A0A096MSR9_PAPAN 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 (A0A2K5MFH3), UniProt , Accession A0A096MSR9, Species PAPAN (Papio anubis, Olive baboon), Gene RAB3B, Length 219 aa.

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(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	41.9	Very low	38.3	Very low	252 Å²	252	134.9 Å²	134.9	100%	1.241	84%	0.836	S	S	*	*				0	103.5	0	-77.8	-173.5	171.4	0	0	108
2	A	33.5	Very low	39	Very low	100 Å²	100	140.2 Å²	140.2	83%	0.826	84%	0.838	S	S	*	*			trans	-139	114.7	167.7	0	0	0	0	0	106.2
3	S	33.3	Very low	39.3	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	82%	0.819	S	S	*	*			trans	-69.1	129.5	-174.2	-165.8	0	0	0	0	110.1
4	V	38.4	Very low	40	Very low	137 Å²	137	134.4 Å²	134.4	83%	0.83	81%	0.813	S	S	*	*			trans	-75.6	122.2	163.4	177.5	0	0	0	0	106.4
5	T	39.4	Very low	40.9	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	79%	0.791	S	S	*	*			trans	-112.4	110.4	167.8	45.2	0	0	0	0	109.7
6	D	37.2	Very low	41.8	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	77%	0.771	S	S	*	*			trans	9.3	115.8	157.5	-67.1	-52.3	0	0	0	119.6	K8	D6-K8 PolarHBondContact O-N 2.88Å
7	G	33.3	Very low	42.9	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	77%	0.769	S	S	*	*			trans	-70.5	107.7	151.7	0	0	0	0	0	109.8	T9	G7-T9 VanDerWaalsContact C-N 3.3Å; G7-T9 PolarHBondContact O-N 3.1Å
8	K	37.2	Very low	45.1	Very low	211 Å²	211	129.1 Å²	129.1	92%	0.917	76%	0.764	S	S	*	*			trans	-66.1	93	161.1	-79.2	-177.5	175.8	178.6	0	108.3	D6 G10	D6-K8 PolarHBondContact O-N 2.88Å; K8-G10 PolarHBondContact O-N 2.66Å
9	T	45	Very low	47.2	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	74%	0.739	S	S	*	*			trans	-60.6	120.1	160.9	35.1	0	0	0	0	108	G7 V11	G7-T9 VanDerWaalsContact C-N 3.3Å; G7-T9 PolarHBondContact O-N 3.1Å; T9-V11 PolarHBondContact O-N 2.68Å; T9-V11 VanDerWaalsContact O-N 3.16Å
10	G	40.6	Very low	49.3	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	72%	0.722	S	S	*	*			trans	-54.1	120.4	177.5	0	0	0	0	0	110.3	K8 K12	K8-G10 PolarHBondContact O-N 2.66Å; G10-K12 VanDerWaalsContact C-N 3.3Å; G10-K12 PolarHBondContact O-N 2.83Å
11	V	41.5	Very low	51.4	Low	126 Å²	126	121.5 Å²	121.5	76%	0.764	70%	0.704	S	S	*	*			trans	-60.1	99.8	161.5	179	0	0	0	0	105.4	T9 D13	T9-V11 PolarHBondContact O-N 2.68Å; T9-V11 VanDerWaalsContact O-N 3.16Å; V11-D13 PolarHBondContact O-N 3.15Å; V11-D13 VanDerWaalsContact O-N 3.15Å
12	K	47.3	Very low	53.9	Low	198 Å²	198	113 Å²	113	86%	0.861	66%	0.662	S	S	*	*			trans	-61.6	113.5	157.8	-94.1	-178.5	173	178	0	104.9	G10 A14	G10-K12 VanDerWaalsContact C-N 3.3Å; G10-K12 PolarHBondContact O-N 2.83Å; K12-A14 PolarHBondContact O-N 3.07Å
13	D	42.8	Very low	56.8	Low	109 Å²	109	108.2 Å²	108.2	58%	0.583	62%	0.623	S	S	*	*			trans	-49	114.3	-179.3	-75.7	-47.4	0	0	0	109.6	V11 S15 D16	V11-D13 PolarHBondContact O-N 3.15Å; V11-D13 VanDerWaalsContact O-N 3.15Å; D13-S15 WeakPolarHBondContact CB-OG 3.39Å; D13-S15 PolarHBondContact O-N 3.4Å; D13-D16 PolarHBondContact O-N 3.38Å
14	A	48.8	Very low	59.8	Low	90 Å²	90	104.9 Å²	104.9	74%	0.744	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-59.4	-13.4	176.5	0	0	0	0	0	112	K12 D16	K12-A14 PolarHBondContact O-N 3.07Å; A14-D16 VanDerWaalsContact C-N 3.26Å; A14-D16 PolarHBondContact O-N 2.93Å
15	S	53.2	Low	62.5	Low	68 Å²	68	98.4 Å²	98.4	48%	0.476	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-61.2	-30.7	171.4	66.6	0	0	0	0	111.8	D13 Q17 N18 R70	D13-S15 WeakPolarHBondContact CB-OG 3.39Å; D13-S15 PolarHBondContact O-N 3.4Å; S15-Q17 PolarHBondContact O-N 3.23Å; S15-Q17 VanDerWaalsContact O-N 3.11Å; S15-N18 PolarHBondContact O-N 3.33Å; S15-R70 PolarHBondContact O-NH1 3.3Å; S15-R70 PolarHBondContact O-NH2 2.9Å
16	D	56.3	Low	65.2	Low	90 Å²	90	92.7 Å²	92.7	48%	0.481	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-70.7	-11.8	-171.7	-100.4	-16.5	0	0	0	116.2	D13 A14 K72	D13-D16 PolarHBondContact O-N 3.38Å; A14-D16 VanDerWaalsContact C-N 3.26Å; A14-D16 PolarHBondContact O-N 2.93Å; D16-K72 PolarHBondContact O-NZ 3.48Å
17	Q	60	Low	68	Low	157 Å²	157	85.7 Å²	85.7	73%	0.734	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-96.2	-14.5	-180	-63.8	-68	16.4	0	0	114.6	S15 F19	S15-Q17 PolarHBondContact O-N 3.23Å; S15-Q17 VanDerWaalsContact O-N 3.11Å; Q17-F19 PolarHBondContact O-N 2.92Å
18	N	81.3	Confident	70.9	Confident	127 Å²	127	82.3 Å²	82.3	68%	0.679	45%	0.448	S	S	*	.			trans	-97.5	72.3	-174.3	-163.3	62.6	0	0	0	112.5	S15 R70	S15-N18 PolarHBondContact O-N 3.33Å; N18-R70 VanDerWaalsContact C-CZ 3.41Å; N18-R70 PolarHBondContact O-NE 3Å; N18-R70 PolarHBondContact O-NH1 2.94Å; N18-R70 PolarHBondContact O-NH2 2.68Å
19	F	85.3	Confident	73.6	Confident	65 Å²	65	72.2 Å²	72.2	29%	0.285	40%	0.404	S	S	.	.			trans	-113	146.9	175	61.3	-89.8	0	0	0	111	Q17 Y21 M22 K72	Q17-F19 PolarHBondContact O-N 2.92Å; F19-Y21 WeakPolarHBondContact CD2-O 3.37Å; F19-M22 HydrophobicContact CD2-CB 4.23Å; F19-M22 HydrophobicContact CE1-CE 4.05Å; F19-M22 HydrophobicContact CE2-CB 3.74Å; F19-M22 HydrophobicContact CE2-CE 3.89Å; F19-M22 HydrophobicContact CZ-CE 3.46Å; F19-M22 VanDerWaalsContact CZ-CE 3.46Å; F19-K72 HydrophobicContact CB-CB 4.12Å; F19-K72 HydrophobicContact CD1-CB 4.4Å; F19-K72 HydrophobicContact CD1-CD 3.68Å; F19-K72 HydrophobicContact CD2-CB 4.19Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 3.97Å; F19-K72 HydrophobicContact CG-CD 4.11Å
20	D	90.1	Very high	75.9	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	37%	0.372	S	S	.	.	S	Bend	trans	-80.1	-41.3	177.6	-62.8	-95.6	0	0	0	111.3	K69 R70	D20-K69 HydrophobicContact CB-CB 4.15Å; D20-K69 HydrophobicContact CB-CD 3.8Å; D20-K69 WeakPolarHBondContact OD1-CD 3.23Å; D20-K69 IonicContact OD1-NZ 3.54Å; D20-K69 PolarHBondContact OD1-NZ 2.84Å; D20-R70 PolarHBondContact N-O 3.4Å; D20-R70 PolarHBondContact OD2-N 3.1Å
21	Y	92.8	Very high	78.2	Confident	91 Å²	91	65.4 Å²	65.4	36%	0.357	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.6	-175.9	-58.8	-69.2	0	0	0	111.7	F19 F23 K69 R70 V71 K72 M187	F19-Y21 WeakPolarHBondContact CD2-O 3.37Å; Y21-F23 HydrophobicContact CG-CE1 4.31Å; Y21-K69 HydrophobicContact CD2-CB 4.1Å; Y21-K69 HydrophobicContact CE2-CB 3.98Å; Y21-K69 HydrophobicContact CE2-CD 4.11Å; Y21-K69 HydrophobicContact CE2-CG 3.89Å; Y21-R70 PolarHBondContact N-O 3.05Å; Y21-V71 HydrophobicContact CD2-CG2 4.36Å; Y21-V71 WeakPolarHBondContact O-CA 3.42Å; Y21-K72 PolarHBondContact O-N 3.03Å; Y21-M187 HydrophobicContact CD1-CE 3.84Å; Y21-M187 HydrophobicContact CE1-CE 4.07Å; Y21-M187 HydrophobicContact CG-CE 4.18Å
22	M	93.8	Very high	80.6	Confident	72 Å²	72	62 Å²	62	36%	0.355	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.8	172.2	179.2	179	-73.3	0	0	109.5	F19 K72 Q74	F19-M22 HydrophobicContact CD2-CB 4.23Å; F19-M22 HydrophobicContact CE1-CE 4.05Å; F19-M22 HydrophobicContact CE2-CB 3.74Å; F19-M22 HydrophobicContact CE2-CE 3.89Å; F19-M22 HydrophobicContact CZ-CE 3.46Å; F19-M22 VanDerWaalsContact CZ-CE 3.46Å; M22-K72 CarbonylContact C-O 3.52Å; M22-K72 VanDerWaalsContact CA-O 3.26Å; M22-K72 WeakPolarHBondContact CA-O 3.22Å; M22-K72 HydrophobicContact CE-CD 3.95Å; M22-K72 HydrophobicContact CE-CG 4.48Å; M22-Q74 HydrophobicContact CG-CG 4.21Å; M22-Q74 VanDerWaalsContact SD-CD 3.55Å; M22-Q74 HydrophobicContact SD-CG 4.25Å
23	F	95.6	Very high	82.9	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126	179.4	-62.6	-11.9	0	0	0	110.6	Y21 L25 V71 K72 L73 Q74 M96 V180 I183 M187	Y21-F23 HydrophobicContact CG-CE1 4.31Å; F23-L25 HydrophobicContact CB-CD2 4.16Å; F23-L25 HydrophobicContact CB-CG 4.48Å; F23-V71 HydrophobicContact CD1-CG1 4.21Å; F23-V71 HydrophobicContact CD2-CG1 3.51Å; F23-V71 HydrophobicContact CE1-CG1 4.24Å; F23-V71 HydrophobicContact CE2-CG1 3.57Å; F23-V71 HydrophobicContact CG-CG1 3.83Å; F23-V71 HydrophobicContact CZ-CG1 3.92Å; F23-K72 PolarHBondContact N-O 3.17Å; F23-L73 HydrophobicContact CB-CD2 3.95Å; F23-L73 HydrophobicContact CD2-CD2 4Å; F23-L73 HydrophobicContact CG-CD2 4.35Å; F23-Q74 PolarHBondContact O-N 3.05Å; F23-M96 HydrophobicContact CB-SD 4.26Å; F23-M96 HydrophobicContact CD1-CE 3.7Å; F23-M96 HydrophobicContact CD1-SD 3.62Å; F23-M96 HydrophobicContact CE1-CE 3.89Å; F23-M96 HydrophobicContact CE1-SD 4.4Å; F23-M96 HydrophobicContact CG-SD 4.24Å; F23-V180 HydrophobicContact CD2-CG1 4.2Å; F23-V180 HydrophobicContact CE2-CG1 3.92Å; F23-I183 HydrophobicContact CD1-CG2 4.08Å; F23-I183 HydrophobicContact CD2-CB 4.22Å; F23-I183 HydrophobicContact CD2-CD1 4.16Å; F23-I183 HydrophobicContact CD2-CG2 3.88Å; F23-I183 HydrophobicContact CE1-CG2 3.9Å; F23-I183 HydrophobicContact CE2-CB 3.97Å; F23-I183 HydrophobicContact CE2-CG2 3.65Å; F23-I183 HydrophobicContact CG-CG2 4.11Å; F23-I183 HydrophobicContact CZ-CB 4.43Å; F23-I183 HydrophobicContact CZ-CG2 3.7Å; F23-M187 HydrophobicContact CE1-CE 3.34Å; F23-M187 HydrophobicContact CE1-SD 4.13Å; F23-M187 HydrophobicContact CZ-CE 3.45Å; F23-M187 VanDerWaalsContact CZ-CE 3.45Å
24	K	95.3	Very high	85.3	Confident	40 Å²	40	48.2 Å²	48.2	17%	0.174	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.1	170.7	-179.7	174.9	171.5	-171.7	0	109.3	L26 Y91 R93 M96 G97	K24-L26 HydrophobicContact CG-CD1 4.02Å; K24-Y91 WeakPolarHBondContact CE-O 3.25Å; K24-Y91 PolarHBondContact NZ-O 3.46Å; K24-R93 PolarHBondContact NZ-O 3.26Å; K24-M96 PolarHBondContact O-N 2.76Å; K24-G97 PolarHBondContact O-N 2.88Å
25	L	96.5	Very high	87.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.6	-179.4	-51.9	-175.2	0	0	0	110.3	F23 L73 Q74 I75 W76 G97 F176 L179 I183	F23-L25 HydrophobicContact CB-CD2 4.16Å; F23-L25 HydrophobicContact CB-CG 4.48Å; L25-L73 HydrophobicContact CD1-CB 4.38Å; L25-L73 HydrophobicContact CD1-CD1 4.32Å; L25-L73 HydrophobicContact CD1-CD2 4.2Å; L25-Q74 PolarHBondContact N-O 3.34Å; L25-I75 HydrophobicContact CB-CG1 4.42Å; L25-I75 HydrophobicContact CB-CG2 4.48Å; L25-I75 HydrophobicContact CD1-CG1 4.31Å; L25-I75 WeakPolarHBondContact O-CA 3.44Å; L25-W76 PolarHBondContact O-N 2.79Å; L25-G97 CarbonylContact C-O 3.6Å; L25-G97 VanDerWaalsContact CA-O 3.31Å; L25-G97 WeakPolarHBondContact CA-O 3.48Å; L25-F176 HydrophobicContact CD1-CD1 4.33Å; L25-L179 HydrophobicContact CD1-CD2 4.28Å; L25-L179 HydrophobicContact CD2-CD2 4.06Å; L25-L179 HydrophobicContact CD2-CG 4.33Å; L25-I183 HydrophobicContact CD2-CD1 3.47Å; L25-I183 VanDerWaalsContact CD2-CD1 3.47Å
26	L	95.6	Very high	89.5	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.2	175	-83.4	65.6	0	0	0	110.3	K24 I28 W76 Y92 A95 G97 F98 I99	K24-L26 HydrophobicContact CG-CD1 4.02Å; L26-I28 HydrophobicContact CB-CG2 4.24Å; L26-W76 HydrophobicContact CD1-CB 4.18Å; L26-W76 HydrophobicContact CD1-CG 4.22Å; L26-W76 HydrophobicContact CG-CB 3.99Å; L26-Y92 HydrophobicContact CD2-CD1 3.49Å; L26-Y92 VanDerWaalsContact CD2-CD1 3.49Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-A95 HydrophobicContact CD1-CB 3.59Å; L26-A95 HydrophobicContact CD2-CB 4.46Å; L26-G97 PolarHBondContact N-O 3.35Å; L26-F98 HydrophobicContact CB-CD1 3.82Å; L26-F98 HydrophobicContact CB-CE1 3.96Å; L26-F98 HydrophobicContact CD2-CD1 4.48Å; L26-F98 HydrophobicContact CD2-CE1 3.81Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.53Å; L26-F98 WeakPolarHBondContact O-CA 3.25Å; L26-I99 PolarHBondContact O-N 3.15Å
27	I	95.8	Very high	91.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.3	166.6	-45.9	179.1	0	0	0	107.5	K35 L39 I75 W76 T78 I99 M101 F176	I27-K35 HydrophobicContact CB-CB 4.38Å; I27-K35 HydrophobicContact CG2-CB 3.67Å; I27-K35 HydrophobicContact CG2-CD 4.04Å; I27-K35 HydrophobicContact CG2-CG 3.75Å; I27-L39 HydrophobicContact CD1-CB 3.85Å; I27-I75 HydrophobicContact CD1-CG2 3.97Å; I27-I75 HydrophobicContact CG1-CG2 3.98Å; I27-W76 PolarHBondContact N-O 3.27Å; I27-T78 WeakPolarHBondContact O-CG2 3.36Å; I27-T78 PolarHBondContact O-OG1 3.23Å; I27-I99 WeakPolarHBondContact CA-O 3.19Å; I27-I99 HydrophobicContact CG1-CB 4.39Å; I27-I99 HydrophobicContact CG1-CD1 4.42Å; I27-I99 HydrophobicContact CG2-CB 4.22Å; I27-I99 HydrophobicContact CG2-CG2 4.09Å; I27-M101 HydrophobicContact CG2-CE 4.24Å; I27-F176 HydrophobicContact CD1-CZ 3.95Å
28	I	94.4	Very high	93	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.3	-177.5	67.3	162.1	0	0	0	111.4	L26 K35 T78 T88 Y92 F98 I99 L100 M101 W116 I120	L26-I28 HydrophobicContact CB-CG2 4.24Å; I28-K35 VanDerWaalsContact C-CD 3.46Å; I28-T78 HydrophobicContact CG2-CG2 4.31Å; I28-T88 HydrophobicContact CG2-CG2 4.36Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.47Å; I28-Y92 HydrophobicContact CG2-CE1 4Å; I28-F98 HydrophobicContact CD1-CD1 4.3Å; I28-F98 HydrophobicContact CG2-CD1 4.43Å; I28-I99 PolarHBondContact N-O 3.38Å; I28-L100 HydrophobicContact CD1-CD1 4.03Å; I28-L100 HydrophobicContact CG1-CB 4.34Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; I28-M101 PolarHBondContact O-N 2.89Å; I28-W116 HydrophobicContact CD1-CB 4.15Å; I28-W116 HydrophobicContact CD1-CE3 4.17Å; I28-I120 HydrophobicContact CD1-CD1 3.46Å; I28-I120 VanDerWaalsContact CD1-CD1 3.46Å; I28-I120 HydrophobicContact CD1-CG1 3.67Å; I28-I120 HydrophobicContact CG1-CD1 4.46Å
