I71 E177 V180 D181	I64-R66 HydrophobicContact CD1-CG 3.98Å; R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å
67	N	88.8	Confident	93.7	Very high	139 Å²	139	58 Å²	58	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	48.8	179	-56	-26.6	0	0	0	113.3	K69	N67-K69 PolarHBondContact O-N 3.36Å
68	D	89	Confident	93.8	Very high	166 Å²	166	56.1 Å²	56.1	89%	0.888	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	13.8	-176	-57.4	-43.2	0	0	0	115.5	R66	R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å
69	K	92.2	Very high	93.5	Very high	82 Å²	82	52.7 Å²	52.7	36%	0.357	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.8	175.3	-60.1	-65.7	-177.7	-176	0	110.7	D20 Y21 Y65 R66 N67 I71	D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; N67-K69 PolarHBondContact O-N 3.36Å; K69-I71 HydrophobicContact CB-CG1 4.35Å
70	R	94.9	Very high	92.8	Very high	35 Å²	35	49.2 Å²	49.2	13%	0.132	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.4	172.7	-172.4	174.2	178.5	-158.5	1.1	109	S15 D16 N18 F19 D20 Y21 T63 Y65	S15-R70 PolarHBondContact O-NH1 3.08Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å; F19-R70 HydrophobicContact CB-CG 4.49Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å; Y21-R70 PolarHBondContact N-O 2.87Å; T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å
71	I	96.6	Very high	92.2	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.1	-175	-51.8	-179.4	0	0	0	109.1	Y21 F23 T63 I64 R66 K69 L73 V180	Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; K69-I71 HydrophobicContact CB-CG1 4.35Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å
72	K	96.5	Very high	91.1	Very high	34 Å²	34	52.8 Å²	52.8	15%	0.148	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116	170.2	-74.6	-168.4	178.6	-177.9	0	110.4	D16 F19 Y21 M22 F23 V61 T63	D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å; Y21-K72 PolarHBondContact O-N 3.2Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; F23-K72 PolarHBondContact N-O 3.09Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; T63-K72 HydrophobicContact CG2-CG 4.36Å
73	L	97.6	Very high	90.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.7	171.9	-50.8	-174.6	0	0	0	109.1	F23 I25 Y42 V61 K62 I64 I71 I75 V180	F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å
74	Q	97.1	Very high	89.5	Confident	52 Å²	52	60 Å²	60	24%	0.243	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	93.9	168.8	-77.4	-169.1	-30	0	0	108.1	M22 F23 I25 F59 V61 W76	M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å; F23-Q74 PolarHBondContact O-N 3.26Å; I25-Q74 PolarHBondContact N-O 3.26Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å
75	I	97.4	Very high	88.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.3	-173.5	-49.5	165.3	0	0	0	109	I25 I27 L39 Y42 K60 K62 L73 F176	I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å; K62-I75 HydrophobicContact CB-CD1 4.44Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å
76	W	95.4	Very high	87.9	Confident	50 Å²	50	61.7 Å²	61.7	19%	0.189	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	109.8	-179.5	-61.7	78.6	0	0	0	108.7	I25 L26 I27 I57 D58 F59 Q74 Y91	I25-W76 PolarHBondContact O-N 3.02Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; I27-W76 PolarHBondContact N-O 3.25Å; I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å
77	D	93.8	Very high	87.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.1	171.8	177.3	39.6	0	0	0	109.5	K35 T36 L39 I57 D58	K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å; L39-D77 HydrophobicContact CD2-CB 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å
78	T	89.2	Confident	86.9	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.4	-170.6	66.4	0	0	0	0	112	I27 I28 K35 I57 G80 T88	I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; T78-G80 PolarHBondContact O-N 3.39Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å
79	A	85.3	Confident	86.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.224	C	C	.	.			trans	-63.7	136.5	167.3	0	0	0	0	0	110.8	T54 G56 Y84	T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å; G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å; A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å
80	G	75.7	Confident	86.3	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	24%	0.237	C	C	.	.			trans	-95.6	3.5	178.1	0	0	0	0	0	115	G29 S31 T78	G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; S31-G80 PolarHBondContact N-O 2.98Å; T78-G80 PolarHBondContact O-N 3.39Å
81	Q	80.4	Confident	86	Confident	67 Å²	67	51.1 Å²	51.1	31%	0.313	25%	0.245	S	C	.	.	S	Bend	trans	-83.3	142.3	178.7	-62.5	-72.1	16.8	0	0	110.5	S31 R83 Y84	S31-Q81 PolarHBondContact OG-NE2 2.94Å; Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å
82	E	72.7	Confident	85.8	Confident	129 Å²	129	51 Å²	51	60%	0.603	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62.4	-35.8	-175.6	97.7	-64.9	175.3	0	0	112.2	Y84 R85	E82-Y84 PolarHBondContact O-N 2.76Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å
83	R	78.4	Confident	85.5	Confident	195 Å²	195	59.4 Å²	59.4	74%	0.736	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.2	177.6	-62.9	-171.4	-71.2	168.1	-0.2	113.9	Q81	Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å
84	Y	78.7	Confident	85.2	Confident	64 Å²	64	61 Å²	61	25%	0.251	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-101.5	3.4	176.6	-58.3	-54.7	0	0	0	113.3	A79 Q81 E82 T86 I87 T88	A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å; E82-Y84 PolarHBondContact O-N 2.76Å; Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å
85	R	76.6	Confident	85.1	Confident	94 Å²	94	58.5 Å²	58.5	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-57.5	-40.2	-173.2	-166.7	173.1	-174.4	177.1	0.9	113.2	E82 I87 T88 T89 Q119	E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; R85-T88 PolarHBondContact O-N 2.7Å; R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å