29	G	94.3	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.			trans	141.3	170.2	-175.1	0	0	0	0	0	111.3	K35 G80 M101	G29-K35 PolarHBondContact O-NZ 3.37Å; G29-G80 WeakPolarHBondContact O-CA 3.25Å; G29-M101 WeakPolarHBondContact CA-O 3.41Å
30	N	92.1	Very high	94.1	Very high	27 Å²	27	27 Å²	27	14%	0.144	15%	0.146	C	C	.	.	S	Bend	trans	-58.3	167.3	-177.8	-78.7	17.5	0	0	0	112.8	V33 K35 G80 A112 W116	N30-V33 HydrophobicContact CB-CG1 4.02Å; N30-V33 VanDerWaalsContact O-CG2 3.29Å; N30-V33 WeakPolarHBondContact O-CG2 3.35Å; N30-K35 PolarHBondContact O-NZ 2.95Å; N30-G80 CarbonylContact C-O 3.57Å; N30-A112 WeakPolarHBondContact OD1-CB 3.21Å; N30-W116 PolarHBondContact OD1-NE1 3.13Å
31	S	90	Very high	94.4	Very high	37 Å²	37	25.4 Å²	25.4	26%	0.259	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	156.1	170.5	-163.8	0	0	0	0	110.4	V33 G80	S31-V33 PolarHBondContact O-N 3.42Å; S31-G80 PolarHBondContact N-O 3.08Å
32	S	91.1	Very high	94.6	Very high	55 Å²	55	22 Å²	22	39%	0.385	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	4.2	175.7	64.6	0	0	0	0	118.9	G34 K136	S32-G34 PolarHBondContact O-N 2.72Å; S32-K136 WeakPolarHBondContact O-CE 3.43Å; S32-K136 PolarHBondContact O-NZ 2.72Å
33	V	95.1	Very high	94.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-70.2	-14.5	175.2	-54.5	0	0	0	0	114.1	N30 S31 K35 M101 D103 N135	N30-V33 HydrophobicContact CB-CG1 4.02Å; N30-V33 VanDerWaalsContact O-CG2 3.29Å; N30-V33 WeakPolarHBondContact O-CG2 3.35Å; S31-V33 PolarHBondContact O-N 3.42Å; V33-K35 HydrophobicContact CG2-CD 4.28Å; V33-K35 HydrophobicContact CG2-CG 3.65Å; V33-M101 HydrophobicContact CB-CG 4.3Å; V33-M101 HydrophobicContact CG2-CB 4.03Å; V33-M101 HydrophobicContact CG2-CG 3.89Å; V33-M101 HydrophobicContact CG2-SD 4.02Å; V33-D103 HydrophobicContact CB-CB 4.22Å; V33-D103 HydrophobicContact CG1-CB 4.12Å; V33-N135 PolarHBondContact O-ND2 3.33Å
34	G	94.6	Very high	94.4	Very high	15 Å²	15	23.1 Å²	23.1	16%	0.155	13%	0.131	C	C	.	.	S	Bend	trans	102.8	18.7	173.2	0	0	0	0	0	116.5	S32 T36 S37 F38	S32-G34 PolarHBondContact O-N 2.72Å; G34-T36 PolarHBondContact O-N 3.14Å; G34-S37 PolarHBondContact O-N 3.29Å; G34-F38 VanDerWaalsContact O-CB 3.32Å; G34-F38 WeakPolarHBondContact O-CB 3.28Å; G34-F38 PolarHBondContact O-N 3.43Å
35	K	94.9	Very high	94.3	Very high	10 Å²	10	25.9 Å²	25.9	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-50.8	-51.5	179.4	-57	-172.8	-63.1	-72.7	0	113.6	I27 I28 G29 N30 V33 F38 L39 D77 T78 G80 M101	I27-K35 HydrophobicContact CB-CB 4.38Å; I27-K35 HydrophobicContact CG2-CB 3.67Å; I27-K35 HydrophobicContact CG2-CD 4.04Å; I27-K35 HydrophobicContact CG2-CG 3.75Å; I28-K35 VanDerWaalsContact C-CD 3.46Å; G29-K35 PolarHBondContact O-NZ 3.37Å; N30-K35 PolarHBondContact O-NZ 2.95Å; V33-K35 HydrophobicContact CG2-CD 4.28Å; V33-K35 HydrophobicContact CG2-CG 3.65Å; K35-F38 WeakPolarHBondContact O-CB 3.39Å; K35-F38 PolarHBondContact O-N 2.96Å; K35-L39 PolarHBondContact O-N 2.86Å; K35-D77 WeakPolarHBondContact CB-OD1 3.3Å; K35-T78 WeakPolarHBondContact CE-O 3.48Å; K35-G80 VanDerWaalsContact NZ-CA 3.26Å; K35-M101 HydrophobicContact CG-CB 4.42Å; K35-M101 HydrophobicContact CG-SD 4.12Å
36	T	93.8	Very high	94	Very high	35 Å²	35	28.9 Å²	28.9	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-49.4	179.5	-49.9	0	0	0	0	111.6	G34 F38 L39 F40 T54 D77	G34-T36 PolarHBondContact O-N 3.14Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 2.88Å; T36-L39 PolarHBondContact O-N 3.16Å; T36-F40 HydrophobicContact CG2-CD2 3.73Å; T36-F40 HydrophobicContact CG2-CE2 3.51Å; T36-F40 WeakPolarHBondContact O-CD2 3.45Å; T36-F40 PolarHBondContact O-N 3.46Å; T36-T54 PolarHBondContact OG1-OG1 3Å; T36-D77 WeakPolarHBondContact CA-OD2 3.48Å; T36-D77 VanDerWaalsContact CB-OD2 3.25Å; T36-D77 WeakPolarHBondContact CB-OD2 3.44Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.21Å; T36-D77 PolarHBondContact N-OD1 3.38Å; T36-D77 PolarHBondContact OG1-OD1 3.16Å; T36-D77 PolarHBondContact OG1-OD2 3.38Å
37	S	94.9	Very high	93.8	Very high	37 Å²	37	32 Å²	32	26%	0.259	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-35.9	176.9	-52.6	0	0	0	0	112.1	G34 F40 R41	G34-S37 PolarHBondContact O-N 3.29Å; S37-F40 PolarHBondContact O-N 3.04Å; S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.41Å; S37-R41 PolarHBondContact O-N 3.21Å
38	F	96.3	Very high	93.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-42.5	176.6	-163.6	-96.5	0	0	0	111.8	G34 K35 T36 R41 Y42 I99 M101 V133 A164 A166 V172 A175 F176	G34-F38 VanDerWaalsContact O-CB 3.32Å; G34-F38 WeakPolarHBondContact O-CB 3.28Å; G34-F38 PolarHBondContact O-N 3.43Å; K35-F38 WeakPolarHBondContact O-CB 3.39Å; K35-F38 PolarHBondContact O-N 2.96Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 2.88Å; F38-R41 PolarHBondContact O-N 2.99Å; F38-Y42 WeakPolarHBondContact O-CB 3.44Å; F38-Y42 PolarHBondContact O-N 3.1Å; F38-I99 HydrophobicContact CE1-CD1 4.24Å; F38-M101 HydrophobicContact CB-CE 3.64Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.74Å; F38-M101 HydrophobicContact CE1-CE 4.23Å; F38-M101 HydrophobicContact CE2-CE 4.25Å; F38-M101 HydrophobicContact CG-CE 3.43Å; F38-M101 VanDerWaalsContact CG-CE 3.43Å; F38-M101 HydrophobicContact CZ-CE 4.48Å; F38-V133 HydrophobicContact CE2-CG1 4.22Å; F38-V133 HydrophobicContact CZ-CG1 4.31Å; F38-A164 HydrophobicContact CE2-CB 3.66Å; F38-A164 HydrophobicContact CZ-CB 4.33Å; F38-A166 HydrophobicContact CB-CB 4.35Å; F38-A166 HydrophobicContact CD2-CB 4.29Å; F38-V172 HydrophobicContact CD1-CG1 4.29Å; F38-V172 HydrophobicContact CD2-CG1 4.13Å; F38-V172 HydrophobicContact CD2-CG2 3.99Å; F38-V172 HydrophobicContact CE1-CG1 4.09Å; F38-V172 HydrophobicContact CE2-CB 4.01Å; F38-V172 HydrophobicContact CE2-CG1 3.93Å; F38-V172 HydrophobicContact CE2-CG2 3.68Å; F38-V172 HydrophobicContact CG-CG1 4.3Å; F38-V172 HydrophobicContact CZ-CB 4.17Å; F38-V172 HydrophobicContact CZ-CG1 3.92Å; F38-V172 HydrophobicContact CZ-CG2 4.34Å; F38-A175 HydrophobicContact CZ-CB 4.1Å; F38-F176 AromaticContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CZ 4.13Å; F38-F176 AromaticContact CE1-CD2 3.91Å; F38-F176 HydrophobicContact CE1-CD2 3.91Å; F38-F176 AromaticContact CE1-CE2 3.37Å; F38-F176 HydrophobicContact CE1-CE2 3.37Å; F38-F176 HydrophobicContact CE1-CZ 4.18Å; F38-F176 HydrophobicContact CZ-CE2 4.49Å
39	L	95.7	Very high	92.6	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-48.6	173	176.6	56.5	0	0	0	111.6	I27 K35 T36 R41 Y42 A43 K60 I75 D77	I27-L39 HydrophobicContact CD1-CB 3.85Å; K35-L39 PolarHBondContact O-N 2.86Å; T36-L39 PolarHBondContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.41Å; L39-Y42 PolarHBondContact O-N 2.98Å; L39-A43 HydrophobicContact CD1-CB 4.43Å; L39-A43 VanDerWaalsContact O-CB 3.27Å; L39-A43 WeakPolarHBondContact O-CB 3.28Å; L39-A43 PolarHBondContact O-N 3.26Å; L39-K60 HydrophobicContact CD1-CB 4.25Å; L39-K60 HydrophobicContact CD2-CB 4.23Å; L39-K60 HydrophobicContact CD2-CD 4.44Å; L39-K60 HydrophobicContact CD2-CG 4.41Å; L39-K60 HydrophobicContact CG-CD 4.24Å; L39-I75 HydrophobicContact CD1-CB 3.82Å; L39-I75 HydrophobicContact CD1-CD1 3.92Å; L39-I75 HydrophobicContact CD1-CG1 4.49Å; L39-I75 HydrophobicContact CD1-CG2 3.62Å; L39-D77 HydrophobicContact CD2-CB 3.69Å
40	F	94	Very high	91.8	Very high	67 Å²	67	44.9 Å²	44.9	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-39.7	179	-80.8	-65.4	0	0	0	112.2	T36 S37 Y42 A43 D44 D45 T46	T36-F40 HydrophobicContact CG2-CD2 3.73Å; T36-F40 HydrophobicContact CG2-CE2 3.51Å; T36-F40 WeakPolarHBondContact O-CD2 3.45Å; T36-F40 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.04Å; F40-Y42 VanDerWaalsContact C-N 3.35Å; F40-Y42 PolarHBondContact O-N 3Å; F40-A43 PolarHBondContact O-N 3.36Å; F40-D44 WeakPolarHBondContact CD1-OD2 3.47Å; F40-D44 WeakPolarHBondContact O-CA 3.29Å; F40-D44 PolarHBondContact O-N 3.02Å; F40-D45 PolarHBondContact O-N 3.01Å; F40-T46 CarbonylContact C-O 3.57Å
41	R	96.1	Very high	90.8	Very high	39 Å²	39	50 Å²	50	15%	0.147	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-45.9	174.1	177.5	56.6	74.1	-173	6.3	111.1	S37 F38 L39 D45 T46 A166 K167 N169 V172	S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.41Å; S37-R41 PolarHBondContact O-N 3.21Å; F38-R41 PolarHBondContact O-N 2.99Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.41Å; R41-D45 WeakPolarHBondContact CD-OD1 3.27Å; R41-D45 IonicContact CZ-OD1 2.68Å; R41-D45 PolarHBondContact NH1-O 3.2Å; R41-D45 IonicContact NH1-OD1 2.98Å; R41-D45 PolarHBondContact NH1-OD1 2.82Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.2Å; R41-D45 PolarHBondContact O-N 3.36Å; R41-D45 VanDerWaalsContact O-N 3.14Å; R41-T46 WeakPolarHBondContact CA-O 3.5Å; R41-T46 PolarHBondContact N-O 3.5Å; R41-A166 HydrophobicContact CB-CB 4.49Å; R41-A166 PolarHBondContact NE-O 3.13Å; R41-K167 PolarHBondContact NH2-O 3.35Å; R41-N169 WeakPolarHBondContact CD-OD1 3.47Å; R41-N169 HydrophobicContact CG-CB 4.34Å; R41-N169 WeakPolarHBondContact CG-OD1 3.43Å; R41-V172 HydrophobicContact CB-CG1 4.28Å; R41-V172 HydrophobicContact CG-CB 4.24Å; R41-V172 HydrophobicContact CG-CG1 3.98Å; R41-V172 HydrophobicContact CG-CG2 3.95Å
42	Y	96.3	Very high	90.1	Very high	21 Å²	21	53.7 Å²	53.7	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-44.8	178.8	177.2	-110.6	0	0	0	113.4	F38 L39 F40 K62 V64 L73 I75 F176	F38-Y42 WeakPolarHBondContact O-CB 3.44Å; F38-Y42 PolarHBondContact O-N 3.1Å; L39-Y42 PolarHBondContact O-N 2.98Å; F40-Y42 VanDerWaalsContact C-N 3.35Å; F40-Y42 PolarHBondContact O-N 3Å; Y42-K62 HydrophobicContact CD1-CD 3.86Å; Y42-K62 HydrophobicContact CE1-CB 4.47Å; Y42-K62 HydrophobicContact CE1-CD 3.26Å; Y42-K62 HydrophobicContact CE1-CG 4.46Å; Y42-K62 HydrophobicContact CE2-CD 4.44Å; Y42-K62 PolarHBondContact O-NZ 3.04Å; Y42-V64 WeakPolarHBondContact OH-CG1 3.3Å; Y42-L73 HydrophobicContact CE1-CD1 4.26Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.42Å; Y42-I75 HydrophobicContact CD1-CD1 3.81Å; Y42-I75 HydrophobicContact CE1-CD1 3.7Å; Y42-F176 VanDerWaalsContact CB-CE2 3.43Å; Y42-F176 AromaticContact CD1-CD1 3.99Å; Y42-F176 HydrophobicContact CD1-CD1 3.99Å; Y42-F176 AromaticContact CD1-CD2 3.76Å; Y42-F176 HydrophobicContact CD1-CD2 3.76Å; Y42-F176 HydrophobicContact CD1-CE1 4.02Å; Y42-F176 AromaticContact CD1-CE2 3.79Å; Y42-F176 HydrophobicContact CD1-CE2 3.79Å; Y42-F176 AromaticContact CD1-CG 3.86Å; Y42-F176 HydrophobicContact CD1-CG 3.86Å; Y42-F176 AromaticContact CD1-CZ 3.92Å; Y42-F176 HydrophobicContact CD1-CZ 3.92Å; Y42-F176 HydrophobicContact CD2-CB 3.95Å; Y42-F176 AromaticContact CD2-CD2 3.42Å; Y42-F176 HydrophobicContact CD2-CD2 3.42Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.42Å; Y42-F176 HydrophobicContact CD2-CE2 4.06Å; Y42-F176 AromaticContact CD2-CG 3.8Å; Y42-F176 HydrophobicContact CD2-CG 3.8Å; Y42-F176 HydrophobicContact CE1-CB 4.19Å; Y42-F176 AromaticContact CE1-CD1 3.86Å; Y42-F176 HydrophobicContact CE1-CD1 3.86Å; Y42-F176 HydrophobicContact CE1-CD2 4.2Å; Y42-F176 HydrophobicContact CE1-CE1 4.26Å; Y42-F176 AromaticContact CE1-CG 3.83Å; Y42-F176 HydrophobicContact CE1-CG 3.83Å; Y42-F176 HydrophobicContact CE2-CB 3.5Å; Y42-F176 VanDerWaalsContact CE2-CB 3.5Å; Y42-F176 AromaticContact CE2-CD2 3.9Å; Y42-F176 HydrophobicContact CE2-CD2 3.9Å; Y42-F176 AromaticContact CE2-CG 3.77Å; Y42-F176 HydrophobicContact CE2-CG 3.77Å; Y42-F176 HydrophobicContact CG-CB 4.46Å; Y42-F176 HydrophobicContact CG-CD1 4.4Å; Y42-F176 AromaticContact CG-CD2 3.33Å; Y42-F176 HydrophobicContact CG-CD2 3.33Å; Y42-F176 AromaticContact CG-CE2 3.48Å; Y42-F176 HydrophobicContact CG-CE2 3.48Å; Y42-F176 VanDerWaalsContact CG-CE2 3.48Å; Y42-F176 AromaticContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CZ 4.1Å; Y42-F176 AromaticContact CZ-CG 3.78Å
43	A	93.2	Very high	89.4	Confident	18 Å²	18	54.1 Å²	54.1	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-78	-46.2	-171.5	0	0	0	0	0	112.2	L39 F40 K60 K62	L39-A43 HydrophobicContact CD1-CB 4.43Å; L39-A43 VanDerWaalsContact O-CB 3.27Å; L39-A43 WeakPolarHBondContact O-CB 3.28Å; L39-A43 PolarHBondContact O-N 3.26Å; F40-A43 PolarHBondContact O-N 3.36Å; A43-K60 HydrophobicContact CB-CD 3.52Å; A43-K62 PolarHBondContact O-NZ 2.94Å
44	D	92.3	Very high	88.4	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-119.4	-3.1	-165.9	-56.7	-9.3	0	0	0	112.9	F40 T46 K60	F40-D44 WeakPolarHBondContact CD1-OD2 3.47Å; F40-D44 WeakPolarHBondContact O-CA 3.29Å; F40-D44 PolarHBondContact O-N 3.02Å; D44-T46 HydrophobicContact CB-CG2 4.26Å; D44-T46 PolarHBondContact O-N 3.35Å; D44-K60 IonicContact OD1-NZ 2.94Å; D44-K60 PolarHBondContact OD1-NZ 3.06Å; D44-K60 VanDerWaalsContact OD2-CE 3.26Å; D44-K60 WeakPolarHBondContact OD2-CE 3.11Å; D44-K60 IonicContact OD2-NZ 3.37Å; D44-K60 PolarHBondContact OD2-NZ 3.24Å
45	D	92.9	Very high	87.4	Confident	98 Å²	98	61.1 Å²	61.1	52%	0.524	35%	0.352	S	S	.	.	S	Bend	trans	53.9	38.5	-172.3	-161.4	21.7	0	0	0	113.6	F40 R41	F40-D45 PolarHBondContact O-N 3.01Å; R41-D45 WeakPolarHBondContact CD-OD1 3.27Å; R41-D45 IonicContact CZ-OD1 2.68Å; R41-D45 PolarHBondContact NH1-O 3.2Å; R41-D45 IonicContact NH1-OD1 2.98Å; R41-D45 PolarHBondContact NH1-OD1 2.82Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.2Å; R41-D45 PolarHBondContact O-N 3.36Å; R41-D45 VanDerWaalsContact O-N 3.14Å
46	T	91.2	Very high	86.3	Confident	64 Å²	64	62 Å²	62	39%	0.393	36%	0.364	S	S	.	.			trans	-119.5	150.4	179.9	55.8	0	0	0	0	112.1	F40 R41 D44	F40-T46 CarbonylContact C-O 3.57Å; R41-T46 WeakPolarHBondContact CA-O 3.5Å; R41-T46 PolarHBondContact N-O 3.5Å; D44-T46 HydrophobicContact CB-CG2 4.26Å; D44-T46 PolarHBondContact O-N 3.35Å
47	F	91.4	Very high	85.7	Confident	65 Å²	65	62.3 Å²	62.3	29%	0.285	36%	0.364	S	S	.	.			trans	-141	131.4	172.1	176.5	-94.2	0	0	0	109.9	P49 A166 K167	F47-P49 HydrophobicContact CD1-CG 4.42Å; F47-P49 HydrophobicContact CE1-CB 4.27Å; F47-P49 HydrophobicContact CE1-CG 4.02Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.44Å; F47-K167 HydrophobicContact CD1-CB 4.4Å; F47-K167 HydrophobicContact CD1-CG 4.17Å; F47-K167 HydrophobicContact CD2-CB 4.26Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CD 4.46Å; F47-K167 HydrophobicContact CE1-CG 3.77Å; F47-K167 HydrophobicContact CE2-CB 3.87Å; F47-K167 HydrophobicContact CZ-CB 3.75Å; F47-K167 HydrophobicContact CZ-CG 3.97Å
48	T	86.5	Confident	85.2	Confident	91 Å²	91	64.1 Å²	64.1	56%	0.558	37%	0.371	S	S	*	.			trans	-116.9	122.7	175.6	-57.3	0	0	0	0	108.6	A50	T48-A50 HydrophobicContact CG2-CB 3.9Å; T48-A50 PolarHBondContact O-N 2.94Å
49	P	77.4	Confident	84.7	Confident	115 Å²	115	69.2 Å²	69.2	75%	0.747	39%	0.393	S	S	*	.			trans	-67.3	-22.2	178.8	-19.1	30.1	0	0	0	113.8	F47 F51	F47-P49 HydrophobicContact CD1-CG 4.42Å; F47-P49 HydrophobicContact CE1-CB 4.27Å; F47-P49 HydrophobicContact CE1-CG 4.02Å; P49-F51 PolarHBondContact O-N 3.37Å
50	A	77.3	Confident	84.5	Confident	66 Å²	66	71.3 Å²	71.3	55%	0.545	40%	0.402	S	S	.	.	S	Bend	trans	-64.3	119.8	-178.6	0	0	0	0	0	110.6	T48 V52	T48-A50 HydrophobicContact CG2-CB 3.9Å; T48-A50 PolarHBondContact O-N 2.94Å; A50-V52 PolarHBondContact O-N 2.97Å; A50-V52 VanDerWaalsContact O-N 3.16Å
51	F	71.1	Confident	84.5	Confident	136 Å²	136	71.4 Å²	71.4	60%	0.596	41%	0.408	S	S	*	.			trans	-74.2	105.8	171.5	-179	-104.3	0	0	0	109.5	P49 S53	P49-F51 PolarHBondContact O-N 3.37Å; F51-S53 WeakPolarHBondContact CE1-OG 3.25Å
52	V	76.1	Confident	84.4	Confident	114 Å²	114	72.4 Å²	72.4	69%	0.691	41%	0.413	S	S	*	.			trans	-112	117.9	169.9	-176.7	0	0	0	0	107.5	A50 T54	A50-V52 PolarHBondContact O-N 2.97Å; A50-V52 VanDerWaalsContact O-N 3.16Å; V52-T54 PolarHBondContact O-N 2.91Å
53	S	76.9	Confident	84.3	Confident	63 Å²	63	73.7 Å²	73.7	44%	0.441	42%	0.424	S	S	.	.			trans	-62.2	123.8	176.7	-65.4	0	0	0	0	110.5	F51 V55	F51-S53 WeakPolarHBondContact CE1-OG 3.25Å; S53-V55 PolarHBondContact O-N 2.95Å
54	T	73.8	Confident	84.3	Confident	39 Å²	39	73.5 Å²	73.5	24%	0.239	42%	0.421	C	S	.	.			trans	-67.1	119.2	174.1	-45.5	0	0	0	0	109.7	T36 V52 A79	T36-T54 PolarHBondContact OG1-OG1 3Å; V52-T54 PolarHBondContact O-N 2.91Å; T54-A79 WeakPolarHBondContact O-CB 3.27Å
55	V	73.1	Confident	84.3	Confident	125 Å²	125	77.2 Å²	77.2	76%	0.758	43%	0.43	S	S	*	.			trans	-93.4	112.6	174.1	-178.6	0	0	0	0	108	S53	S53-V55 PolarHBondContact O-N 2.95Å
56	G	72.6	Confident	84.1	Confident	28 Å²	28	74.9 Å²	74.9	29%	0.289	41%	0.413	S	S	.	.	S	Bend	trans	81.4	-139.2	179.4	0	0	0	0	0	113.5	A79	G56-A79 WeakPolarHBondContact O-CB 3.22Å; G56-A79 PolarHBondContact O-N 2.97Å
57	I	80.3	Confident	83.8	Confident	42 Å²	42	78.2 Å²	78.2	22%	0.215	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.5	-175.8	-65.2	172.1	0	0	0	107.7	W76 D77 I87 Y91	I57-W76 HydrophobicContact CG2-CE3 3.67Å; I57-W76 HydrophobicContact CG2-CZ3 4.33Å; I57-D77 WeakPolarHBondContact CA-O 3.33Å; I57-D77 WeakPolarHBondContact CG2-O 3.28Å; I57-I87 HydrophobicContact CD1-CG2 4.16Å; I57-Y91 HydrophobicContact CD1-CD1 4.32Å; I57-Y91 HydrophobicContact CD1-CD2 3.25Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.2Å; I57-Y91 HydrophobicContact CD1-CG 3.85Å; I57-Y91 HydrophobicContact CG2-CE1 4.45Å
58	D	84.1	Confident	83.5	Confident	75 Å²	75	84.4 Å²	84.4	40%	0.401	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.2	173.9	-163.6	7.8	0	0	0	109.5	W76 D77	D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; D58-D77 PolarHBondContact N-O 2.92Å; D58-D77 PolarHBondContact O-N 3.32Å
59	F	86.4	Confident	83.7	Confident	107 Å²	107	84 Å²	84	47%	0.469	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.7	175.4	81.7	-82.7	0	0	0	112.1	V61 I75 W76	F59-V61 HydrophobicContact CD2-CG2 4.22Å; F59-V61 HydrophobicContact CE2-CG2 4.04Å; F59-I75 CarbonylContact C-O 3.56Å; F59-I75 VanDerWaalsContact CA-O 3.26Å; F59-I75 WeakPolarHBondContact CA-O 3.49Å; F59-W76 HydrophobicContact CB-CD2 4.02Å; F59-W76 HydrophobicContact CB-CE3 3.9Å; F59-W76 HydrophobicContact CB-CG 4.46Å; F59-W76 HydrophobicContact CB-CZ3 4.24Å
60	K	91.8	Very high	84.4	Confident	47 Å²	47	79.7 Å²	79.7	20%	0.204	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.1	170.4	-85.9	-172.3	173.6	-93.1	0	111.2	L39 A43 D44 I75	L39-K60 HydrophobicContact CD1-CB 4.25Å; L39-K60 HydrophobicContact CD2-CB 4.23Å; L39-K60 HydrophobicContact CD2-CD 4.44Å; L39-K60 HydrophobicContact CD2-CG 4.41Å; L39-K60 HydrophobicContact CG-CD 4.24Å; A43-K60 HydrophobicContact CB-CD 3.52Å; D44-K60 IonicContact OD1-NZ 2.94Å; D44-K60 PolarHBondContact OD1-NZ 3.06Å; D44-K60 VanDerWaalsContact OD2-CE 3.26Å; D44-K60 WeakPolarHBondContact OD2-CE 3.11Å; D44-K60 IonicContact OD2-NZ 3.37Å; D44-K60 PolarHBondContact OD2-NZ 3.24Å; K60-I75 PolarHBondContact N-O 3.29Å; K60-I75 PolarHBondContact O-N 3.35Å
61	V	93.8	Very high	85.3	Confident	69 Å²	69	76.6 Å²	76.6	42%	0.418	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.2	173.1	179.9	0	0	0	0	108.7	F59 K72 L73 Q74	F59-V61 HydrophobicContact CD2-CG2 4.22Å; F59-V61 HydrophobicContact CE2-CG2 4.04Å; V61-K72 HydrophobicContact CG1-CD 4.18Å; V61-K72 VanDerWaalsContact CG1-CE 3.4Å; V61-K72 HydrophobicContact CG1-CG 3.71Å; V61-L73 CarbonylContact C-O 3.45Å; V61-L73 VanDerWaalsContact CA-O 3.26Å; V61-L73 WeakPolarHBondContact CA-O 3.21Å; V61-Q74 HydrophobicContact CG2-CG 4.43Å
62	K	93.8	Very high	86.4	Confident	60 Å²	60	71.5 Å²	71.5	26%	0.261	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.6	173.1	-163.7	-171.8	-176	92	0	109.4	Y42 A43 V64 L73	Y42-K62 HydrophobicContact CD1-CD 3.86Å; Y42-K62 HydrophobicContact CE1-CB 4.47Å; Y42-K62 HydrophobicContact CE1-CD 3.26Å; Y42-K62 HydrophobicContact CE1-CG 4.46Å; Y42-K62 HydrophobicContact CE2-CD 4.44Å; Y42-K62 PolarHBondContact O-NZ 3.04Å; A43-K62 PolarHBondContact O-NZ 2.94Å; K62-V64 HydrophobicContact CD-CG1 4.41Å; K62-L73 PolarHBondContact N-O 3.36Å; K62-L73 WeakPolarHBondContact O-CA 3.5Å; K62-L73 WeakPolarHBondContact O-CB 3.38Å; K62-L73 PolarHBondContact O-N 2.89Å
63	T	94.4	Very high	87.4	Confident	48 Å²	48	66.1 Å²	66.1	29%	0.294	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.9	174.5	-59.2	0	0	0	0	109.3	R70 V71	T63-R70 HydrophobicContact CG2-CG 3.42Å; T63-R70 VanDerWaalsContact CG2-CG 3.42Å; T63-V71 WeakPolarHBondContact CA-O 3.41Å
64	V	94.3	Very high	88.3	Confident	14 Å²	14	65.7 Å²	65.7	9%	0.085	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	158.3	176.1	-58.3	0	0	0	0	110.3	Y42 K62 R66 V71 L73 V180	Y42-V64 WeakPolarHBondContact OH-CG1 3.3Å; K62-V64 HydrophobicContact CD-CG1 4.41Å; V64-R66 HydrophobicContact CG2-CG 4.48Å; V64-V71 HydrophobicContact CG2-CB 3.93Å; V64-V71 PolarHBondContact N-O 2.54Å; V64-V71 PolarHBondContact O-N 2.82Å; V64-L73 HydrophobicContact CG1-CD1 3.91Å; V64-L73 HydrophobicContact CG2-CD1 4.01Å; V64-L73 HydrophobicContact CG2-CD2 4.28Å; V64-L73 HydrophobicContact CG2-CG 4.09Å; V64-V180 HydrophobicContact CG2-CG1 4.47Å
65	Y	91.3	Very high	89.4	Confident	156 Å²	156	63.8 Å²	63.8	61%	0.612	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	125.4	174.2	-73.2	-91.6	0	0	0	109.9	K69 R70	Y65-K69 WeakPolarHBondContact CA-O 3.41Å; Y65-R70 HydrophobicContact CD1-CB 4.25Å; Y65-R70 HydrophobicContact CD1-CG 4.1Å; Y65-R70 HydrophobicContact CE1-CB 3.94Å; Y65-R70 HydrophobicContact CE1-CG 3.62Å; Y65-R70 HydrophobicContact CE2-CG 4.23Å; Y65-R70 WeakPolarHBondContact OH-CD 3.12Å
66	R	88.1	Confident	90.3	Very high	48 Å²	48	60.2 Å²	60.2	18%	0.181	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131	178.3	-72.5	-64.1	178.1	-97.1	1.6	110.3	V64 E68 K69 V71 E177 V180 D181	V64-R66 HydrophobicContact CG2-CG 4.48Å; R66-E68 PolarHBondContact O-N 2.9Å; R66-K69 PolarHBondContact N-O 2.89Å; R66-K69 WeakPolarHBondContact O-CA 3.48Å; R66-K69 VanDerWaalsContact O-CB 3.27Å; R66-K69 WeakPolarHBondContact O-CB 3.42Å; R66-K69 PolarHBondContact O-N 2.83Å; R66-V71 HydrophobicContact CB-CG2 4.35Å; R66-E177 IonicContact CZ-OE1 2.95Å; R66-E177 IonicContact NH2-OE1 2.62Å; R66-E177 PolarHBondContact NH2-OE1 3.16Å; R66-E177 IonicContact NH2-OE2 3.54Å; R66-V180 HydrophobicContact CG-CG1 3.84Å; R66-D181 WeakPolarHBondContact CD-OD1 3.35Å; R66-D181 IonicContact NE-OD1 2.78Å
67	H	84.8	Confident	91.2	Very high	135 Å²	135	59 Å²	59	63%	0.625	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.7	-177.8	-53.6	117.1	0	0	0	113	K69	H67-K69 PolarHBondContact O-N 2.99Å
68	E	86.3	Confident	91.4	Very high	194 Å²	194	57 Å²	57	91%	0.907	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	8.2	-175	-51.3	-172.3	134.7	0	0	115.5	R66	R66-E68 PolarHBondContact O-N 2.9Å
69	K	89.9	Confident	91	Very high	84 Å²	84	53.6 Å²	53.6	37%	0.365	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.9	177.2	-62	-70.2	-176.6	-173.3	0	110.8	D20 Y21 Y65 R66 H67	D20-K69 HydrophobicContact CB-CB 4.15Å; D20-K69 HydrophobicContact CB-CD 3.8Å; D20-K69 WeakPolarHBondContact OD1-CD 3.23Å; D20-K69 IonicContact OD1-NZ 3.54Å; D20-K69 PolarHBondContact OD1-NZ 2.84Å; Y21-K69 HydrophobicContact CD2-CB 4.1Å; Y21-K69 HydrophobicContact CE2-CB 3.98Å; Y21-K69 HydrophobicContact CE2-CD 4.11Å; Y21-K69 HydrophobicContact CE2-CG 3.89Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; R66-K69 PolarHBondContact N-O 2.89Å; R66-K69 WeakPolarHBondContact O-CA 3.48Å; R66-K69 VanDerWaalsContact O-CB 3.27Å; R66-K69 WeakPolarHBondContact O-CB 3.42Å; R66-K69 PolarHBondContact O-N 2.83Å; H67-K69 PolarHBondContact O-N 2.99Å
70	R	93.1	Very high	89.9	Confident	23 Å²	23	48.9 Å²	48.9	9%	0.087	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109	177.9	-154.8	-176.6	95.3	-177.9	7	109.6	S15 N18 D20 Y21 T63 Y65	S15-R70 PolarHBondContact O-NH1 3.3Å; S15-R70 PolarHBondContact O-NH2 2.9Å; N18-R70 VanDerWaalsContact C-CZ 3.41Å; N18-R70 PolarHBondContact O-NE 3Å; N18-R70 PolarHBondContact O-NH1 2.94Å; N18-R70 PolarHBondContact O-NH2 2.68Å; D20-R70 PolarHBondContact N-O 3.4Å; D20-R70 PolarHBondContact OD2-N 3.1Å; Y21-R70 PolarHBondContact N-O 3.05Å; T63-R70 HydrophobicContact CG2-CG 3.42Å; T63-R70 VanDerWaalsContact CG2-CG 3.42Å; Y65-R70 HydrophobicContact CD1-CB 4.25Å; Y65-R70 HydrophobicContact CD1-CG 4.1Å; Y65-R70 HydrophobicContact CE1-CB 3.94Å; Y65-R70 HydrophobicContact CE1-CG 3.62Å; Y65-R70 HydrophobicContact CE2-CG 4.23Å; Y65-R70 WeakPolarHBondContact OH-CD 3.12Å
71	V	95.1	Very high	88.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.1	-175.1	-172.7	0	0	0	0	109.6	Y21 F23 T63 V64 R66 L73	Y21-V71 HydrophobicContact CD2-CG2 4.36Å; Y21-V71 WeakPolarHBondContact O-CA 3.42Å; F23-V71 HydrophobicContact CD1-CG1 4.21Å; F23-V71 HydrophobicContact CD2-CG1 3.51Å; F23-V71 HydrophobicContact CE1-CG1 4.24Å; F23-V71 HydrophobicContact CE2-CG1 3.57Å; F23-V71 HydrophobicContact CG-CG1 3.83Å; F23-V71 HydrophobicContact CZ-CG1 3.92Å; T63-V71 WeakPolarHBondContact CA-O 3.41Å; V64-V71 HydrophobicContact CG2-CB 3.93Å; V64-V71 PolarHBondContact N-O 2.54Å; V64-V71 PolarHBondContact O-N 2.82Å; R66-V71 HydrophobicContact CB-CG2 4.35Å; V71-L73 HydrophobicContact CG1-CD2 3.73Å