86	T	78.9	Confident	85.1	Confident	120 Å²	120	59.9 Å²	59.9	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-63.3	-36	176	-52	0	0	0	0	112.7	Y84 T89 A90	Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; T86-T89 PolarHBondContact O-OG1 2.91Å; T86-A90 PolarHBondContact O-N 3.41Å
87	I	77.2	Confident	85.2	Confident	78 Å²	78	57.5 Å²	57.5	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-49	175.4	-60.9	176.5	0	0	0	108.2	I57 Y84 R85 T89 A90 Y91	I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; I87-T89 PolarHBondContact O-N 2.89Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å
88	T	80.8	Confident	85.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.8	-47.2	179.7	-61.9	0	0	0	0	112.8	I28 T78 Y84 R85 A90 Y91 Y92 W116	I28-T88 HydrophobicContact CG2-CG2 4.37Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å; R85-T88 PolarHBondContact O-N 2.7Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 3.2Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å
89	T	83	Confident	85.9	Confident	24 Å²	24	57.5 Å²	57.5	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-26.8	-178.2	55.4	0	0	0	0	113.3	R85 T86 I87 Y91 Y92 Q119 Y123	R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; T86-T89 PolarHBondContact O-OG1 2.91Å; I87-T89 PolarHBondContact O-N 2.89Å; T89-Y91 PolarHBondContact O-N 3.03Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å
90	A	86.2	Confident	86.5	Confident	74 Å²	74	57.5 Å²	57.5	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-61.9	-24.4	175.5	0	0	0	0	0	113.1	T86 I87 T88	T86-A90 PolarHBondContact O-N 3.41Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å
91	Y	88.7	Confident	87.6	Confident	81 Å²	81	57.1 Å²	57.1	32%	0.318	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.9	179.5	-66.9	-102.4	0	0	0	113.4	K24 I57 W76 I87 T88 T89 R93	K24-Y91 PolarHBondContact NZ-O 2.96Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å; T88-Y91 PolarHBondContact O-N 3.2Å; T89-Y91 PolarHBondContact O-N 3.03Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å
92	Y	92.5	Very high	88.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.259	C	S	.	.			trans	-68.6	-29	-178	-76	20.6	0	0	0	111.8	L26 I28 T88 T89 G94 A95 F98 W116 Q119 I120	L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; Y92-G94 PolarHBondContact O-N 3.37Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å
93	R	90.2	Very high	89.7	Confident	211 Å²	211	48 Å²	48	80%	0.796	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	123.3	175.2	-173.3	176.7	171.9	83.8	1.4	110.3	K24 Y91 A95	K24-R93 PolarHBondContact NZ-O 2.98Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å
94	G	91.4	Very high	90.6	Very high	33 Å²	33	38.7 Å²	38.7	34%	0.34	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	11	179.5	0	0	0	0	0	115.2	K24 Y92 M96 W125	K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; Y92-G94 PolarHBondContact O-N 3.37Å; G94-M96 PolarHBondContact O-N 2.66Å; G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å
95	A	95.5	Very high	91.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.			trans	-75.5	105.5	170	0	0	0	0	0	113.7	K24 L26 Y92 R93 G97 F98 W125 A128	K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; A95-A128 WeakPolarHBondContact O-CB 3.34Å
96	M	96.4	Very high	92.6	Very high	28 Å²	28	35.2 Å²	35.2	14%	0.138	19%	0.19	C	C	.	.			trans	-69.8	-31.1	-175.3	-67	174.8	83.3	0	0	112.1	F23 K24 G94 W125 Q129 I183 M187	F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; K24-M96 PolarHBondContact O-N 3.31Å; G94-M96 PolarHBondContact O-N 2.66Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; M96-Q129 PolarHBondContact O-N 2.86Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å
97	G	97.7	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.9	-178.7	0	0	0	0	0	112.4	K24 I25 L26 A95 Q129	K24-G97 PolarHBondContact O-N 2.89Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; L26-G97 PolarHBondContact N-O 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å
98	F	98.2	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.7	170.5	-67.8	-95.6	0	0	0	109.8	L26 I28 Y92 A95 I120 A128 Q129 V130 L131	L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; F98-Q129 PolarHBondContact N-O 2.94Å; F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; F98-L131 PolarHBondContact O-N 2.79Å
99	I	98.7	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	103.9	162	-60.9	177.2	0	0	0	105.8	I25 L26 I27 I28 F38 M101 V133 T175 F176 L179	I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; L26-I99 PolarHBondContact O-N 3.05Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I28-I99 PolarHBondContact N-O 3.24Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å
100	L	98.3	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.9	175.8	175.3	51.8	0	0	0	108.8	I28 V113 W116 I120 V130 L131 L132 V133 F159	I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; L100-L131 PolarHBondContact N-O 2.86Å; L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; L100-V133 PolarHBondContact O-N 2.85Å; L100-F159 HydrophobicContact CD2-CE2 4.2Å
101	M	98.6	Very high	96.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136	-170.6	-166	173.4	-73.5	0	0	112.2	I27 I28 G29 V33 K35 F38 I99 V133 N135	I27-M101 HydrophobicContact CG2-CE 4.44Å; I28-M101 PolarHBondContact O-N 2.97Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å
102	Y	98.7	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	168.9	163.3	73.3	-86.6	0	0	0	109.8	I104 F110 V113 L132 V133 G134 N135 V145 G150 F161	Y102-I104 HydrophobicContact CE2-CG2 4.03Å; Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; Y102-N135 PolarHBondContact O-N 3.3Å; Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å