72	K	95.7	Very high	86.8	Confident	30 Å²	30	51.4 Å²	51.4	13%	0.13	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.5	176.6	-168.1	166.3	-172.9	168.7	0	109.6	D16 F19 Y21 M22 F23 V61	D16-K72 PolarHBondContact O-NZ 3.48Å; F19-K72 HydrophobicContact CB-CB 4.12Å; F19-K72 HydrophobicContact CD1-CB 4.4Å; F19-K72 HydrophobicContact CD1-CD 3.68Å; F19-K72 HydrophobicContact CD2-CB 4.19Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 3.97Å; F19-K72 HydrophobicContact CG-CD 4.11Å; Y21-K72 PolarHBondContact O-N 3.03Å; M22-K72 CarbonylContact C-O 3.52Å; M22-K72 VanDerWaalsContact CA-O 3.26Å; M22-K72 WeakPolarHBondContact CA-O 3.22Å; M22-K72 HydrophobicContact CE-CD 3.95Å; M22-K72 HydrophobicContact CE-CG 4.48Å; F23-K72 PolarHBondContact N-O 3.17Å; V61-K72 HydrophobicContact CG1-CD 4.18Å; V61-K72 VanDerWaalsContact CG1-CE 3.4Å; V61-K72 HydrophobicContact CG1-CG 3.71Å
73	L	96.4	Very high	85.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.4	177.9	-49.1	-178.8	0	0	0	109.2	F23 L25 Y42 V61 K62 V64 V71 I75 V180	F23-L73 HydrophobicContact CB-CD2 3.95Å; F23-L73 HydrophobicContact CD2-CD2 4Å; F23-L73 HydrophobicContact CG-CD2 4.35Å; L25-L73 HydrophobicContact CD1-CB 4.38Å; L25-L73 HydrophobicContact CD1-CD1 4.32Å; L25-L73 HydrophobicContact CD1-CD2 4.2Å; Y42-L73 HydrophobicContact CE1-CD1 4.26Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.42Å; V61-L73 CarbonylContact C-O 3.45Å; V61-L73 VanDerWaalsContact CA-O 3.26Å; V61-L73 WeakPolarHBondContact CA-O 3.21Å; K62-L73 PolarHBondContact N-O 3.36Å; K62-L73 WeakPolarHBondContact O-CA 3.5Å; K62-L73 WeakPolarHBondContact O-CB 3.38Å; K62-L73 PolarHBondContact O-N 2.89Å; V64-L73 HydrophobicContact CG1-CD1 3.91Å; V64-L73 HydrophobicContact CG2-CD1 4.01Å; V64-L73 HydrophobicContact CG2-CD2 4.28Å; V64-L73 HydrophobicContact CG2-CG 4.09Å; V71-L73 HydrophobicContact CG1-CD2 3.73Å; L73-I75 HydrophobicContact CB-CD1 4.23Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; L73-V180 HydrophobicContact CD1-CG2 3.88Å; L73-V180 HydrophobicContact CD2-CG2 3.65Å; L73-V180 HydrophobicContact CG-CG2 4.43Å
74	Q	95.8	Very high	83.6	Confident	54 Å²	54	57.7 Å²	57.7	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	102.4	166	-67.3	-175.6	-34	0	0	107.8	M22 F23 L25 V61	M22-Q74 HydrophobicContact CG-CG 4.21Å; M22-Q74 VanDerWaalsContact SD-CD 3.55Å; M22-Q74 HydrophobicContact SD-CG 4.25Å; F23-Q74 PolarHBondContact O-N 3.05Å; L25-Q74 PolarHBondContact N-O 3.34Å; V61-Q74 HydrophobicContact CG2-CG 4.43Å
75	I	95.8	Very high	82.2	Confident	0 Å²	0	60 Å²	60	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.3	-172.8	-47.7	166.1	0	0	0	108.5	L25 I27 L39 Y42 F59 K60 L73 F176	L25-I75 HydrophobicContact CB-CG1 4.42Å; L25-I75 HydrophobicContact CB-CG2 4.48Å; L25-I75 HydrophobicContact CD1-CG1 4.31Å; L25-I75 WeakPolarHBondContact O-CA 3.44Å; I27-I75 HydrophobicContact CD1-CG2 3.97Å; I27-I75 HydrophobicContact CG1-CG2 3.98Å; L39-I75 HydrophobicContact CD1-CB 3.82Å; L39-I75 HydrophobicContact CD1-CD1 3.92Å; L39-I75 HydrophobicContact CD1-CG1 4.49Å; L39-I75 HydrophobicContact CD1-CG2 3.62Å; Y42-I75 HydrophobicContact CD1-CD1 3.81Å; Y42-I75 HydrophobicContact CE1-CD1 3.7Å; F59-I75 CarbonylContact C-O 3.56Å; F59-I75 VanDerWaalsContact CA-O 3.26Å; F59-I75 WeakPolarHBondContact CA-O 3.49Å; K60-I75 PolarHBondContact N-O 3.29Å; K60-I75 PolarHBondContact O-N 3.35Å; L73-I75 HydrophobicContact CB-CD1 4.23Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; I75-F176 HydrophobicContact CD1-CD1 4.29Å; I75-F176 HydrophobicContact CD1-CE1 3.77Å; I75-F176 HydrophobicContact CD1-CZ 4.42Å; I75-F176 HydrophobicContact CG1-CE1 4.32Å; I75-F176 HydrophobicContact CG2-CE1 3.95Å; I75-F176 HydrophobicContact CG2-CZ 4.34Å
76	W	93.5	Very high	80.8	Confident	50 Å²	50	58.4 Å²	58.4	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.3	-178.2	-63	80.2	0	0	0	109.3	L25 L26 I27 I57 D58 F59 Y91	L25-W76 PolarHBondContact O-N 2.79Å; L26-W76 HydrophobicContact CD1-CB 4.18Å; L26-W76 HydrophobicContact CD1-CG 4.22Å; L26-W76 HydrophobicContact CG-CB 3.99Å; I27-W76 PolarHBondContact N-O 3.27Å; I57-W76 HydrophobicContact CG2-CE3 3.67Å; I57-W76 HydrophobicContact CG2-CZ3 4.33Å; D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; F59-W76 HydrophobicContact CB-CD2 4.02Å; F59-W76 HydrophobicContact CB-CE3 3.9Å; F59-W76 HydrophobicContact CB-CG 4.46Å; F59-W76 HydrophobicContact CB-CZ3 4.24Å; W76-Y91 HydrophobicContact CD2-CD1 4.29Å; W76-Y91 AromaticContact CE3-CD1 3.7Å; W76-Y91 HydrophobicContact CE3-CD1 3.7Å; W76-Y91 AromaticContact CE3-CE1 3.89Å; W76-Y91 HydrophobicContact CE3-CE1 3.89Å; W76-Y91 HydrophobicContact CH2-CD1 4.24Å; W76-Y91 HydrophobicContact CH2-CE1 4.09Å; W76-Y91 AromaticContact CZ3-CD1 3.68Å; W76-Y91 HydrophobicContact CZ3-CD1 3.68Å; W76-Y91 AromaticContact CZ3-CE1 3.46Å; W76-Y91 HydrophobicContact CZ3-CE1 3.46Å; W76-Y91 VanDerWaalsContact CZ3-CE1 3.46Å
77	D	90.8	Very high	79.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.7	171.4	-179.9	43.5	0	0	0	109.6	K35 T36 L39 I57 D58	K35-D77 WeakPolarHBondContact CB-OD1 3.3Å; T36-D77 WeakPolarHBondContact CA-OD2 3.48Å; T36-D77 VanDerWaalsContact CB-OD2 3.25Å; T36-D77 WeakPolarHBondContact CB-OD2 3.44Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.21Å; T36-D77 PolarHBondContact N-OD1 3.38Å; T36-D77 PolarHBondContact OG1-OD1 3.16Å; T36-D77 PolarHBondContact OG1-OD2 3.38Å; L39-D77 HydrophobicContact CD2-CB 3.69Å; I57-D77 WeakPolarHBondContact CA-O 3.33Å; I57-D77 WeakPolarHBondContact CG2-O 3.28Å; D58-D77 PolarHBondContact N-O 2.92Å; D58-D77 PolarHBondContact O-N 3.32Å
78	T	84.3	Confident	79.1	Confident	1 Å²	1	54 Å²	54	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.1	-173.4	64.6	0	0	0	0	111.6	I27 I28 K35 G80 T88	I27-T78 WeakPolarHBondContact O-CG2 3.36Å; I27-T78 PolarHBondContact O-OG1 3.23Å; I28-T78 HydrophobicContact CG2-CG2 4.31Å; K35-T78 WeakPolarHBondContact CE-O 3.48Å; T78-G80 PolarHBondContact O-N 3.43Å; T78-T88 HydrophobicContact CG2-CG2 3.95Å
79	A	75.8	Confident	78.8	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	21%	0.214	C	C	.	.			trans	-60.6	127.9	165.5	0	0	0	0	0	109.7	T54 G56 Q81 Y84	T54-A79 WeakPolarHBondContact O-CB 3.27Å; G56-A79 WeakPolarHBondContact O-CB 3.22Å; G56-A79 PolarHBondContact O-N 2.97Å; A79-Q81 VanDerWaalsContact C-N 3.28Å; A79-Q81 PolarHBondContact O-N 3.39Å; A79-Y84 HydrophobicContact CB-CD2 3.83Å; A79-Y84 HydrophobicContact CB-CG 4.35Å
80	G	63.4	Low	78.5	Confident	8 Å²	8	45.8 Å²	45.8	8%	0.082	23%	0.226	C	C	.	.			trans	-84.3	0.8	178.2	0	0	0	0	0	114.5	G29 N30 S31 K35 T78	G29-G80 WeakPolarHBondContact O-CA 3.25Å; N30-G80 CarbonylContact C-O 3.57Å; S31-G80 PolarHBondContact N-O 3.08Å; K35-G80 VanDerWaalsContact NZ-CA 3.26Å; T78-G80 PolarHBondContact O-N 3.43Å
81	Q	63.5	Low	78.1	Confident	52 Å²	52	48.3 Å²	48.3	24%	0.243	24%	0.236	C	C	.	.			trans	-71.9	130.8	178.6	-108.8	-172.8	13.5	0	0	110.3	A79 R83 Y84	A79-Q81 VanDerWaalsContact C-N 3.28Å; A79-Q81 PolarHBondContact O-N 3.39Å; Q81-R83 PolarHBondContact O-N 3.01Å; Q81-R83 VanDerWaalsContact O-N 3.14Å; Q81-Y84 HydrophobicContact CB-CD2 3.62Å; Q81-Y84 HydrophobicContact CB-CE2 4.03Å; Q81-Y84 PolarHBondContact O-N 3.37Å
82	E	57.9	Low	77.9	Confident	118 Å²	118	48.3 Å²	48.3	55%	0.551	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-51.9	-33.5	177.2	62.3	-64.7	147.3	0	0	113	Y84 R85	E82-Y84 PolarHBondContact O-N 3.28Å; E82-Y84 VanDerWaalsContact O-N 3.16Å; E82-R85 WeakPolarHBondContact O-CB 3.38Å; E82-R85 PolarHBondContact O-N 3.23Å
83	R	58.7	Low	77.6	Confident	172 Å²	172	56.9 Å²	56.9	65%	0.649	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.8	174.4	-61.7	-172.5	-62.5	169.2	2.8	114	Q81	Q81-R83 PolarHBondContact O-N 3.01Å; Q81-R83 VanDerWaalsContact O-N 3.14Å
84	Y	61.5	Low	77.3	Confident	67 Å²	67	58.8 Å²	58.8	26%	0.263	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-106.3	1.7	-179.8	-56.4	-60.8	0	0	0	113.5	A79 Q81 E82 T86 I87 T88	A79-Y84 HydrophobicContact CB-CD2 3.83Å; A79-Y84 HydrophobicContact CB-CG 4.35Å; Q81-Y84 HydrophobicContact CB-CD2 3.62Å; Q81-Y84 HydrophobicContact CB-CE2 4.03Å; Q81-Y84 PolarHBondContact O-N 3.37Å; E82-Y84 PolarHBondContact O-N 3.28Å; E82-Y84 VanDerWaalsContact O-N 3.16Å; Y84-T86 VanDerWaalsContact C-N 3.26Å; Y84-T86 PolarHBondContact O-N 3.34Å; Y84-I87 HydrophobicContact CD1-CD1 4.09Å; Y84-I87 WeakPolarHBondContact O-CB 3.32Å; Y84-I87 PolarHBondContact O-N 3.49Å; Y84-T88 PolarHBondContact O-N 3Å; Y84-T88 PolarHBondContact O-OG1 2.91Å
85	R	64.9	Low	77.2	Confident	64 Å²	64	56.2 Å²	56.2	24%	0.242	28%	0.275	C	S	.	.	H	α-helix	trans	-52.6	-40.5	-179.9	-90	177.3	163.7	179	-5	113.2	E82 I87 T88 T89 W116	E82-R85 WeakPolarHBondContact O-CB 3.38Å; E82-R85 PolarHBondContact O-N 3.23Å; R85-I87 VanDerWaalsContact C-N 3.32Å; R85-I87 PolarHBondContact O-N 2.89Å; R85-T88 PolarHBondContact O-N 2.88Å; R85-T89 PolarHBondContact O-N 2.98Å; R85-W116 HydrophobicContact CG-CH2 3.55Å; R85-W116 HydrophobicContact CG-CZ2 4.24Å; R85-W116 HydrophobicContact CG-CZ3 4.09Å
86	T	60.9	Low	77.2	Confident	121 Å²	121	57.6 Å²	57.6	74%	0.742	28%	0.282	S	S	*	.	H	α-helix	trans	-67.2	-30.1	177.7	-49.4	0	0	0	0	113.1	Y84 T89	Y84-T86 VanDerWaalsContact C-N 3.26Å; Y84-T86 PolarHBondContact O-N 3.34Å; T86-T89 PolarHBondContact O-OG1 3.41Å; T86-T89 VanDerWaalsContact O-OG1 3.09Å
87	I	65	Low	77.4	Confident	90 Å²	90	55.2 Å²	55.2	46%	0.462	27%	0.273	S	S	.	.	H	α-helix	trans	-75.7	-39.2	176.9	-68.3	167.9	0	0	0	109.6	I57 Y84 R85 T89 A90 Y91	I57-I87 HydrophobicContact CD1-CG2 4.16Å; Y84-I87 HydrophobicContact CD1-CD1 4.09Å; Y84-I87 WeakPolarHBondContact O-CB 3.32Å; Y84-I87 PolarHBondContact O-N 3.49Å; R85-I87 VanDerWaalsContact C-N 3.32Å; R85-I87 PolarHBondContact O-N 2.89Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 2.99Å; I87-A90 WeakPolarHBondContact O-CB 3.39Å; I87-A90 PolarHBondContact O-N 2.89Å; I87-Y91 HydrophobicContact CG2-CE2 4.16Å; I87-Y91 VanDerWaalsContact O-CD2 3.29Å; I87-Y91 WeakPolarHBondContact O-CD2 3.48Å
88	T	73.6	Confident	77.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-40.2	-179.5	-60.6	0	0	0	0	112.8	I28 T78 Y84 R85 A90 Y91 Y92	I28-T88 HydrophobicContact CG2-CG2 4.36Å; T78-T88 HydrophobicContact CG2-CG2 3.95Å; Y84-T88 PolarHBondContact O-N 3Å; Y84-T88 PolarHBondContact O-OG1 2.91Å; R85-T88 PolarHBondContact O-N 2.88Å; T88-A90 VanDerWaalsContact C-N 3.26Å; T88-A90 PolarHBondContact O-N 2.99Å; T88-Y91 PolarHBondContact O-N 3.48Å; T88-Y91 VanDerWaalsContact O-N 3.07Å; T88-Y92 HydrophobicContact CG2-CE1 3.62Å; T88-Y92 VanDerWaalsContact O-CD1 3.28Å; T88-Y92 WeakPolarHBondContact O-CD1 3.33Å; T88-Y92 WeakPolarHBondContact O-CE1 3.48Å
89	T	79.7	Confident	78.3	Confident	31 Å²	31	55.2 Å²	55.2	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-26.2	-179.4	55.7	0	0	0	0	113.5	R85 T86 I87 Y91 Y92 Y123	R85-T89 PolarHBondContact O-N 2.98Å; T86-T89 PolarHBondContact O-OG1 3.41Å; T86-T89 VanDerWaalsContact O-OG1 3.09Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 2.99Å; T89-Y91 PolarHBondContact O-N 3.01Å; T89-Y91 VanDerWaalsContact O-N 3.15Å; T89-Y92 HydrophobicContact CG2-CE2 4.42Å; T89-Y92 WeakPolarHBondContact O-CB 3.42Å; T89-Y92 PolarHBondContact O-N 3.25Å; T89-Y92 VanDerWaalsContact O-N 3.1Å; T89-Y123 HydrophobicContact CG2-CD2 3.79Å; T89-Y123 HydrophobicContact CG2-CE2 4.07Å; T89-Y123 HydrophobicContact CG2-CG 4.48Å
90	A	82.4	Confident	79.4	Confident	74 Å²	74	55 Å²	55	61%	0.612	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.3	174.4	0	0	0	0	0	112.6	I87 T88	I87-A90 WeakPolarHBondContact O-CB 3.39Å; I87-A90 PolarHBondContact O-N 2.89Å; T88-A90 VanDerWaalsContact C-N 3.26Å; T88-A90 PolarHBondContact O-N 2.99Å
91	Y	86.4	Confident	81	Confident	77 Å²	77	54.7 Å²	54.7	30%	0.302	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9	-179.5	-67.1	-99.5	0	0	0	113.1	K24 I57 W76 I87 T88 T89 R93	K24-Y91 WeakPolarHBondContact CE-O 3.25Å; K24-Y91 PolarHBondContact NZ-O 3.46Å; I57-Y91 HydrophobicContact CD1-CD1 4.32Å; I57-Y91 HydrophobicContact CD1-CD2 3.25Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.2Å; I57-Y91 HydrophobicContact CD1-CG 3.85Å; I57-Y91 HydrophobicContact CG2-CE1 4.45Å; W76-Y91 HydrophobicContact CD2-CD1 4.29Å; W76-Y91 AromaticContact CE3-CD1 3.7Å; W76-Y91 HydrophobicContact CE3-CD1 3.7Å; W76-Y91 AromaticContact CE3-CE1 3.89Å; W76-Y91 HydrophobicContact CE3-CE1 3.89Å; W76-Y91 HydrophobicContact CH2-CD1 4.24Å; W76-Y91 HydrophobicContact CH2-CE1 4.09Å; W76-Y91 AromaticContact CZ3-CD1 3.68Å; W76-Y91 HydrophobicContact CZ3-CD1 3.68Å; W76-Y91 AromaticContact CZ3-CE1 3.46Å; W76-Y91 HydrophobicContact CZ3-CE1 3.46Å; W76-Y91 VanDerWaalsContact CZ3-CE1 3.46Å; I87-Y91 HydrophobicContact CG2-CE2 4.16Å; I87-Y91 VanDerWaalsContact O-CD2 3.29Å; I87-Y91 WeakPolarHBondContact O-CD2 3.48Å; T88-Y91 PolarHBondContact O-N 3.48Å; T88-Y91 VanDerWaalsContact O-N 3.07Å; T89-Y91 PolarHBondContact O-N 3.01Å; T89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-R93 VanDerWaalsContact C-N 3.25Å; Y91-R93 PolarHBondContact O-N 3.4Å
92	Y	90.4	Very high	82.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.9	-178.2	-72.8	18.1	0	0	0	111.6	L26 I28 T88 T89 G94 A95 F98 Q119 I120	L26-Y92 HydrophobicContact CD2-CD1 3.49Å; L26-Y92 VanDerWaalsContact CD2-CD1 3.49Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.47Å; I28-Y92 HydrophobicContact CG2-CE1 4Å; T88-Y92 HydrophobicContact CG2-CE1 3.62Å; T88-Y92 VanDerWaalsContact O-CD1 3.28Å; T88-Y92 WeakPolarHBondContact O-CD1 3.33Å; T88-Y92 WeakPolarHBondContact O-CE1 3.48Å; T89-Y92 HydrophobicContact CG2-CE2 4.42Å; T89-Y92 WeakPolarHBondContact O-CB 3.42Å; T89-Y92 PolarHBondContact O-N 3.25Å; T89-Y92 VanDerWaalsContact O-N 3.1Å; Y92-G94 PolarHBondContact O-N 2.92Å; Y92-A95 VanDerWaalsContact O-CB 3.23Å; Y92-A95 WeakPolarHBondContact O-CB 3.36Å; Y92-A95 PolarHBondContact O-N 3.43Å; Y92-F98 AromaticContact CD1-CE1 3.84Å; Y92-F98 HydrophobicContact CD1-CE1 3.84Å; Y92-F98 HydrophobicContact CD1-CZ 4.37Å; Y92-F98 HydrophobicContact CD2-CE1 4.18Å; Y92-F98 HydrophobicContact CD2-CZ 4.3Å; Y92-F98 HydrophobicContact CE1-CE1 4.03Å; Y92-F98 HydrophobicContact CE2-CE1 4.38Å; Y92-F98 AromaticContact CG-CE1 3.92Å; Y92-F98 HydrophobicContact CG-CE1 3.92Å; Y92-F98 HydrophobicContact CG-CZ 4.05Å; Y92-Q119 HydrophobicContact CE2-CB 3.93Å; Y92-I120 HydrophobicContact CE2-CG1 4.14Å
93	R	88.4	Confident	84.6	Confident	211 Å²	211	46.9 Å²	46.9	80%	0.796	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	124	177.3	-173	173.2	177.3	79.4	2	110.7	K24 Y91 A95	K24-R93 PolarHBondContact NZ-O 3.26Å; Y91-R93 VanDerWaalsContact C-N 3.25Å; Y91-R93 PolarHBondContact O-N 3.4Å; R93-A95 PolarHBondContact O-N 2.91Å
94	G	89.8	Confident	86.5	Confident	39 Å²	39	38.7 Å²	38.7	40%	0.402	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	7.4	-178.9	0	0	0	0	0	114.5	Y92 M96	Y92-G94 PolarHBondContact O-N 2.92Å; G94-M96 PolarHBondContact O-N 3.15Å
95	A	94.4	Very high	88.2	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.			trans	-67.4	127.1	167.8	0	0	0	0	0	109.2	L26 Y92 R93 F98	L26-A95 HydrophobicContact CD1-CB 3.59Å; L26-A95 HydrophobicContact CD2-CB 4.46Å; Y92-A95 VanDerWaalsContact O-CB 3.23Å; Y92-A95 WeakPolarHBondContact O-CB 3.36Å; Y92-A95 PolarHBondContact O-N 3.43Å; R93-A95 PolarHBondContact O-N 2.91Å; A95-F98 HydrophobicContact CB-CE1 4.14Å; A95-F98 HydrophobicContact CB-CE2 3.64Å; A95-F98 HydrophobicContact CB-CZ 3.41Å; A95-F98 VanDerWaalsContact CB-CZ 3.41Å
96	M	95.8	Very high	89.8	Confident	30 Å²	30	36.4 Å²	36.4	15%	0.148	20%	0.199	C	C	.	.			trans	-92.8	-25.4	178.4	-59.8	176	77.2	0	0	111.3	F23 K24 G94 A128 Q129 I183 M187	F23-M96 HydrophobicContact CB-SD 4.26Å; F23-M96 HydrophobicContact CD1-CE 3.7Å; F23-M96 HydrophobicContact CD1-SD 3.62Å; F23-M96 HydrophobicContact CE1-CE 3.89Å; F23-M96 HydrophobicContact CE1-SD 4.4Å; F23-M96 HydrophobicContact CG-SD 4.24Å; K24-M96 PolarHBondContact O-N 2.76Å; G94-M96 PolarHBondContact O-N 3.15Å; M96-A128 WeakPolarHBondContact O-CA 3.34Å; M96-Q129 PolarHBondContact O-N 3.34Å; M96-I183 HydrophobicContact CB-CD1 4.11Å; M96-I183 HydrophobicContact CB-CG1 4.48Å; M96-I183 HydrophobicContact CB-CG2 4.21Å; M96-I183 HydrophobicContact CE-CG2 3.63Å; M96-M187 HydrophobicContact CE-CG 4.34Å; M96-M187 HydrophobicContact CE-SD 3.71Å
97	G	96.9	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.7	-178.2	0	0	0	0	0	113.5	K24 L25 L26 Q129	K24-G97 PolarHBondContact O-N 2.88Å; L25-G97 CarbonylContact C-O 3.6Å; L25-G97 VanDerWaalsContact CA-O 3.31Å; L25-G97 WeakPolarHBondContact CA-O 3.48Å; L26-G97 PolarHBondContact N-O 3.35Å; G97-Q129 CarbonylContact C-O 3.32Å; G97-Q129 VanDerWaalsContact CA-O 3.23Å; G97-Q129 WeakPolarHBondContact CA-O 3.48Å
98	F	97.4	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.2	175.9	-65.9	-96.5	0	0	0	110.5	L26 I28 Y92 A95 I120 A128 Q129 V130 I131	L26-F98 HydrophobicContact CB-CD1 3.82Å; L26-F98 HydrophobicContact CB-CE1 3.96Å; L26-F98 HydrophobicContact CD2-CD1 4.48Å; L26-F98 HydrophobicContact CD2-CE1 3.81Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.53Å; L26-F98 WeakPolarHBondContact O-CA 3.25Å; I28-F98 HydrophobicContact CD1-CD1 4.3Å; I28-F98 HydrophobicContact CG2-CD1 4.43Å; Y92-F98 AromaticContact CD1-CE1 3.84Å; Y92-F98 HydrophobicContact CD1-CE1 3.84Å; Y92-F98 HydrophobicContact CD1-CZ 4.37Å; Y92-F98 HydrophobicContact CD2-CE1 4.18Å; Y92-F98 HydrophobicContact CD2-CZ 4.3Å; Y92-F98 HydrophobicContact CE1-CE1 4.03Å; Y92-F98 HydrophobicContact CE2-CE1 4.38Å; Y92-F98 AromaticContact CG-CE1 3.92Å; Y92-F98 HydrophobicContact CG-CE1 3.92Å; Y92-F98 HydrophobicContact CG-CZ 4.05Å; A95-F98 HydrophobicContact CB-CE1 4.14Å; A95-F98 HydrophobicContact CB-CE2 3.64Å; A95-F98 HydrophobicContact CB-CZ 3.41Å; A95-F98 VanDerWaalsContact CB-CZ 3.41Å; F98-I120 HydrophobicContact CB-CD1 4.03Å; F98-I120 HydrophobicContact CD1-CD1 4.1Å; F98-I120 HydrophobicContact CD1-CG1 3.92Å; F98-I120 HydrophobicContact CD2-CG1 4.49Å; F98-I120 HydrophobicContact CD2-CG2 3.9Å; F98-I120 HydrophobicContact CE1-CG1 4.09Å; F98-I120 HydrophobicContact CE2-CG2 3.88Å; F98-I120 HydrophobicContact CG-CD1 4Å; F98-I120 HydrophobicContact CG-CG1 4.12Å; F98-I120 HydrophobicContact CG-CG2 4.35Å; F98-I120 HydrophobicContact CZ-CG1 4.46Å; F98-I120 HydrophobicContact CZ-CG2 4.27Å; F98-A128 HydrophobicContact CD2-CB 3.96Å; F98-A128 HydrophobicContact CE2-CB 3.65Å; F98-Q129 PolarHBondContact N-O 2.87Å; F98-V130 HydrophobicContact CB-CG1 4.2Å; F98-V130 HydrophobicContact CB-CG2 4.22Å; F98-V130 HydrophobicContact CD2-CG2 4.43Å; F98-V130 WeakPolarHBondContact O-CA 3.26Å; F98-I131 PolarHBondContact O-N 3.49Å
99	I	98.1	Very high	94.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109	159.1	-67.8	164.8	0	0	0	106.2	L26 I27 I28 F38 M101 V133 F176 L179	L26-I99 PolarHBondContact O-N 3.15Å; I27-I99 WeakPolarHBondContact CA-O 3.19Å; I27-I99 HydrophobicContact CG1-CB 4.39Å; I27-I99 HydrophobicContact CG1-CD1 4.42Å; I27-I99 HydrophobicContact CG2-CB 4.22Å; I27-I99 HydrophobicContact CG2-CG2 4.09Å; I28-I99 PolarHBondContact N-O 3.38Å; F38-I99 HydrophobicContact CE1-CD1 4.24Å; I99-M101 HydrophobicContact CG2-CE 4.2Å; I99-V133 HydrophobicContact CG2-CB 4.27Å; I99-V133 HydrophobicContact CG2-CG2 3.75Å; I99-F176 HydrophobicContact CD1-CD1 3.69Å; I99-F176 HydrophobicContact CD1-CD2 4.16Å; I99-F176 HydrophobicContact CD1-CE1 3.35Å; I99-F176 HydrophobicContact CD1-CE2 3.88Å; I99-F176 HydrophobicContact CD1-CG 4.08Å; I99-F176 HydrophobicContact CD1-CZ 3.46Å; I99-F176 VanDerWaalsContact CD1-CZ 3.46Å; I99-L179 HydrophobicContact CD1-CD2 4.39Å; I99-L179 HydrophobicContact CG1-CD2 3.87Å
100	L	97.5	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.7	174.5	174.4	51.4	0	0	0	108.4	I28 V113 W116 A117 I120 V130 I131 L132 V133 F159	I28-L100 HydrophobicContact CD1-CD1 4.03Å; I28-L100 HydrophobicContact CG1-CB 4.34Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; L100-V113 HydrophobicContact CD2-CG1 3.73Å; L100-V113 HydrophobicContact CG-CG1 4.25Å; L100-W116 HydrophobicContact CD1-CB 3.43Å; L100-W116 VanDerWaalsContact CD1-CB 3.43Å; L100-W116 HydrophobicContact CD1-CG 3.86Å; L100-W116 HydrophobicContact CD2-CB 4.15Å; L100-W116 HydrophobicContact CG-CB 4.47Å; L100-A117 HydrophobicContact CD2-CB 4.31Å; L100-I120 HydrophobicContact CD2-CD1 4.46Å; L100-V130 HydrophobicContact CB-CG1 4.16Å; L100-I131 PolarHBondContact N-O 3.32Å; L100-L132 HydrophobicContact CB-CD1 4.4Å; L100-L132 HydrophobicContact CD2-CD1 4.35Å; L100-L132 HydrophobicContact CG-CD1 3.97Å; L100-L132 CarbonylContact O-C 3.59Å; L100-L132 WeakPolarHBondContact O-CA 3.33Å; L100-V133 PolarHBondContact O-N 3.22Å; L100-F159 HydrophobicContact CD2-CE2 4.24Å
101	M	97.9	Very high	95.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	-169.9	-168.6	177.3	-70.9	0	0	112.4	I27 I28 G29 V33 K35 F38 I99 V133 N135	I27-M101 HydrophobicContact CG2-CE 4.24Å; I28-M101 PolarHBondContact O-N 2.89Å; G29-M101 WeakPolarHBondContact CA-O 3.41Å; V33-M101 HydrophobicContact CB-CG 4.3Å; V33-M101 HydrophobicContact CG2-CB 4.03Å; V33-M101 HydrophobicContact CG2-CG 3.89Å; V33-M101 HydrophobicContact CG2-SD 4.02Å; K35-M101 HydrophobicContact CG-CB 4.42Å; K35-M101 HydrophobicContact CG-SD 4.12Å; F38-M101 HydrophobicContact CB-CE 3.64Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.74Å; F38-M101 HydrophobicContact CE1-CE 4.23Å; F38-M101 HydrophobicContact CE2-CE 4.25Å; F38-M101 HydrophobicContact CG-CE 3.43Å; F38-M101 VanDerWaalsContact CG-CE 3.43Å; F38-M101 HydrophobicContact CZ-CE 4.48Å; I99-M101 HydrophobicContact CG2-CE 4.2Å; M101-V133 WeakPolarHBondContact CA-O 3.48Å; M101-V133 HydrophobicContact CE-CG1 4.24Å; M101-V133 HydrophobicContact CG-CB 4.48Å; M101-V133 HydrophobicContact CG-CG1 4.49Å; M101-N135 HydrophobicContact CG-CB 3.83Å; M101-N135 HydrophobicContact SD-CB 3.77Å
102	Y	98.4	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	169.7	163.1	73.6	-87.5	0	0	0	110.1	I104 F110 V113 L132 V133 G134 N135 V145 F161	Y102-I104 HydrophobicContact CE2-CG2 4.01Å; Y102-F110 HydrophobicContact CD1-CD2 4.07Å; Y102-F110 HydrophobicContact CD2-CB 3.94Å; Y102-F110 AromaticContact CD2-CD2 3.85Å; Y102-F110 HydrophobicContact CD2-CD2 3.85Å; Y102-F110 HydrophobicContact CD2-CG 4.4Å; Y102-F110 AromaticContact CE1-CD2 3.95Å; Y102-F110 HydrophobicContact CE1-CD2 3.95Å; Y102-F110 HydrophobicContact CE1-CE2 4.3Å; Y102-F110 HydrophobicContact CE2-CB 4.47Å; Y102-F110 AromaticContact CE2-CD2 3.75Å; Y102-F110 HydrophobicContact CE2-CD2 3.75Å; Y102-F110 HydrophobicContact CG-CB 4.29Å; Y102-F110 HydrophobicContact CG-CD2 4.02Å; Y102-F110 AromaticContact CZ-CD2 3.8Å; Y102-V113 HydrophobicContact CD1-CG2 4.07Å; Y102-V113 HydrophobicContact CG-CG2 4.31Å; Y102-L132 HydrophobicContact CD1-CD1 3.94Å; Y102-L132 HydrophobicContact CD1-CG 4.34Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.24Å; Y102-L132 HydrophobicContact CE1-CG 4.12Å; Y102-V133 PolarHBondContact N-O 3.31Å; Y102-G134 VanDerWaalsContact CZ-CA 3.46Å; Y102-N135 PolarHBondContact O-N 3.47Å; Y102-V145 HydrophobicContact CE2-CB 4.1Å; Y102-V145 HydrophobicContact CE2-CG1 3.74Å; Y102-V145 HydrophobicContact CE2-CG2 4.4Å; Y102-F161 HydrophobicContact CE1-CE2 4.08Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.23Å
103	D	98.2	Very high	96.4	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.4	176.9	177.8	-1.3	0	0	0	109.7	V33 T105 N106 S109 K136	V33-D103 HydrophobicContact CB-CB 4.22Å; V33-D103 HydrophobicContact CG1-CB 4.12Å; D103-T105 PolarHBondContact O-N 3.32Å; D103-T105 PolarHBondContact OD1-N 3.03Å; D103-T105 PolarHBondContact OD1-OG1 3.23Å; D103-T105 VanDerWaalsContact OD1-OG1 3.05Å; D103-T105 PolarHBondContact OD2-OG1 2.83Å; D103-N106 HydrophobicContact CB-CB 4.04Å; D103-N106 PolarHBondContact O-N 3.49Å; D103-S109 PolarHBondContact N-OG 2.84Å; D103-S109 PolarHBondContact O-OG 2.93Å; D103-K136 WeakPolarHBondContact OD1-CD 3.43Å; D103-K136 WeakPolarHBondContact OD2-CD 3.33Å; D103-K136 WeakPolarHBondContact OD2-CE 2.85Å; D103-K136 IonicContact OD2-NZ 3.59Å; D103-K136 PolarHBondContact OD2-NZ 3.18Å
104	I	98.7	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.3	-177.4	66	149.5	0	0	0	113.5	Y102 N135 K136 C137 R143 V144 V145	Y102-I104 HydrophobicContact CE2-CG2 4.01Å; I104-N135 PolarHBondContact N-O 3.03Å; I104-N135 VanDerWaalsContact N-O 3.1Å; I104-K136 WeakPolarHBondContact CD1-O 3.39Å; I104-K136 WeakPolarHBondContact CG1-O 3.48Å; I104-C137 HydrophobicContact CD1-CB 4.47Å; I104-R143 HydrophobicContact CD1-CB 4.2Å; I104-R143 HydrophobicContact CD1-CG 4.22Å; I104-R143 VanDerWaalsContact CD1-CZ 3.46Å; I104-V144 PolarHBondContact O-N 3.33Å; I104-V145 PolarHBondContact O-N 2.79Å
105	T	98.4	Very high	96.9	Very high	32 Å²	32	32 Å²	32	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.8	177	74.8	0	0	0	0	112.5	D103 M139 E142 V144	D103-T105 PolarHBondContact O-N 3.32Å; D103-T105 PolarHBondContact OD1-N 3.03Å; D103-T105 PolarHBondContact OD1-OG1 3.23Å; D103-T105 VanDerWaalsContact OD1-OG1 3.05Å; D103-T105 PolarHBondContact OD2-OG1 2.83Å; T105-M139 HydrophobicContact CG2-CB 3.69Å; T105-M139 HydrophobicContact CG2-CE 4.5Å; T105-M139 HydrophobicContact CG2-SD 4.33Å; T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.76Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.5Å