103	D	98.6	Very high	97.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.3	176.7	174.7	2.7	0	0	0	109.4	V33 T105 N106 S109 K136	V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å
104	I	98.8	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.8	-176.7	65.5	149	0	0	0	113.6	Y102 N135 K136 C137 R143 V144 V145	Y102-I104 HydrophobicContact CE2-CG2 4.03Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; I104-C137 HydrophobicContact CD1-CB 4.46Å; I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; I104-V144 PolarHBondContact O-N 3.41Å; I104-V145 PolarHBondContact O-N 3.33Å
105	T	98.6	Very high	97.8	Very high	33 Å²	33	30.3 Å²	30.3	20%	0.202	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	0.3	176.6	74.2	0	0	0	0	112.4	D103 M139 E142 V144	D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å
106	N	98.3	Very high	97.7	Very high	51 Å²	51	31 Å²	31	27%	0.273	16%	0.157	S	C	.	.			trans	-128.8	100.2	-176.7	-173	-38.2	0	0	0	112.3	D103 E108 S109 F110	D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; N106-F110 PolarHBondContact O-N 2.67Å
107	E	98.3	Very high	97.7	Very high	62 Å²	62	29.7 Å²	29.7	29%	0.29	15%	0.151	S	C	.	.	H	α-helix	trans	-58.9	-36.8	178.8	-174.2	64.3	-152.8	0	0	113.3	S109 F110 N111 V144 R149	E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å; E107-F110 PolarHBondContact O-N 3.36Å; E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å
108	E	97.9	Very high	97.5	Very high	143 Å²	143	33.6 Å²	33.6	67%	0.668	18%	0.175	S	C	*	.	H	α-helix	trans	-64.5	-39.9	178	-173.9	-175.6	176.1	0	0	111.3	N106 F110 N111 A112	N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å
109	S	98.1	Very high	97.2	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-34	176.9	81.3	0	0	0	0	112.7	D103 N106 E107	D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å
110	F	98.7	Very high	97	Very high	16 Å²	16	34.4 Å²	34.4	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-71.2	-45.1	174.6	175.8	-103	0	0	0	111.6	Y102 N106 E107 E108 A112 V113 V145 R149 L153	Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; N106-F110 PolarHBondContact O-N 2.67Å; E107-F110 PolarHBondContact O-N 3.36Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; F110-A112 PolarHBondContact O-N 3.42Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å
111	N	98	Very high	96.7	Very high	87 Å²	87	40.7 Å²	40.7	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-34	178	-69.9	-33.1	0	0	0	112.2	E107 E108 V113	E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E108-N111 PolarHBondContact O-N 3.11Å; N111-V113 PolarHBondContact O-N 3.01Å
112	A	96.9	Very high	96.5	Very high	15 Å²	15	44.8 Å²	44.8	12%	0.124	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.8	176.5	0	0	0	0	0	114.5	N30 E108 F110 Q114 D115 W116	N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å; F110-A112 PolarHBondContact O-N 3.42Å; A112-Q114 PolarHBondContact O-N 2.99Å; A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å
113	V	97.9	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-37	-179.5	168.6	0	0	0	0	111.8	L100 Y102 F110 N111 D115 W116 S117 L132 L153 L157	L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; N111-V113 PolarHBondContact O-N 3.01Å; V113-D115 PolarHBondContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; V113-L157 HydrophobicContact CG1-CD1 3.88Å
114	Q	96.5	Very high	95.7	Very high	103 Å²	103	51.7 Å²	51.7	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-40.2	178.4	-66.6	-176.5	38.1	0	0	112	A112 S117 T118 L153	A112-Q114 PolarHBondContact O-N 2.99Å; Q114-S117 PolarHBondContact O-N 2.68Å; Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å
115	D	94.2	Very high	95.1	Very high	90 Å²	90	56.4 Å²	56.4	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-38	176.4	-75.7	-0.5	0	0	0	111.8	A112 V113 Q119	A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; V113-D115 PolarHBondContact O-N 3.08Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å
116	W	94.7	Very high	94.3	Very high	14 Å²	14	62.6 Å²	62.6	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-45.9	172.8	-72.5	111.3	0	0	0	111.7	I28 N30 T88 Y92 L100 A112 V113 T118 Q119 I120	I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å
117	S	94.9	Very high	93.8	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-43.2	175.7	-177.9	0	0	0	0	111.9	V113 Q114 Q119 I120 K121 F159	V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; Q114-S117 PolarHBondContact O-N 2.68Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; S117-I120 PolarHBondContact O-N 2.98Å; S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å
118	T	93.9	Very high	93.6	Very high	81 Å²	81	62 Å²	62	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-40	177.2	-59.5	0	0	0	0	111.8	Q114 W116 K121 T122	Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; T118-K121 PolarHBondContact O-N 3.14Å; T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å
119	Q	92.2	Very high	93.6	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-41.4	175.2	-70.8	166.5	90.1	0	0	112.5	R85 T89 Y92 D115 W116 S117 K121 T122 Y123	R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å; Q119-T122 PolarHBondContact O-N 3.42Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å
120	I	94	Very high	93.6	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-57.7	-49.2	175.5	-61.2	168.4	0	0	0	109.1	I28 Y92 F98 L100 W116 S117 T122 S124 V130	I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å; S117-I120 PolarHBondContact O-N 2.98Å; I120-T122 PolarHBondContact O-N 3.15Å; I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å
121	K	93	Very high	93.6	Very high	132 Å²	132	57 Å²	57	57%	0.574	29%	0.29	S	S	*	.	H	α-helix	trans	-62.5	-30.5	179.5	-67.5	176.9	-177	-179.2	0	113.1	S117 T118 Q119	S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; T118-K121 PolarHBondContact O-N 3.14Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å
122	T	93.2	Very high	93.6	Very high	87 Å²	87	52.9 Å²	52.9	53%	0.534	27%	0.268	S	S	.	.	H	α-helix	trans	-83.1	-39.7	-177.1	-55.6	0	0	0	0	113.1	T118 Q119 I120	T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å; Q119-T122 PolarHBondContact O-N 3.42Å; I120-T122 PolarHBondContact O-N 3.15Å
123	Y	92	Very high	93.7	Very high	125 Å²	125	52.2 Å²	52.2	49%	0.49	26%	0.262	S	S	.	.	H	α-helix	trans	-116	-10.2	-167.7	-57.6	-67.7	0	0	0	114.5	T89 Q119	T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å
124	S	90.4	Very high	93.7	Very high	25 Å²	25	52.2 Å²	52.2	18%	0.175	26%	0.262	C	S	.	.	S	Bend	trans	-91.9	-166.5	172.5	87.6	0	0	0	0	110.4	I120	I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å
125	W	84.8	Confident	93.8	Very high	99 Å²	99	47.4 Å²	47.4	38%	0.375	24%	0.24	S	C	.	.			trans	-115.7	142.3	-172.4	37.9	-45.2	0	0	0	105.3	G94 A95 M96 N127 A128	G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; W125-N127 PolarHBondContact O-N 2.84Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å
126	D	83.2	Confident	94	Very high	163 Å²	163	45.5 Å²	45.5	87%	0.872	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.8	-163.9	-61.1	-24.3	0	0	0	114.4
127	N	87.2	Confident	94.2	Very high	85 Å²	85	45.9 Å²	45.9	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6	179.7	-70.5	-29.1	0	0	0	114.6	W125 Q129	W125-N127 PolarHBondContact O-N 2.84Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å
128	A	94.4	Very high	94.4	Very high	15 Å²	15	47.7 Å²	47.7	12%	0.124	24%	0.241	C	C	.	.			trans	-66.2	129.5	177.7	0	0	0	0	0	111.2	A95 F98 W125	A95-A128 WeakPolarHBondContact O-CB 3.34Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å
129	Q	96.9	Very high	94.6	Very high	41 Å²	41	46.2 Å²	46.2	19%	0.192	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.8	-179.9	-56.5	-54.2	-52.4	0	0	110.3	M96 G97 F98 N127 L179 V182 I183	M96-Q129 PolarHBondContact O-N 2.86Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å; F98-Q129 PolarHBondContact N-O 2.94Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å
130	V	97.8	Very high	94.8	Very high	15 Å²	15	50.8 Å²	50.8	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.5	-176.4	-170.4	0	0	0	0	110.1	F98 L100 I120 F159	F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å
131	L	98.6	Very high	95	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.5	165.7	-59	-172.3	0	0	0	109.5	F98 L100 E160 F162 T175 R178 L179	F98-L131 PolarHBondContact O-N 2.79Å; L100-L131 PolarHBondContact N-O 2.86Å; L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å
132	L	98.8	Very high	95.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.9	168.4	-176.4	63.2	0	0	0	109.6	L100 Y102 V113 L153 A154 F159 E160 F161 F162	L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; L132-F159 HydrophobicContact CB-CB 4.39Å; L132-E160 PolarHBondContact N-O 3.47Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; L132-F162 PolarHBondContact O-N 3.48Å
133	V	98.9	Very high	95.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.6	-179.5	-177	0	0	0	0	110.7	I99 L100 M101 Y102 N135 F162 A164 T175	I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; L100-V133 PolarHBondContact O-N 2.85Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; V133-N135 PolarHBondContact O-N 3.49Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å
134	G	98.8	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	99.7	164	0	0	0	0	0	109.6	Y102 F162 E163 A164	Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; G134-F162 PolarHBondContact N-O 3.39Å; G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; G134-A164 PolarHBondContact O-N 2.84Å
135	N	98.8	Very high	96.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	164.6	-177.1	-170.9	40.8	0	0	0	112	V33 M101 Y102 I104 V133 A164 A166	V33-N135 PolarHBondContact O-ND2 3.29Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å; Y102-N135 PolarHBondContact O-N 3.3Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; V133-N135 PolarHBondContact O-N 3.49Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; N135-A166 PolarHBondContact OD1-N 3.07Å
136	K	98.3	Very high	96.9	Very high	50 Å²	50	50.3 Å²	50.3	22%	0.217	26%	0.263	C	S	.	.			trans	70.4	34.4	-177.4	-45.6	-169	-164.7	167.1	0	114	S32 D103 I104 D138 M139 A164	S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; K136-D138 PolarHBondContact O-N 3.13Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; K136-A164 PolarHBondContact N-O 3.31Å
137	C	98.4	Very high	97.6	Very high	21 Å²	21	44.6 Å²	44.6	14%	0.142	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.8	175.8	68.9	0	0	0	0	114.8	I104 M139 E163 A164	I104-C137 HydrophobicContact CD1-CB 4.46Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-E163 HydrophobicContact CB-CB 4.15Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å
138	D	98.3	Very high	98.1	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.214	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.4	167	61.5	-77.3	0	0	0	113.6	K136 E140 S165 K167 D168	K136-D138 PolarHBondContact O-N 3.13Å; D138-E140 PolarHBondContact O-N 2.83Å; D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å
139	M	97.6	Very high	98.3	Very high	49 Å²	49	50 Å²	50	24%	0.241	25%	0.253	C	S	.	.			trans	-98.6	47.9	-178.2	-58.9	-177	67.2	0	0	112.1	T105 K136 C137 D141 E142 R143	T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; C137-M139 PolarHBondContact O-N 2.87Å; M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; M139-R143 PolarHBondContact O-N 3.47Å