106	N	97.8	Very high	96.8	Very high	52 Å²	52	32 Å²	32	28%	0.278	16%	0.162	S	C	.	.			trans	-132	102.3	-177.9	-174.9	-35.6	0	0	0	112.1	D103 E108 S109 F110	D103-N106 HydrophobicContact CB-CB 4.04Å; D103-N106 PolarHBondContact O-N 3.49Å; N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 PolarHBondContact O-N 3.33Å; N106-E108 WeakPolarHBondContact OD1-CA 3.29Å; N106-E108 WeakPolarHBondContact OD1-CB 3.43Å; N106-E108 PolarHBondContact OD1-N 3.11Å; N106-S109 WeakPolarHBondContact O-CB 3.33Å; N106-S109 PolarHBondContact O-N 2.84Å; N106-S109 PolarHBondContact O-OG 2.89Å; N106-S109 PolarHBondContact OD1-N 2.65Å; N106-F110 PolarHBondContact O-N 2.95Å
107	E	97.4	Very high	96.7	Very high	93 Å²	93	30.7 Å²	30.7	44%	0.435	16%	0.155	S	C	.	.	H	α-helix	trans	-65	-32	-179.8	-175.3	164.5	-144.7	0	0	113.7	S109 F110 N111 V144 K149	E107-S109 VanDerWaalsContact C-N 3.3Å; E107-S109 PolarHBondContact O-N 2.91Å; E107-F110 WeakPolarHBondContact O-CB 3.39Å; E107-F110 PolarHBondContact O-N 2.86Å; E107-F110 VanDerWaalsContact O-N 3.16Å; E107-N111 VanDerWaalsContact O-CG 3.28Å; E107-N111 PolarHBondContact O-N 3.39Å; E107-N111 PolarHBondContact O-ND2 3.03Å; E107-V144 HydrophobicContact CB-CG2 4.08Å; E107-K149 IonicContact OE1-NZ 2.68Å; E107-K149 PolarHBondContact OE1-NZ 2.99Å
108	E	96.3	Very high	96.5	Very high	140 Å²	140	34.6 Å²	34.6	65%	0.654	18%	0.179	S	C	*	.	H	α-helix	trans	-62.5	-40.4	176	-173.2	-173	172.9	0	0	111.1	N106 F110 N111 A112	N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 PolarHBondContact O-N 3.33Å; N106-E108 WeakPolarHBondContact OD1-CA 3.29Å; N106-E108 WeakPolarHBondContact OD1-CB 3.43Å; N106-E108 PolarHBondContact OD1-N 3.11Å; E108-F110 VanDerWaalsContact C-N 3.26Å; E108-F110 PolarHBondContact O-N 2.87Å; E108-N111 PolarHBondContact O-N 3.33Å; E108-A112 PolarHBondContact O-N 2.82Å; E108-A112 VanDerWaalsContact O-N 3.08Å
109	S	97.1	Very high	96.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-35	176.1	81.5	0	0	0	0	112.4	D103 N106 E107	D103-S109 PolarHBondContact N-OG 2.84Å; D103-S109 PolarHBondContact O-OG 2.93Å; N106-S109 WeakPolarHBondContact O-CB 3.33Å; N106-S109 PolarHBondContact O-N 2.84Å; N106-S109 PolarHBondContact O-OG 2.89Å; N106-S109 PolarHBondContact OD1-N 2.65Å; E107-S109 VanDerWaalsContact C-N 3.3Å; E107-S109 PolarHBondContact O-N 2.91Å
110	F	98.3	Very high	95.8	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-71.1	-44.7	175.4	177.3	-96.7	0	0	0	111.9	Y102 N106 E107 E108 A112 V113 V145 K149 L153	Y102-F110 HydrophobicContact CD1-CD2 4.07Å; Y102-F110 HydrophobicContact CD2-CB 3.94Å; Y102-F110 AromaticContact CD2-CD2 3.85Å; Y102-F110 HydrophobicContact CD2-CD2 3.85Å; Y102-F110 HydrophobicContact CD2-CG 4.4Å; Y102-F110 AromaticContact CE1-CD2 3.95Å; Y102-F110 HydrophobicContact CE1-CD2 3.95Å; Y102-F110 HydrophobicContact CE1-CE2 4.3Å; Y102-F110 HydrophobicContact CE2-CB 4.47Å; Y102-F110 AromaticContact CE2-CD2 3.75Å; Y102-F110 HydrophobicContact CE2-CD2 3.75Å; Y102-F110 HydrophobicContact CG-CB 4.29Å; Y102-F110 HydrophobicContact CG-CD2 4.02Å; Y102-F110 AromaticContact CZ-CD2 3.8Å; N106-F110 PolarHBondContact O-N 2.95Å; E107-F110 WeakPolarHBondContact O-CB 3.39Å; E107-F110 PolarHBondContact O-N 2.86Å; E107-F110 VanDerWaalsContact O-N 3.16Å; E108-F110 VanDerWaalsContact C-N 3.26Å; E108-F110 PolarHBondContact O-N 2.87Å; F110-A112 PolarHBondContact O-N 3.49Å; F110-V113 WeakPolarHBondContact O-CB 3.35Å; F110-V113 VanDerWaalsContact O-CG2 3.22Å; F110-V113 WeakPolarHBondContact O-CG2 3.42Å; F110-V113 PolarHBondContact O-N 3.49Å; F110-V145 HydrophobicContact CB-CG1 4.39Å; F110-V145 HydrophobicContact CB-CG2 3.86Å; F110-V145 HydrophobicContact CD1-CG1 4.45Å; F110-V145 HydrophobicContact CD2-CG1 3.74Å; F110-V145 HydrophobicContact CE2-CG1 4.11Å; F110-V145 HydrophobicContact CG-CG1 3.91Å; F110-V145 HydrophobicContact CG-CG2 4.22Å; F110-K149 HydrophobicContact CD1-CD 4.07Å; F110-K149 HydrophobicContact CE1-CD 3.51Å; F110-K149 VanDerWaalsContact CE1-CE 3.43Å; F110-K149 HydrophobicContact CE1-CG 3.76Å; F110-K149 HydrophobicContact CZ-CB 4.3Å; F110-K149 HydrophobicContact CZ-CD 3.91Å; F110-K149 HydrophobicContact CZ-CG 3.68Å; F110-L153 HydrophobicContact CD2-CD2 4.37Å; F110-L153 HydrophobicContact CE1-CD2 4.16Å; F110-L153 HydrophobicContact CE2-CB 4.27Å; F110-L153 HydrophobicContact CE2-CD2 3.58Å; F110-L153 HydrophobicContact CZ-CB 3.94Å; F110-L153 HydrophobicContact CZ-CD2 3.46Å; F110-L153 VanDerWaalsContact CZ-CD2 3.46Å; F110-L153 HydrophobicContact CZ-CG 4.32Å
111	N	96.5	Very high	95.5	Very high	93 Å²	93	43.1 Å²	43.1	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-33.1	178.9	-67.2	-23.2	0	0	0	111.9	E107 E108 V113	E107-N111 VanDerWaalsContact O-CG 3.28Å; E107-N111 PolarHBondContact O-N 3.39Å; E107-N111 PolarHBondContact O-ND2 3.03Å; E108-N111 PolarHBondContact O-N 3.33Å; N111-V113 PolarHBondContact O-N 2.85Å
112	A	95.1	Very high	95.2	Very high	9 Å²	9	47.2 Å²	47.2	7%	0.074	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13	176.8	0	0	0	0	0	114.4	N30 E108 F110 Q114 D115 W116	N30-A112 WeakPolarHBondContact OD1-CB 3.21Å; E108-A112 PolarHBondContact O-N 2.82Å; E108-A112 VanDerWaalsContact O-N 3.08Å; F110-A112 PolarHBondContact O-N 3.49Å; A112-Q114 VanDerWaalsContact C-N 3.26Å; A112-Q114 PolarHBondContact O-N 2.86Å; A112-D115 WeakPolarHBondContact O-CB 3.46Å; A112-D115 PolarHBondContact O-N 3.24Å; A112-D115 VanDerWaalsContact O-N 3.17Å; A112-W116 PolarHBondContact O-N 3.44Å; A112-W116 VanDerWaalsContact O-N 3.13Å
113	V	96.1	Very high	94.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-38.9	-178.4	169.5	0	0	0	0	111.7	L100 Y102 F110 N111 D115 W116 A117 L132 L153 L157	L100-V113 HydrophobicContact CD2-CG1 3.73Å; L100-V113 HydrophobicContact CG-CG1 4.25Å; Y102-V113 HydrophobicContact CD1-CG2 4.07Å; Y102-V113 HydrophobicContact CG-CG2 4.31Å; F110-V113 WeakPolarHBondContact O-CB 3.35Å; F110-V113 VanDerWaalsContact O-CG2 3.22Å; F110-V113 WeakPolarHBondContact O-CG2 3.42Å; F110-V113 PolarHBondContact O-N 3.49Å; N111-V113 PolarHBondContact O-N 2.85Å; V113-D115 PolarHBondContact O-N 3.01Å; V113-W116 PolarHBondContact O-N 3.34Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 2.97Å; V113-L132 HydrophobicContact CG1-CD1 3.62Å; V113-L132 HydrophobicContact CG1-CD2 4.47Å; V113-L132 HydrophobicContact CG2-CD1 4.09Å; V113-L153 HydrophobicContact CB-CD2 3.94Å; V113-L153 HydrophobicContact CG1-CD2 3.69Å; V113-L153 HydrophobicContact CG1-CG 4.47Å; V113-L157 HydrophobicContact CG1-CD1 4.11Å
114	Q	94.8	Very high	94.3	Very high	112 Å²	112	54.4 Å²	54.4	52%	0.523	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-39	179.6	-67.2	-173.6	23.6	0	0	112.4	A112 A117 T118 L153	A112-Q114 VanDerWaalsContact C-N 3.26Å; A112-Q114 PolarHBondContact O-N 2.86Å; Q114-A117 PolarHBondContact O-N 3.17Å; Q114-T118 WeakPolarHBondContact O-CB 3.49Å; Q114-T118 PolarHBondContact O-N 2.68Å; Q114-T118 PolarHBondContact O-OG1 3.14Å; Q114-L153 HydrophobicContact CG-CD1 4.09Å
115	D	93	Very high	93.3	Very high	89 Å²	89	61.8 Å²	61.8	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.8	-66.1	-18.1	0	0	0	110.5	A112 V113 A117 T118 Q119	A112-D115 WeakPolarHBondContact O-CB 3.46Å; A112-D115 PolarHBondContact O-N 3.24Å; A112-D115 VanDerWaalsContact O-N 3.17Å; V113-D115 PolarHBondContact O-N 3.01Å; D115-A117 PolarHBondContact O-N 2.97Å; D115-T118 WeakPolarHBondContact O-CB 3.44Å; D115-T118 PolarHBondContact O-N 3.47Å; D115-Q119 WeakPolarHBondContact O-CG 3.48Å; D115-Q119 PolarHBondContact O-N 2.93Å
116	W	93.3	Very high	92.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.7	-70.1	117.1	0	0	0	112.2	I28 N30 R85 L100 A112 V113 T118 Q119 I120	I28-W116 HydrophobicContact CD1-CB 4.15Å; I28-W116 HydrophobicContact CD1-CE3 4.17Å; N30-W116 PolarHBondContact OD1-NE1 3.13Å; R85-W116 HydrophobicContact CG-CH2 3.55Å; R85-W116 HydrophobicContact CG-CZ2 4.24Å; R85-W116 HydrophobicContact CG-CZ3 4.09Å; L100-W116 HydrophobicContact CD1-CB 3.43Å; L100-W116 VanDerWaalsContact CD1-CB 3.43Å; L100-W116 HydrophobicContact CD1-CG 3.86Å; L100-W116 HydrophobicContact CD2-CB 4.15Å; L100-W116 HydrophobicContact CG-CB 4.47Å; A112-W116 PolarHBondContact O-N 3.44Å; A112-W116 VanDerWaalsContact O-N 3.13Å; V113-W116 PolarHBondContact O-N 3.34Å; W116-T118 VanDerWaalsContact C-N 3.31Å; W116-T118 PolarHBondContact O-N 3.23Å; W116-Q119 WeakPolarHBondContact O-CB 3.28Å; W116-Q119 PolarHBondContact O-N 2.87Å; W116-I120 WeakPolarHBondContact O-CG1 3.27Å; W116-I120 PolarHBondContact O-N 3.25Å
117	A	93.4	Very high	91.4	Very high	2 Å²	2	69.1 Å²	69.1	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-40	175.7	0	0	0	0	0	111.8	L100 V113 Q114 D115 I120 K121 L157 F159	L100-A117 HydrophobicContact CD2-CB 4.31Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 2.97Å; Q114-A117 PolarHBondContact O-N 3.17Å; D115-A117 PolarHBondContact O-N 2.97Å; A117-I120 PolarHBondContact O-N 2.73Å; A117-K121 WeakPolarHBondContact O-CG 3.49Å; A117-K121 PolarHBondContact O-N 2.81Å; A117-L157 HydrophobicContact CB-CD1 4.1Å; A117-L157 HydrophobicContact CB-CD2 4.2Å; A117-F159 HydrophobicContact CB-CE2 3.94Å; A117-F159 HydrophobicContact CB-CZ 4.07Å
118	T	92.4	Very high	91.2	Very high	82 Å²	82	65.7 Å²	65.7	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-41.8	175.3	-58.3	0	0	0	0	111.3	Q114 D115 W116 K121 T122	Q114-T118 WeakPolarHBondContact O-CB 3.49Å; Q114-T118 PolarHBondContact O-N 2.68Å; Q114-T118 PolarHBondContact O-OG1 3.14Å; D115-T118 WeakPolarHBondContact O-CB 3.44Å; D115-T118 PolarHBondContact O-N 3.47Å; W116-T118 VanDerWaalsContact C-N 3.31Å; W116-T118 PolarHBondContact O-N 3.23Å; T118-K121 PolarHBondContact O-N 3.34Å; T118-T122 WeakPolarHBondContact O-CB 3.38Å; T118-T122 PolarHBondContact O-N 2.97Å; T118-T122 PolarHBondContact O-OG1 2.99Å
119	Q	90.4	Very high	91.2	Very high	39 Å²	39	61 Å²	61	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-41.7	175.5	-70.1	-178.2	-10.2	0	0	112.4	Y92 D115 W116 T122 Y123	Y92-Q119 HydrophobicContact CE2-CB 3.93Å; D115-Q119 WeakPolarHBondContact O-CG 3.48Å; D115-Q119 PolarHBondContact O-N 2.93Å; W116-Q119 WeakPolarHBondContact O-CB 3.28Å; W116-Q119 PolarHBondContact O-N 2.87Å; Q119-T122 PolarHBondContact O-N 3.01Å; Q119-Y123 HydrophobicContact CB-CD2 4.3Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.36Å; Q119-Y123 PolarHBondContact O-N 2.76Å
120	I	92	Very high	91.2	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-52.8	174.2	-67.7	163.5	0	0	0	109.1	I28 Y92 F98 L100 W116 A117 T122 Y123 S124 V130	I28-I120 HydrophobicContact CD1-CD1 3.46Å; I28-I120 VanDerWaalsContact CD1-CD1 3.46Å; I28-I120 HydrophobicContact CD1-CG1 3.67Å; I28-I120 HydrophobicContact CG1-CD1 4.46Å; Y92-I120 HydrophobicContact CE2-CG1 4.14Å; F98-I120 HydrophobicContact CB-CD1 4.03Å; F98-I120 HydrophobicContact CD1-CD1 4.1Å; F98-I120 HydrophobicContact CD1-CG1 3.92Å; F98-I120 HydrophobicContact CD2-CG1 4.49Å; F98-I120 HydrophobicContact CD2-CG2 3.9Å; F98-I120 HydrophobicContact CE1-CG1 4.09Å; F98-I120 HydrophobicContact CE2-CG2 3.88Å; F98-I120 HydrophobicContact CG-CD1 4Å; F98-I120 HydrophobicContact CG-CG1 4.12Å; F98-I120 HydrophobicContact CG-CG2 4.35Å; F98-I120 HydrophobicContact CZ-CG1 4.46Å; F98-I120 HydrophobicContact CZ-CG2 4.27Å; L100-I120 HydrophobicContact CD2-CD1 4.46Å; W116-I120 WeakPolarHBondContact O-CG1 3.27Å; W116-I120 PolarHBondContact O-N 3.25Å; A117-I120 PolarHBondContact O-N 2.73Å; I120-T122 PolarHBondContact O-N 3.49Å; I120-Y123 PolarHBondContact O-N 3.17Å; I120-S124 WeakPolarHBondContact CG2-OG 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.38Å; I120-S124 PolarHBondContact O-N 3.1Å; I120-S124 PolarHBondContact O-OG 3.33Å; I120-V130 HydrophobicContact CD1-CG1 4.18Å; I120-V130 HydrophobicContact CD1-CG2 4.3Å; I120-V130 HydrophobicContact CG2-CG2 4.1Å
121	K	90.8	Very high	91.2	Very high	137 Å²	137	61 Å²	61	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-59.3	-31.1	-179.7	-71.2	178.8	179.9	-178.9	0	113.3	A117 T118	A117-K121 WeakPolarHBondContact O-CG 3.49Å; A117-K121 PolarHBondContact O-N 2.81Å; T118-K121 PolarHBondContact O-N 3.34Å
122	T	90.9	Very high	91.3	Very high	86 Å²	86	56.6 Å²	56.6	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-82.9	-38.1	-176.8	-54.4	0	0	0	0	113.1	T118 Q119 I120	T118-T122 WeakPolarHBondContact O-CB 3.38Å; T118-T122 PolarHBondContact O-N 2.97Å; T118-T122 PolarHBondContact O-OG1 2.99Å; Q119-T122 PolarHBondContact O-N 3.01Å; I120-T122 PolarHBondContact O-N 3.49Å