140	E	97.7	Very high	98.4	Very high	109 Å²	109	48.1 Å²	48.1	51%	0.509	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-59.1	-36.8	-173.9	-168.2	60.3	-149.3	0	0	113.1	D138 E142 R143	D138-E140 PolarHBondContact O-N 2.83Å; E140-E142 PolarHBondContact O-N 2.83Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å
141	D	98.2	Very high	98.5	Very high	174 Å²	174	54.5 Å²	54.5	93%	0.93	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.5	178.3	-64	-36	0	0	0	113.3	M139	M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å
142	E	98.2	Very high	98.5	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-105.9	5.3	179.4	-64.4	179	-125.4	0	0	112.3	T105 M139 E140 V144	T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; E140-E142 PolarHBondContact O-N 2.83Å; E142-V144 PolarHBondContact O-N 3.01Å
143	R	98.7	Very high	98.4	Very high	46 Å²	46	60.1 Å²	60.1	17%	0.174	29%	0.293	C	S	.	.			trans	-61.5	128.7	-176.9	179.6	-177.6	-72.3	-88.4	9.4	111.3	I104 M139 E140 V145 E163	I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; M139-R143 PolarHBondContact O-N 3.47Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å
144	V	98.6	Very high	98.4	Very high	74 Å²	74	60.1 Å²	60.1	45%	0.448	29%	0.293	S	S	.	.			trans	-115.5	-21.6	171.4	-53.7	0	0	0	0	112.5	I104 T105 E107 E142	I104-V144 PolarHBondContact O-N 3.41Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E142-V144 PolarHBondContact O-N 3.01Å
145	V	98.7	Very high	98.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-108.6	117.2	175.1	-172.1	0	0	0	0	109.5	Y102 I104 F110 R143 R149	Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; I104-V145 PolarHBondContact O-N 3.33Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; V145-R149 HydrophobicContact CG1-CB 4.21Å
146	S	98.5	Very high	98.4	Very high	45 Å²	45	72.4 Å²	72.4	32%	0.315	35%	0.354	S	S	.	.			trans	-71.9	150.6	175.2	69.2	0	0	0	0	111.8	E148 R149 G150	S146-E148 PolarHBondContact O-N 3.07Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å
147	S	98.3	Very high	98.3	Very high	44 Å²	44	71 Å²	71	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-31	174.9	-41.9	0	0	0	0	112.5	G150 R151 F161 E163	S147-G150 PolarHBondContact O-N 3.01Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å
148	E	98.6	Very high	98.2	Very high	132 Å²	132	73.3 Å²	73.3	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-46.6	175.1	-175.4	-180	-179.6	0	0	111.7	S146 G150 R151 Q152	S146-E148 PolarHBondContact O-N 3.07Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; E148-R151 PolarHBondContact O-N 3.25Å; E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å
149	R	98.5	Very high	98.2	Very high	82 Å²	82	72.4 Å²	72.4	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-41.1	175.7	-71	176.4	68.8	-152.8	-2.2	111.3	E107 F110 V145 S146 Q152 L153	E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; V145-R149 HydrophobicContact CG1-CB 4.21Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; R149-Q152 PolarHBondContact O-N 3.04Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å
150	G	98.6	Very high	98.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-54.6	-51.7	172.6	0	0	0	0	0	112.7	Y102 S146 S147 E148 L153 A154	Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å; S147-G150 PolarHBondContact O-N 3.01Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; G150-L153 PolarHBondContact O-N 3.12Å; G150-A154 PolarHBondContact O-N 3.48Å
151	R	98.6	Very high	98.2	Very high	149 Å²	149	69.8 Å²	69.8	56%	0.562	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-46.8	179	-172.8	172.9	-64.4	163.4	3	112.5	S147 E148 L153 A154 D155 F161	S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; E148-R151 PolarHBondContact O-N 3.25Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å
152	Q	98.6	Very high	98.2	Very high	105 Å²	105	63.5 Å²	63.5	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-57.3	-41.8	177.7	-74.4	173.5	-0.8	0	0	111.9	E148 R149 H156	E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å; R149-Q152 PolarHBondContact O-N 3.04Å; Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å
153	L	98.5	Very high	98.2	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-41.8	175.8	-179.1	60.7	0	0	0	111.8	F110 V113 Q114 L132 R149 G150 R151 H156 L157	F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å; G150-L153 PolarHBondContact O-N 3.12Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; L153-H156 PolarHBondContact O-N 3.36Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å
154	A	98.6	Very high	98.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-47.4	176.6	0	0	0	0	0	111.6	L132 G150 R151 H156 L157 G158 F159 F161	L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; G150-A154 PolarHBondContact O-N 3.48Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; A154-G158 PolarHBondContact O-N 2.98Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å
155	D	98.3	Very high	98.2	Very high	112 Å²	112	53.4 Å²	53.4	60%	0.599	27%	0.271	S	S	*	.	H	α-helix	trans	-59	-43.9	177.2	-65.7	-20.7	0	0	0	110.9	R151 L157 G158	R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; D155-G158 PolarHBondContact O-N 3.47Å
156	H	97.9	Very high	98.2	Very high	148 Å²	148	53.6 Å²	53.6	69%	0.685	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-37.1	175.9	178.6	69.8	0	0	0	112.9	Q152 L153 A154	Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å; L153-H156 PolarHBondContact O-N 3.36Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å
157	L	96.7	Very high	98.2	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-84.5	-11.6	179.7	-66	176	0	0	0	113.4	V113 L153 A154 D155 F159	V113-L157 HydrophobicContact CG1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å
158	G	96.3	Very high	98.2	Very high	68 Å²	68	58.6 Å²	58.6	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	29.9	-174.4	0	0	0	0	0	113.6	A154 D155	A154-G158 PolarHBondContact O-N 2.98Å; D155-G158 PolarHBondContact O-N 3.47Å
159	F	97.6	Very high	98.1	Very high	22 Å²	22	55.7 Å²	55.7	10%	0.096	28%	0.276	C	S	.	.			trans	-108.4	148.4	-179.2	-57.4	-18.6	0	0	0	110.8	L100 S117 V130 L132 A154 L157	L100-F159 HydrophobicContact CD2-CE2 4.2Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å; L132-F159 HydrophobicContact CB-CB 4.39Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å
160	E	97.5	Very high	98.1	Very high	69 Å²	69	55 Å²	55	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.8	165.5	-83.4	-177.1	-138.4	0	0	110.5	L131 L132 R178	L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L132-E160 PolarHBondContact N-O 3.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å
161	F	98.6	Very high	98.1	Very high	33 Å²	33	57.5 Å²	57.5	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.9	-172.6	178.5	-117.9	0	0	0	113.1	Y102 L132 S147 R151 A154 E163	Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å
162	F	98.7	Very high	98.1	Very high	43 Å²	43	50.4 Å²	50.4	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.4	168.8	-69.2	-95.3	0	0	0	110.5	L131 L132 V133 G134 N171 R178	L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L132-F162 PolarHBondContact O-N 3.48Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; G134-F162 PolarHBondContact N-O 3.39Å; F162-N171 HydrophobicContact CD1-CB 4.42Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å
163	E	98.7	Very high	98.1	Very high	31 Å²	31	51 Å²	51	15%	0.145	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.1	153.1	-71.7	-163.2	166.9	0	0	109.7	G134 C137 R143 S147 F161 N171	G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; C137-E163 HydrophobicContact CB-CB 4.15Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å
164	A	98.8	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.7	-174.8	0	0	0	0	0	112.4	F38 V133 G134 N135 K136 C137 I170 N171	F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; G134-A164 PolarHBondContact O-N 2.84Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; K136-A164 PolarHBondContact N-O 3.31Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å; A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; A164-N171 HydrophobicContact CB-CB 4.07Å
165	S	98.6	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-134.7	115.4	170.3	174.1	0	0	0	0	109.4	D138 K167 D168 N169 I170 V172	D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; S165-D168 PolarHBondContact OG-N 2.96Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å
166	A	98.1	Very high	98.1	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.3	170	0	0	0	0	0	112.3	F38 R41 F47 N135	F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; N135-A166 PolarHBondContact OD1-N 3.07Å
167	K	97.8	Very high	98.1	Very high	102 Å²	102	44.2 Å²	44.2	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-56	-178.9	-178.1	-162.4	178.9	-174	0	110.6	R41 F47 D138 S165 N169	R41-K167 PolarHBondContact NH2-O 2.64Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å
168	D	98.1	Very high	98.1	Very high	92 Å²	92	46.3 Å²	46.3	49%	0.492	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4.2	-174.9	-69.2	2.2	0	0	0	112.9	D138 S165 I170	D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å; S165-D168 PolarHBondContact OG-N 2.96Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å
169	N	98	Very high	98.2	Very high	71 Å²	71	43.1 Å²	43.1	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	37.2	179.9	-163.9	24.5	0	0	0	113.9	R41 S165 K167	R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å
170	I	98.7	Very high	98.2	Very high	69 Å²	69	42 Å²	42	35%	0.354	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-87.9	125.7	178.1	-60.2	171.7	0	0	0	108.8	A164 S165 D168 V172	A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å; I170-V172 PolarHBondContact O-N 3.3Å
171	N	98.5	Very high	98.1	Very high	52 Å²	52	40.6 Å²	40.6	28%	0.278	19%	0.193	S	C	.	.	S	Bend	trans	56.3	11.4	176	-66.4	-29	0	0	0	116.6	F162 E163 A164 Q174 T175	F162-N171 HydrophobicContact CD1-CB 4.42Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å; A164-N171 HydrophobicContact CB-CB 4.07Å; N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å
172	V	98.7	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-58.9	-178.9	-179.2	0	0	0	0	110.4	F38 R41 S165 I170 Q174 T175 F176	F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å; I170-V172 PolarHBondContact O-N 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; V172-T175 PolarHBondContact O-N 2.94Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å
173	K	97.7	Very high	97.9	Very high	117 Å²	117	37.9 Å²	37.9	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-43.3	179.2	-179.9	176.6	170.5	-176.2	0	111.4	Y42 T175 F176 E177	Y42-K173 HydrophobicContact CE2-CG 4.46Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; K173-F176 PolarHBondContact O-N 2.88Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å
174	Q	98.3	Very high	97.6	Very high	89 Å²	89	38 Å²	38	42%	0.416	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-40.1	-179	-65.2	86.4	-29.5	0	0	111.9	N171 V172 E177 R178	N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; Q174-E177 PolarHBondContact O-N 3.09Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å
175	T	98.7	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-51.3	177.2	-61.2	0	0	0	0	111.4	F38 I99 L131 V133 N171 V172 K173 E177 R178 L179	F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å; V172-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; T175-R178 PolarHBondContact O-N 3.14Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å
176	F	98.3	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-42.1	179.1	-78.3	-84.2	0	0	0	111.9	I27 F38 Y42 I75 I99 V172 K173 L179 V180	I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å; K173-F176 PolarHBondContact O-N 2.88Å; F176-L179 PolarHBondContact O-N 3.16Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å