123	Y	89.3	Confident	91.5	Very high	129 Å²	129	56.2 Å²	56.2	51%	0.506	28%	0.279	S	S	.	.	H	α-helix	trans	-118.5	-7.2	-167.3	-56.5	-66.9	0	0	0	114.7	T89 Q119 I120	T89-Y123 HydrophobicContact CG2-CD2 3.79Å; T89-Y123 HydrophobicContact CG2-CE2 4.07Å; T89-Y123 HydrophobicContact CG2-CG 4.48Å; Q119-Y123 HydrophobicContact CB-CD2 4.3Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.36Å; Q119-Y123 PolarHBondContact O-N 2.76Å; I120-Y123 PolarHBondContact O-N 3.17Å
124	S	88.2	Confident	91.6	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	28%	0.279	C	S	.	.	S	Bend	trans	-91.6	179.5	177.4	78.5	0	0	0	0	112.3	I120	I120-S124 WeakPolarHBondContact CG2-OG 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.38Å; I120-S124 PolarHBondContact O-N 3.1Å; I120-S124 PolarHBondContact O-OG 3.33Å
125	W	78	Confident	91.8	Very high	155 Å²	155	51 Å²	51	59%	0.587	26%	0.255	S	S	*	.			trans	-79.6	140.1	177.3	-168.6	16.5	0	0	0	110.4	N127 A128	W125-N127 PolarHBondContact O-N 3Å; W125-N127 VanDerWaalsContact O-N 3.13Å; W125-A128 WeakPolarHBondContact O-CB 3.46Å; W125-A128 PolarHBondContact O-N 3.21Å
126	D	74.8	Confident	92.1	Very high	133 Å²	133	49.1 Å²	49.1	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	120.7	164.1	-63.2	-38.9	0	0	0	107.8
127	N	81.8	Confident	92.3	Very high	106 Å²	106	50 Å²	50	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.5	7.2	-174.1	-45.8	-39.2	0	0	0	117.5	W125 Q129	W125-N127 PolarHBondContact O-N 3Å; W125-N127 VanDerWaalsContact O-N 3.13Å; N127-Q129 PolarHBondContact O-N 2.95Å; N127-Q129 PolarHBondContact O-NE2 3.24Å
128	A	93.1	Very high	92.5	Very high	20 Å²	20	52.2 Å²	52.2	17%	0.165	26%	0.26	C	S	.	.			trans	-60.1	128.5	169	0	0	0	0	0	111.5	M96 F98 W125	M96-A128 WeakPolarHBondContact O-CA 3.34Å; F98-A128 HydrophobicContact CD2-CB 3.96Å; F98-A128 HydrophobicContact CE2-CB 3.65Å; W125-A128 WeakPolarHBondContact O-CB 3.46Å; W125-A128 PolarHBondContact O-N 3.21Å
129	Q	96.6	Very high	92.8	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	143.9	178.6	-59.3	-52.7	-67.6	0	0	110.6	M96 G97 F98 N127 L179 A182 I183 K186	M96-Q129 PolarHBondContact O-N 3.34Å; G97-Q129 CarbonylContact C-O 3.32Å; G97-Q129 VanDerWaalsContact CA-O 3.23Å; G97-Q129 WeakPolarHBondContact CA-O 3.48Å; F98-Q129 PolarHBondContact N-O 2.87Å; N127-Q129 PolarHBondContact O-N 2.95Å; N127-Q129 PolarHBondContact O-NE2 3.24Å; Q129-L179 HydrophobicContact CB-CD1 3.7Å; Q129-A182 HydrophobicContact CB-CB 4.15Å; Q129-A182 HydrophobicContact CG-CB 3.94Å; Q129-I183 HydrophobicContact CB-CG1 4Å; Q129-I183 HydrophobicContact CG-CG1 3.83Å; Q129-K186 HydrophobicContact CG-CG 4.5Å
130	V	97.3	Very high	93.1	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.5	-176.5	-170.7	0	0	0	0	110.4	F98 L100 I120 F159	F98-V130 HydrophobicContact CB-CG1 4.2Å; F98-V130 HydrophobicContact CB-CG2 4.22Å; F98-V130 HydrophobicContact CD2-CG2 4.43Å; F98-V130 WeakPolarHBondContact O-CA 3.26Å; L100-V130 HydrophobicContact CB-CG1 4.16Å; I120-V130 HydrophobicContact CD1-CG1 4.18Å; I120-V130 HydrophobicContact CD1-CG2 4.3Å; I120-V130 HydrophobicContact CG2-CG2 4.1Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.22Å; V130-F159 HydrophobicContact CB-CE1 3.73Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 3.94Å; V130-F159 HydrophobicContact CB-CZ 4.02Å; V130-F159 HydrophobicContact CG1-CD1 4.13Å; V130-F159 HydrophobicContact CG1-CD2 3.73Å; V130-F159 HydrophobicContact CG1-CE1 4.13Å; V130-F159 HydrophobicContact CG1-CE2 3.7Å; V130-F159 HydrophobicContact CG1-CG 3.95Å; V130-F159 HydrophobicContact CG1-CZ 3.92Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.91Å; V130-F159 HydrophobicContact CG2-CZ 4.13Å
131	I	98.4	Very high	93.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.8	168.1	-50.6	-60.8	0	0	0	108.3	F98 L100 V133 D160 F162 R178 L179	F98-I131 PolarHBondContact O-N 3.49Å; L100-I131 PolarHBondContact N-O 3.32Å; I131-V133 HydrophobicContact CG2-CG2 4.05Å; I131-D160 HydrophobicContact CD1-CB 3.59Å; I131-D160 WeakPolarHBondContact CD1-OD2 3.25Å; I131-F162 HydrophobicContact CG2-CD2 3.6Å; I131-F162 HydrophobicContact CG2-CE2 4.04Å; I131-R178 HydrophobicContact CD1-CG 3.9Å; I131-L179 HydrophobicContact CD1-CB 4.37Å; I131-L179 HydrophobicContact CG1-CB 3.73Å; I131-L179 HydrophobicContact CG1-CD1 4.06Å; I131-L179 HydrophobicContact CG1-CG 4.33Å
132	L	98.8	Very high	93.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.4	168.8	-176.2	64.3	0	0	0	109.7	L100 Y102 V113 A154 F159 D160 F161 F162	L100-L132 HydrophobicContact CB-CD1 4.4Å; L100-L132 HydrophobicContact CD2-CD1 4.35Å; L100-L132 HydrophobicContact CG-CD1 3.97Å; L100-L132 CarbonylContact O-C 3.59Å; L100-L132 WeakPolarHBondContact O-CA 3.33Å; Y102-L132 HydrophobicContact CD1-CD1 3.94Å; Y102-L132 HydrophobicContact CD1-CG 4.34Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.24Å; Y102-L132 HydrophobicContact CE1-CG 4.12Å; V113-L132 HydrophobicContact CG1-CD1 3.62Å; V113-L132 HydrophobicContact CG1-CD2 4.47Å; V113-L132 HydrophobicContact CG2-CD1 4.09Å; L132-A154 HydrophobicContact CB-CB 4.26Å; L132-A154 HydrophobicContact CD2-CB 3.9Å; L132-F159 HydrophobicContact CB-CB 4.47Å; L132-D160 PolarHBondContact N-O 2.94Å; L132-F161 HydrophobicContact CB-CD2 4.18Å; L132-F161 HydrophobicContact CD2-CD2 4.03Å; L132-F161 HydrophobicContact CD2-CE2 4.41Å; L132-F161 HydrophobicContact CG-CD2 4.02Å; L132-F161 HydrophobicContact CG-CE2 4.44Å; L132-F161 WeakPolarHBondContact O-CA 3.42Å; L132-F162 PolarHBondContact O-N 2.82Å
133	V	98.8	Very high	94.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.7	179.5	179.1	0	0	0	0	110.7	F38 I99 L100 M101 Y102 I131 N135 F162 A164 A175	F38-V133 HydrophobicContact CE2-CG1 4.22Å; F38-V133 HydrophobicContact CZ-CG1 4.31Å; I99-V133 HydrophobicContact CG2-CB 4.27Å; I99-V133 HydrophobicContact CG2-CG2 3.75Å; L100-V133 PolarHBondContact O-N 3.22Å; M101-V133 WeakPolarHBondContact CA-O 3.48Å; M101-V133 HydrophobicContact CE-CG1 4.24Å; M101-V133 HydrophobicContact CG-CB 4.48Å; M101-V133 HydrophobicContact CG-CG1 4.49Å; Y102-V133 PolarHBondContact N-O 3.31Å; I131-V133 HydrophobicContact CG2-CG2 4.05Å; V133-N135 HydrophobicContact CG1-CB 4.47Å; V133-F162 CarbonylContact C-O 3.58Å; V133-F162 VanDerWaalsContact CA-O 3.3Å; V133-F162 WeakPolarHBondContact CA-O 3.5Å; V133-A164 HydrophobicContact CG1-CB 3.83Å; V133-A175 HydrophobicContact CG2-CB 4.22Å
134	G	98.7	Very high	94.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	99.6	163.9	0	0	0	0	0	109.7	Y102 F162 E163 A164	Y102-G134 VanDerWaalsContact CZ-CA 3.46Å; G134-F162 PolarHBondContact N-O 3.38Å; G134-E163 CarbonylContact O-C 3.5Å; G134-E163 VanDerWaalsContact O-CA 3.27Å; G134-E163 WeakPolarHBondContact O-CA 3.11Å; G134-A164 PolarHBondContact O-N 3.33Å
135	N	98.6	Very high	95	Very high	4 Å²	4	57 Å²	57	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	166	-176.5	-168	34.1	0	0	0	112	V33 M101 Y102 I104 V133 A164 A166	V33-N135 PolarHBondContact O-ND2 3.33Å; M101-N135 HydrophobicContact CG-CB 3.83Å; M101-N135 HydrophobicContact SD-CB 3.77Å; Y102-N135 PolarHBondContact O-N 3.47Å; I104-N135 PolarHBondContact N-O 3.03Å; I104-N135 VanDerWaalsContact N-O 3.1Å; V133-N135 HydrophobicContact CG1-CB 4.47Å; N135-A164 CarbonylContact C-O 3.57Å; N135-A164 VanDerWaalsContact C-O 3.32Å; N135-A164 VanDerWaalsContact CA-O 3.27Å; N135-A164 WeakPolarHBondContact CA-O 3.47Å; N135-A164 PolarHBondContact OD1-O 2.81Å; N135-A166 PolarHBondContact OD1-N 3.34Å
136	K	98.1	Very high	96	Very high	49 Å²	49	53 Å²	53	21%	0.213	27%	0.272	C	S	.	.			trans	67.9	34.1	-178	-46	-169.6	-165.6	166	0	114.1	S32 D103 I104 D138 M139 A164	S32-K136 WeakPolarHBondContact O-CE 3.43Å; S32-K136 PolarHBondContact O-NZ 2.72Å; D103-K136 WeakPolarHBondContact OD1-CD 3.43Å; D103-K136 WeakPolarHBondContact OD2-CD 3.33Å; D103-K136 WeakPolarHBondContact OD2-CE 2.85Å; D103-K136 IonicContact OD2-NZ 3.59Å; D103-K136 PolarHBondContact OD2-NZ 3.18Å; I104-K136 WeakPolarHBondContact CD1-O 3.39Å; I104-K136 WeakPolarHBondContact CG1-O 3.48Å; K136-D138 PolarHBondContact O-N 3.27Å; K136-M139 HydrophobicContact CB-CG 4.32Å; K136-M139 HydrophobicContact CB-SD 4.09Å; K136-M139 HydrophobicContact CD-SD 3.92Å; K136-M139 WeakPolarHBondContact O-CB 3.23Å; K136-M139 PolarHBondContact O-N 3.01Å; K136-A164 PolarHBondContact N-O 2.55Å
137	C	98.2	Very high	97.1	Very high	21 Å²	21	49.6 Å²	49.6	14%	0.142	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.3	176.3	70.4	0	0	0	0	114.6	I104 M139 E163 A164	I104-C137 HydrophobicContact CD1-CB 4.47Å; C137-M139 PolarHBondContact O-N 3.41Å; C137-E163 HydrophobicContact CB-CB 4.07Å; C137-A164 PolarHBondContact N-O 2.85Å; C137-A164 PolarHBondContact SG-O 3.28Å; C137-A164 VanDerWaalsContact SG-O 3.35Å
138	D	98.1	Very high	97.9	Very high	48 Å²	48	48.7 Å²	48.7	26%	0.257	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.9	168.4	60.5	-79	0	0	0	113.6	K136 E140 S165 K167 E168	K136-D138 PolarHBondContact O-N 3.27Å; D138-E140 VanDerWaalsContact C-N 3.34Å; D138-E140 PolarHBondContact O-N 3.08Å; D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.25Å; D138-S165 WeakPolarHBondContact OD1-CB 3.28Å; D138-S165 PolarHBondContact OD1-OG 2.77Å; D138-K167 VanDerWaalsContact OD2-CD 3.32Å; D138-K167 WeakPolarHBondContact OD2-CD 3.48Å; D138-K167 IonicContact OD2-NZ 2.83Å; D138-K167 PolarHBondContact OD2-NZ 3.02Å; D138-E168 HydrophobicContact CB-CB 4.47Å; D138-E168 HydrophobicContact CB-CG 3.57Å
139	M	97.4	Very high	98.2	Very high	54 Å²	54	51.2 Å²	51.2	27%	0.266	26%	0.256	S	S	.	.			trans	-96	49.6	-178.6	-57.3	-177.3	70.3	0	0	111.7	T105 K136 C137 E141 E142 R143	T105-M139 HydrophobicContact CG2-CB 3.69Å; T105-M139 HydrophobicContact CG2-CE 4.5Å; T105-M139 HydrophobicContact CG2-SD 4.33Å; K136-M139 HydrophobicContact CB-CG 4.32Å; K136-M139 HydrophobicContact CB-SD 4.09Å; K136-M139 HydrophobicContact CD-SD 3.92Å; K136-M139 WeakPolarHBondContact O-CB 3.23Å; K136-M139 PolarHBondContact O-N 3.01Å; C137-M139 PolarHBondContact O-N 3.41Å; M139-E141 VanDerWaalsContact C-N 3.27Å; M139-E141 PolarHBondContact O-N 2.98Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CG 4.5Å; M139-E142 WeakPolarHBondContact CE-OE1 3.47Å; M139-E142 VanDerWaalsContact CE-OE2 3.23Å; M139-E142 WeakPolarHBondContact CE-OE2 3.36Å; M139-E142 PolarHBondContact O-N 3.44Å; M139-R143 PolarHBondContact O-N 2.79Å
140	E	97.5	Very high	98.2	Very high	109 Å²	109	49.2 Å²	49.2	51%	0.509	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-60.3	-34.2	-173.4	-169.2	60.2	-147.7	0	0	113.1	D138 E142 R143	D138-E140 VanDerWaalsContact C-N 3.34Å; D138-E140 PolarHBondContact O-N 3.08Å; E140-E142 PolarHBondContact O-N 3.28Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.43Å; E140-R143 PolarHBondContact O-N 3.38Å; E140-R143 WeakPolarHBondContact OE1-CD 3.43Å; E140-R143 IonicContact OE1-CZ 2.82Å; E140-R143 IonicContact OE1-NE 3.99Å; E140-R143 PolarHBondContact OE1-NE 3.27Å; E140-R143 IonicContact OE1-NH2 2.9Å; E140-R143 IonicContact OE2-CZ 3.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.25Å; E140-R143 IonicContact OE2-NE 2.65Å; E140-R143 PolarHBondContact OE2-NE 3.29Å; E140-R143 IonicContact OE2-NH2 2.83Å; E140-R143 PolarHBondContact OE2-NH2 2.93Å
141	E	97.9	Very high	98.3	Very high	203 Å²	203	53.6 Å²	53.6	95%	0.949	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25	177.3	-62.6	-176.1	177.9	0	0	113.1	M139	M139-E141 VanDerWaalsContact C-N 3.27Å; M139-E141 PolarHBondContact O-N 2.98Å
142	E	98.1	Very high	98.3	Very high	116 Å²	116	57.1 Å²	57.1	54%	0.542	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-100.9	6.5	179.6	-64.4	177.5	-126.7	0	0	112	T105 M139 E140 V144	T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.76Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CG 4.5Å; M139-E142 WeakPolarHBondContact CE-OE1 3.47Å; M139-E142 VanDerWaalsContact CE-OE2 3.23Å; M139-E142 WeakPolarHBondContact CE-OE2 3.36Å; M139-E142 PolarHBondContact O-N 3.44Å; E140-E142 PolarHBondContact O-N 3.28Å; E142-V144 PolarHBondContact O-N 2.84Å