177	E	97.1	Very high	96.4	Very high	45 Å²	45	47.7 Å²	47.7	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.4	-86.2	-166.8	-179.8	0	0	112.3	R66 K173 Q174 T175 L179 V180 D181	R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å; Q174-E177 PolarHBondContact O-N 3.09Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; E177-L179 PolarHBondContact O-N 3.42Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; E177-D181 PolarHBondContact O-N 3Å
178	R	98	Very high	95.9	Very high	67 Å²	67	45.5 Å²	45.5	25%	0.253	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-44	175.6	-179.4	58.8	-173.5	143.2	1.4	111.3	L131 E160 F162 Q174 T175 V180 D181 V182 E185	L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å; T175-R178 PolarHBondContact O-N 3.14Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å
179	L	98.1	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-40.9	178	-178.5	56.6	0	0	0	111.8	I25 I99 Q129 L131 T175 F176 E177 V182 I183	I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å; F176-L179 PolarHBondContact O-N 3.16Å; E177-L179 PolarHBondContact O-N 3.42Å; L179-V182 PolarHBondContact O-N 2.76Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å
180	V	97.5	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-44.2	174.9	167.6	0	0	0	0	111.2	F23 I25 I64 R66 I71 L73 F176 E177 R178 I183 C184	F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; V180-I183 PolarHBondContact O-N 3.07Å; V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å
181	D	96.3	Very high	93.1	Very high	39 Å²	39	47.8 Å²	47.8	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-45.1	-179.9	-60.2	-24	0	0	0	110.7	R66 E177 R178 I183 C184 E185	R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å; E177-D181 PolarHBondContact O-N 3Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å
182	V	95.8	Very high	91.8	Very high	14 Å²	14	52 Å²	52	9%	0.085	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-40.4	176.1	-177.3	0	0	0	0	111.6	Q129 R178 L179 E185 K186	Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; L179-V182 PolarHBondContact O-N 2.76Å; V182-E185 PolarHBondContact O-N 2.96Å; V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å
183	I	95.4	Very high	89.9	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-43.7	175.5	-70.5	164.9	0	0	0	110.6	F23 I25 M96 Q129 L179 V180 D181 K186 M187	F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å; V180-I183 PolarHBondContact O-N 3.07Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; I183-K186 PolarHBondContact O-N 2.64Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å
184	C	93.7	Very high	87.7	Confident	33 Å²	33	55 Å²	55	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-47.4	176.3	-71.9	0	0	0	0	111.9	V180 D181 K186 M187 S188	V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; C184-M187 PolarHBondContact O-N 2.98Å; C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å
185	E	92.5	Very high	85.1	Confident	88 Å²	88	56.8 Å²	56.8	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-54.8	-48.4	176.3	-71.6	163.2	-161.2	0	0	110.5	R178 D181 V182 M187 S188 E189	R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å; V182-E185 PolarHBondContact O-N 2.96Å; E185-M187 PolarHBondContact O-N 3.31Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å
186	K	90.6	Very high	82.7	Confident	67 Å²	67	61.9 Å²	61.9	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-37.3	179.4	-162.4	74.9	-157.8	154.2	0	113.6	V182 I183 C184 E189 S190	V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å; I183-K186 PolarHBondContact O-N 2.64Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å
187	M	87.3	Confident	80.2	Confident	51 Å²	51	65.9 Å²	65.9	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-38.6	176.2	-74.2	-168.2	-55.2	0	0	112	Y21 F23 M96 I183 C184 E185 S190 L191	Y21-M187 HydrophobicContact CD1-CE 4.39Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å; C184-M187 PolarHBondContact O-N 2.98Å; E185-M187 PolarHBondContact O-N 3.31Å; M187-S190 PolarHBondContact O-N 3.1Å; M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å
188	S	86.2	Confident	77.7	Confident	57 Å²	57	70.1 Å²	70.1	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.5	40.8	0	0	0	0	112.5	C184 E185 S190 L191 D192	C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; S188-S190 PolarHBondContact O-N 2.81Å; S188-L191 PolarHBondContact O-N 3.06Å; S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å
189	E	85.3	Confident	74.9	Confident	101 Å²	101	72.8 Å²	72.8	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-58.4	-34.8	176.3	-68.6	174.2	178.1	0	0	112.5	E185 K186 L191 T193	E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å
190	S	78.8	Confident	71.9	Confident	54 Å²	54	75.7 Å²	75.7	38%	0.378	46%	0.46	S	S	.	.	H	α-helix	trans	-74.7	-25.1	179.8	-56.3	0	0	0	0	112.8	K186 M187 S188 T193	K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å; M187-S190 PolarHBondContact O-N 3.1Å; S188-S190 PolarHBondContact O-N 2.81Å; S190-T193 PolarHBondContact O-OG1 2.99Å
191	L	73.5	Confident	69	Low	125 Å²	125	80.4 Å²	80.4	65%	0.654	50%	0.499	S	S	*	.	H	α-helix	trans	-81.3	-37.7	175.7	-68.5	171.9	0	0	0	111.4	M187 S188 E189 T193 A194	M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å; S188-L191 PolarHBondContact O-N 3.06Å; E189-L191 VanDerWaalsContact C-N 3.35Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å
192	D	69.6	Low	66.2	Low	139 Å²	139	88 Å²	88	74%	0.743	53%	0.53	S	S	*	.	H	α-helix	trans	-72.2	-26.3	-179.9	-68.3	-24.6	0	0	0	112.8	S188 A194	S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å; D192-A194 VanDerWaalsContact C-N 3.31Å
193	T	59.3	Low	63.1	Low	114 Å²	114	96.9 Å²	96.9	70%	0.699	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-11.8	174.6	43.5	0	0	0	0	113.5	E189 S190 L191 D195	E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å; S190-T193 PolarHBondContact O-OG1 2.99Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å
194	A	52.6	Low	60	Low	68 Å²	68	100 Å²	100	56%	0.562	60%	0.604	S	S	*	*	S	Bend	trans	-78.4	80.8	170.6	0	0	0	0	0	109.3	L191 D192	L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å; D192-A194 VanDerWaalsContact C-N 3.31Å
195	D	41.9	Very low	57.6	Low	126 Å²	126	104.2 Å²	104.2	67%	0.674	63%	0.631	S	S	*	*			trans	-45.6	122.3	177.1	-123.3	-25.4	0	0	0	111.2	T193 A197	T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å; D195-A197 PolarHBondContact O-N 3.5Å
196	P	48.1	Very low	54.7	Low	106 Å²	106	109 Å²	109	69%	0.688	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-64.2	-7.5	178.6	-11.5	20.5	0	0	0	113.6	V198 T199	P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; P196-T199 PolarHBondContact O-OG1 2.57Å
197	A	47.8	Very low	52.1	Low	85 Å²	85	114.2 Å²	114.2	70%	0.702	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-75.6	-1.8	-174.5	0	0	0	0	0	115.1	D195	D195-A197 PolarHBondContact O-N 3.5Å
198	V	44.6	Very low	49.7	Very low	133 Å²	133	116.5 Å²	116.5	81%	0.806	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-112.4	40.9	173.7	-161.1	0	0	0	0	111.4	P196 G200	P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; V198-G200 VanDerWaalsContact C-N 3.33Å
199	T	38.1	Very low	47.5	Very low	124 Å²	124	121.7 Å²	121.7	76%	0.761	73%	0.727	S	S	*	*			trans	-102.6	38.7	158.2	54.5	0	0	0	0	110.8	P196 A201	P196-T199 PolarHBondContact O-OG1 2.57Å; T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å
200	G	35.2	Very low	45.1	Very low	60 Å²	60	125.4 Å²	125.4	62%	0.619	75%	0.745	S	S	*	*			trans	-71.8	93	159.9	0	0	0	0	0	108.4	V198 K202	V198-G200 VanDerWaalsContact C-N 3.33Å; G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å
201	A	36.4	Very low	42.9	Very low	99 Å²	99	131.6 Å²	131.6	82%	0.818	77%	0.768	S	S	*	*			trans	-47	90.4	174.5	0	0	0	0	0	111.8	T199	T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å
202	K	36.5	Very low	41.3	Very low	200 Å²	200	131.9 Å²	131.9	87%	0.87	77%	0.774	S	S	*	*			trans	-92	102.6	164.3	-74.9	-167.8	176.1	-179	0	107.2	G200	G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å
203	Q	32.3	Very low	39.8	Very low	200 Å²	200	130.4 Å²	130.4	94%	0.935	77%	0.772	S	S	*	*			trans	-56.5	130.9	168.9	-68.9	170	-10.7	0	0	110.1
204	G	28.8	Very low	39	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	78%	0.776	S	S	*	*			trans	128.3	154.2	164	0	0	0	0	0	114.1
205	P	43.6	Very low	38.6	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	79%	0.786	S	S	*	*			cis	-115.7	143	5.1	33.3	-17.2	0	0	0	113.3	L207	P205-L207 PolarHBondContact O-N 3.04Å
206	Q	32.8	Very low	38.6	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	80%	0.795	S	S	*	*			trans	-62.4	117.2	170	-163.2	159.5	-0.2	0	0	109.1	S208	Q206-S208 PolarHBondContact O-N 3.03Å
207	L	34.9	Very low	38.5	Very low	176 Å²	176	139.4 Å²	139.4	92%	0.921	80%	0.796	S	S	*	*			trans	-66.7	98.3	174.5	-71.9	160.7	0	0	0	108.4	P205 D209	P205-L207 PolarHBondContact O-N 3.04Å; L207-D209 PolarHBondContact O-N 3.27Å
208	S	38.5	Very low	38.1	Very low	100 Å²	100	141.4 Å²	141.4	70%	0.699	80%	0.803	S	S	*	*			trans	-75	116	166.4	56.3	0	0	0	0	108.7	Q206 Q210	Q206-S208 PolarHBondContact O-N 3.03Å; S208-Q210 PolarHBondContact O-N 3.26Å
209	D	38.3	Very low	37.7	Very low	165 Å²	165	139.3 Å²	139.3	88%	0.882	80%	0.8	S	S	*	*			trans	-51.3	107.5	169	-118.7	-23	0	0	0	109.4	L207 Q211	L207-D209 PolarHBondContact O-N 3.27Å; D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å
210	Q	35.1	Very low	38.4	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	83%	0.831	S	S	*	*			trans	-72.6	101.1	172.2	-88.1	179.5	-23.4	0	0	108.2	S208 V212	S208-Q210 PolarHBondContact O-N 3.26Å; Q210-V212 PolarHBondContact O-N 2.83Å
211	Q	33.7	Very low	38.6	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-55	118.8	164.5	-77.2	174.1	-35.4	0	0	109.7	D209	D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å
212	V	39.5	Very low	38.7	Very low	130 Å²	130	150.1 Å²	150.1	79%	0.788	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-58.2	130.4	173	178.8	0	0	0	0	109.3	Q210	Q210-V212 PolarHBondContact O-N 2.83Å
213	P	38.1	Very low	38.8	Very low	108 Å²	108	147.3 Å²	147.3	70%	0.701	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-69.9	142.9	-179.3	-8.5	22.9	0	0	0	111	H215	P213-H215 PolarHBondContact O-N 2.84Å
214	P	42.5	Very low	39.2	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-68.8	126.8	177.5	26.5	-31.3	0	0	0	110.9	Q216	P214-Q216 PolarHBondContact O-N 3.18Å
215	H	43.8	Very low	39.9	Very low	167 Å²	167	148.9 Å²	148.9	77%	0.773	84%	0.843	S	S	*	*			trans	-59.4	104.9	171	-134.4	-91.2	0	0	0	108.9	P213 D217	P213-H215 PolarHBondContact O-N 2.84Å; H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å
216	Q	42.5	Very low	39.6	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	85%	0.847	S	S	*	*			trans	-83.8	96.5	159.8	-77.3	-178.4	-6.5	0	0	106.8	P214	P214-Q216 PolarHBondContact O-N 3.18Å
217	D	45	Very low	40.1	Very low	134 Å²	134	148 Å²	148	72%	0.717	85%	0.845	S	S	*	*			trans	-105.2	116.3	155.6	-85.4	-39.9	0	0	0	109	H215	H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å
218	C	40.5	Very low	40.5	Very low	126 Å²	126	145.8 Å²	145.8	85%	0.851	84%	0.839	S	S	*	*			trans	-73.4	145.6	-175.3	-162.4	0	0	0	0	110.3
219	A	36.5	Very low	40.7	Very low	90 Å²	90	149.7 Å²	149.7	74%	0.744	85%	0.85	S	S	*	*			trans	-60.2	133.8	176.1	0	0	0	0	0	112.8
220	C	52.9	Low	40.9	Very low	209 Å²	209	148.3 Å²	148.3	100%	1.412	85%	0.847	S	S	*	*			trans	-162.6	0	134.8	-87.1	0	0	0	0	107.9

Retrieved 220 of 220 residues in 69.2 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).