143	R	98.6	Very high	98.3	Very high	47 Å²	47	57.5 Å²	57.5	18%	0.177	28%	0.283	C	S	.	.			trans	-61.8	124.4	-177.8	179.8	-177.5	-70.6	-86.7	7.8	110.8	I104 M139 E140 V145 T147 E163	I104-R143 HydrophobicContact CD1-CB 4.2Å; I104-R143 HydrophobicContact CD1-CG 4.22Å; I104-R143 VanDerWaalsContact CD1-CZ 3.46Å; M139-R143 PolarHBondContact O-N 2.79Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.43Å; E140-R143 PolarHBondContact O-N 3.38Å; E140-R143 WeakPolarHBondContact OE1-CD 3.43Å; E140-R143 IonicContact OE1-CZ 2.82Å; E140-R143 IonicContact OE1-NE 3.99Å; E140-R143 PolarHBondContact OE1-NE 3.27Å; E140-R143 IonicContact OE1-NH2 2.9Å; E140-R143 IonicContact OE2-CZ 3.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.25Å; E140-R143 IonicContact OE2-NE 2.65Å; E140-R143 PolarHBondContact OE2-NE 3.29Å; E140-R143 IonicContact OE2-NH2 2.83Å; E140-R143 PolarHBondContact OE2-NH2 2.93Å; R143-V145 WeakPolarHBondContact CD-O 3.4Å; R143-V145 VanDerWaalsContact CG-O 3.28Å; R143-V145 WeakPolarHBondContact CG-O 3.29Å; R143-V145 PolarHBondContact NH1-O 2.87Å; R143-T147 PolarHBondContact NH1-OG1 2.89Å; R143-E163 IonicContact CZ-OE1 3.71Å; R143-E163 IonicContact CZ-OE2 2.97Å; R143-E163 IonicContact NH1-OE1 2.81Å; R143-E163 PolarHBondContact NH1-OE1 2.86Å; R143-E163 IonicContact NH1-OE2 2.73Å; R143-E163 PolarHBondContact NH1-OE2 2.83Å; R143-E163 IonicContact NH2-OE1 3.81Å; R143-E163 IonicContact NH2-OE2 3.3Å; R143-E163 PolarHBondContact NH2-OE2 3.43Å
144	V	98.6	Very high	98.2	Very high	75 Å²	75	57.6 Å²	57.6	46%	0.455	28%	0.283	S	S	.	.			trans	-114.7	-17.9	171	-54.4	0	0	0	0	112.4	I104 T105 E107 E142 P146	I104-V144 PolarHBondContact O-N 3.33Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.5Å; E107-V144 HydrophobicContact CB-CG2 4.08Å; E142-V144 PolarHBondContact O-N 2.84Å; V144-P146 WeakPolarHBondContact O-CD 3.38Å
145	V	98.5	Very high	98.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-105.7	109.5	175.2	-174.1	0	0	0	0	109.5	Y102 I104 F110 R143 K149	Y102-V145 HydrophobicContact CE2-CB 4.1Å; Y102-V145 HydrophobicContact CE2-CG1 3.74Å; Y102-V145 HydrophobicContact CE2-CG2 4.4Å; I104-V145 PolarHBondContact O-N 2.79Å; F110-V145 HydrophobicContact CB-CG1 4.39Å; F110-V145 HydrophobicContact CB-CG2 3.86Å; F110-V145 HydrophobicContact CD1-CG1 4.45Å; F110-V145 HydrophobicContact CD2-CG1 3.74Å; F110-V145 HydrophobicContact CE2-CG1 4.11Å; F110-V145 HydrophobicContact CG-CG1 3.91Å; F110-V145 HydrophobicContact CG-CG2 4.22Å; R143-V145 WeakPolarHBondContact CD-O 3.4Å; R143-V145 VanDerWaalsContact CG-O 3.28Å; R143-V145 WeakPolarHBondContact CG-O 3.29Å; R143-V145 PolarHBondContact NH1-O 2.87Å; V145-K149 HydrophobicContact CG1-CB 4.35Å; V145-K149 HydrophobicContact CG1-CD 4.27Å
146	P	98.4	Very high	98.1	Very high	71 Å²	71	69.8 Å²	69.8	46%	0.461	34%	0.34	S	S	.	.			trans	-62.2	141.2	173.9	-22.3	33.6	0	0	0	111.2	V144 E148 K149 G150	V144-P146 WeakPolarHBondContact O-CD 3.38Å; P146-E148 PolarHBondContact O-N 2.96Å; P146-E148 VanDerWaalsContact O-N 3.15Å; P146-K149 VanDerWaalsContact O-CB 3.3Å; P146-K149 WeakPolarHBondContact O-CB 3.27Å; P146-K149 PolarHBondContact O-N 3.39Å; P146-G150 PolarHBondContact O-N 2.89Å
147	T	98.2	Very high	98	Very high	62 Å²	62	69 Å²	69	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-52.1	-39.1	177.4	-50.7	0	0	0	0	112.5	R143 K149 G150 R151 F161 E163	R143-T147 PolarHBondContact NH1-OG1 2.89Å; T147-K149 VanDerWaalsContact C-N 3.3Å; T147-K149 PolarHBondContact O-N 2.9Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 VanDerWaalsContact O-N 3.14Å; T147-R151 PolarHBondContact O-N 2.63Å; T147-F161 HydrophobicContact CG2-CE1 3.99Å; T147-E163 VanDerWaalsContact CA-OE1 3.25Å; T147-E163 WeakPolarHBondContact CA-OE1 3.23Å; T147-E163 WeakPolarHBondContact CB-OE1 3.19Å; T147-E163 HydrophobicContact CG2-CG 4.1Å; T147-E163 VanDerWaalsContact OG1-CD 3.24Å; T147-E163 PolarHBondContact OG1-OE1 3.18Å; T147-E163 PolarHBondContact OG1-OE2 3.26Å; T147-E163 VanDerWaalsContact OG1-OE2 3.07Å
148	E	98.4	Very high	97.9	Very high	88 Å²	88	71.2 Å²	71.2	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-35	178.5	-175	59.3	-167.5	0	0	112.6	P146 G150 R151 L152	P146-E148 PolarHBondContact O-N 2.96Å; P146-E148 VanDerWaalsContact O-N 3.15Å; E148-G150 VanDerWaalsContact C-N 3.32Å; E148-G150 PolarHBondContact O-N 3.34Å; E148-R151 VanDerWaalsContact CD-NH2 3.29Å; E148-R151 PolarHBondContact O-N 2.92Å; E148-R151 IonicContact OE1-CZ 3.97Å; E148-R151 IonicContact OE1-NE 3.1Å; E148-R151 IonicContact OE1-NH2 3.99Å; E148-R151 PolarHBondContact OE1-NH2 3.2Å; E148-R151 IonicContact OE2-CZ 2.88Å; E148-R151 IonicContact OE2-NE 2.66Å; E148-R151 PolarHBondContact OE2-NE 3.02Å; E148-R151 IonicContact OE2-NH2 3.39Å; E148-R151 PolarHBondContact OE2-NH2 3.04Å; E148-R151 VanDerWaalsContact OE2-NH2 3.1Å; E148-L152 HydrophobicContact CG-CD1 3.97Å; E148-L152 HydrophobicContact CG-CG 4.3Å; E148-L152 WeakPolarHBondContact O-CB 3.44Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 3.34Å
149	K	98.2	Very high	97.9	Very high	72 Å²	72	70.4 Å²	70.4	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.8	-158.2	-170.1	-173.6	-171.2	0	110.5	E107 F110 V145 P146 T147 L153	E107-K149 IonicContact OE1-NZ 2.68Å; E107-K149 PolarHBondContact OE1-NZ 2.99Å; F110-K149 HydrophobicContact CD1-CD 4.07Å; F110-K149 HydrophobicContact CE1-CD 3.51Å; F110-K149 VanDerWaalsContact CE1-CE 3.43Å; F110-K149 HydrophobicContact CE1-CG 3.76Å; F110-K149 HydrophobicContact CZ-CB 4.3Å; F110-K149 HydrophobicContact CZ-CD 3.91Å; F110-K149 HydrophobicContact CZ-CG 3.68Å; V145-K149 HydrophobicContact CG1-CB 4.35Å; V145-K149 HydrophobicContact CG1-CD 4.27Å; P146-K149 VanDerWaalsContact O-CB 3.3Å; P146-K149 WeakPolarHBondContact O-CB 3.27Å; P146-K149 PolarHBondContact O-N 3.39Å; T147-K149 VanDerWaalsContact C-N 3.3Å; T147-K149 PolarHBondContact O-N 2.9Å; K149-L153 WeakPolarHBondContact O-CB 3.37Å; K149-L153 PolarHBondContact O-N 2.96Å; K149-L153 VanDerWaalsContact O-N 3.1Å
150	G	98.1	Very high	97.9	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-49.4	173.9	0	0	0	0	0	112.8	P146 T147 E148 L153 A154	P146-G150 PolarHBondContact O-N 2.89Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 VanDerWaalsContact O-N 3.14Å; E148-G150 VanDerWaalsContact C-N 3.32Å; E148-G150 PolarHBondContact O-N 3.34Å; G150-L153 PolarHBondContact O-N 2.73Å; G150-A154 PolarHBondContact O-N 2.9Å
151	R	98.4	Very high	97.9	Very high	105 Å²	105	67 Å²	67	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-49.4	178.3	-170.3	180	73.1	94.6	-4.8	112.2	T147 E148 L153 A154 E155 F161	T147-R151 PolarHBondContact O-N 2.63Å; E148-R151 VanDerWaalsContact CD-NH2 3.29Å; E148-R151 PolarHBondContact O-N 2.92Å; E148-R151 IonicContact OE1-CZ 3.97Å; E148-R151 IonicContact OE1-NE 3.1Å; E148-R151 IonicContact OE1-NH2 3.99Å; E148-R151 PolarHBondContact OE1-NH2 3.2Å; E148-R151 IonicContact OE2-CZ 2.88Å; E148-R151 IonicContact OE2-NE 2.66Å; E148-R151 PolarHBondContact OE2-NE 3.02Å; E148-R151 IonicContact OE2-NH2 3.39Å; E148-R151 PolarHBondContact OE2-NH2 3.04Å; E148-R151 VanDerWaalsContact OE2-NH2 3.1Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.21Å; R151-A154 WeakPolarHBondContact O-CB 3.2Å; R151-A154 PolarHBondContact O-N 2.81Å; R151-E155 IonicContact CZ-OE1 3.84Å; R151-E155 IonicContact NH1-OE1 3.52Å; R151-E155 PolarHBondContact NH1-OE1 2.81Å; R151-E155 IonicContact NH1-OE2 3.55Å; R151-E155 WeakPolarHBondContact O-CG 3.31Å; R151-E155 PolarHBondContact O-N 2.88Å; R151-F161 HydrophobicContact CB-CD1 3.95Å; R151-F161 HydrophobicContact CB-CE1 4.19Å; R151-F161 HydrophobicContact CG-CD1 4.44Å
152	L	98.6	Very high	97.9	Very high	75 Å²	75	59.7 Å²	59.7	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-41.6	178.8	-72	171.4	0	0	0	111.9	E148 E155 Q156	E148-L152 HydrophobicContact CG-CD1 3.97Å; E148-L152 HydrophobicContact CG-CG 4.3Å; E148-L152 WeakPolarHBondContact O-CB 3.44Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 3.34Å; L152-E155 PolarHBondContact O-N 3.48Å; L152-Q156 VanDerWaalsContact O-CG 3.28Å; L152-Q156 WeakPolarHBondContact O-CG 3.41Å; L152-Q156 PolarHBondContact O-N 3.24Å
153	L	98.2	Very high	98	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-41.3	176.8	-179.5	60.7	0	0	0	111.7	F110 V113 Q114 K149 G150 R151 Q156 L157	F110-L153 HydrophobicContact CD2-CD2 4.37Å; F110-L153 HydrophobicContact CE1-CD2 4.16Å; F110-L153 HydrophobicContact CE2-CB 4.27Å; F110-L153 HydrophobicContact CE2-CD2 3.58Å; F110-L153 HydrophobicContact CZ-CB 3.94Å; F110-L153 HydrophobicContact CZ-CD2 3.46Å; F110-L153 VanDerWaalsContact CZ-CD2 3.46Å; F110-L153 HydrophobicContact CZ-CG 4.32Å; V113-L153 HydrophobicContact CB-CD2 3.94Å; V113-L153 HydrophobicContact CG1-CD2 3.69Å; V113-L153 HydrophobicContact CG1-CG 4.47Å; Q114-L153 HydrophobicContact CG-CD1 4.09Å; K149-L153 WeakPolarHBondContact O-CB 3.37Å; K149-L153 PolarHBondContact O-N 2.96Å; K149-L153 VanDerWaalsContact O-N 3.1Å; G150-L153 PolarHBondContact O-N 2.73Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.21Å; L153-Q156 PolarHBondContact O-N 2.87Å; L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.27Å; L153-L157 PolarHBondContact O-N 3.46Å
154	A	98.1	Very high	98	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176.3	0	0	0	0	0	111.7	L132 G150 R151 Q156 L157 G158 F159 F161	L132-A154 HydrophobicContact CB-CB 4.26Å; L132-A154 HydrophobicContact CD2-CB 3.9Å; G150-A154 PolarHBondContact O-N 2.9Å; R151-A154 WeakPolarHBondContact O-CB 3.2Å; R151-A154 PolarHBondContact O-N 2.81Å; A154-Q156 PolarHBondContact O-N 2.84Å; A154-L157 CarbonylContact O-C 3.54Å; A154-L157 PolarHBondContact O-N 2.99Å; A154-L157 VanDerWaalsContact O-N 3.16Å; A154-G158 PolarHBondContact O-N 2.78Å; A154-F159 HydrophobicContact CB-CB 4.47Å; A154-F159 PolarHBondContact O-N 3.25Å; A154-F161 HydrophobicContact CB-CB 3.64Å; A154-F161 HydrophobicContact CB-CD2 4.39Å; A154-F161 HydrophobicContact CB-CG 4.25Å
155	E	97.9	Very high	98	Very high	109 Å²	109	50 Å²	50	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-44.8	175.6	-74.1	174	-169.1	0	0	111.9	R151 L152 L157 G158	R151-E155 IonicContact CZ-OE1 3.84Å; R151-E155 IonicContact NH1-OE1 3.52Å; R151-E155 PolarHBondContact NH1-OE1 2.81Å; R151-E155 IonicContact NH1-OE2 3.55Å; R151-E155 WeakPolarHBondContact O-CG 3.31Å; R151-E155 PolarHBondContact O-N 2.88Å; L152-E155 PolarHBondContact O-N 3.48Å; E155-L157 VanDerWaalsContact C-N 3.27Å; E155-L157 PolarHBondContact O-N 3.47Å; E155-G158 PolarHBondContact O-N 2.81Å
156	Q	97.4	Very high	97.9	Very high	151 Å²	151	50.1 Å²	50.1	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-34.5	176.3	-74	174.4	-8.1	0	0	112.9	L152 L153 A154	L152-Q156 VanDerWaalsContact O-CG 3.28Å; L152-Q156 WeakPolarHBondContact O-CG 3.41Å; L152-Q156 PolarHBondContact O-N 3.24Å; L153-Q156 PolarHBondContact O-N 2.87Å; A154-Q156 PolarHBondContact O-N 2.84Å
157	L	95.9	Very high	97.8	Very high	33 Å²	33	51.4 Å²	51.4	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-86.1	-14.2	179.4	-66.1	174.6	0	0	0	113.2	V113 A117 L153 A154 E155 F159	V113-L157 HydrophobicContact CG1-CD1 4.11Å; A117-L157 HydrophobicContact CB-CD1 4.1Å; A117-L157 HydrophobicContact CB-CD2 4.2Å; L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.27Å; L153-L157 PolarHBondContact O-N 3.46Å; A154-L157 CarbonylContact O-C 3.54Å; A154-L157 PolarHBondContact O-N 2.99Å; A154-L157 VanDerWaalsContact O-N 3.16Å; E155-L157 VanDerWaalsContact C-N 3.27Å; E155-L157 PolarHBondContact O-N 3.47Å; L157-F159 HydrophobicContact CB-CD1 4.22Å; L157-F159 HydrophobicContact CB-CD2 3.68Å; L157-F159 HydrophobicContact CB-CE1 4.21Å; L157-F159 HydrophobicContact CB-CE2 3.69Å; L157-F159 HydrophobicContact CB-CG 3.96Å; L157-F159 HydrophobicContact CB-CZ 3.96Å; L157-F159 HydrophobicContact CD1-CD2 3.99Å; L157-F159 HydrophobicContact CD1-CE2 3.74Å; L157-F159 HydrophobicContact CG-CD2 4.5Å; L157-F159 HydrophobicContact CG-CE2 4.27Å; L157-F159 WeakPolarHBondContact O-CE1 3.43Å
158	G	95.9	Very high	97.8	Very high	67 Å²	67	53.7 Å²	53.7	69%	0.691	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	31.5	-174.7	0	0	0	0	0	113.5	A154 E155	A154-G158 PolarHBondContact O-N 2.78Å; E155-G158 PolarHBondContact O-N 2.81Å
159	F	96.9	Very high	97.7	Very high	30 Å²	30	52.9 Å²	52.9	13%	0.132	26%	0.264	C	S	.	.			trans	-106.7	150.4	-178.9	-56.8	-17.9	0	0	0	110.6	L100 A117 V130 L132 A154 L157	L100-F159 HydrophobicContact CD2-CE2 4.24Å; A117-F159 HydrophobicContact CB-CE2 3.94Å; A117-F159 HydrophobicContact CB-CZ 4.07Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.22Å; V130-F159 HydrophobicContact CB-CE1 3.73Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 3.94Å; V130-F159 HydrophobicContact CB-CZ 4.02Å; V130-F159 HydrophobicContact CG1-CD1 4.13Å; V130-F159 HydrophobicContact CG1-CD2 3.73Å; V130-F159 HydrophobicContact CG1-CE1 4.13Å; V130-F159 HydrophobicContact CG1-CE2 3.7Å; V130-F159 HydrophobicContact CG1-CG 3.95Å; V130-F159 HydrophobicContact CG1-CZ 3.92Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.91Å; V130-F159 HydrophobicContact CG2-CZ 4.13Å; L132-F159 HydrophobicContact CB-CB 4.47Å; A154-F159 HydrophobicContact CB-CB 4.47Å; A154-F159 PolarHBondContact O-N 3.25Å; L157-F159 HydrophobicContact CB-CD1 4.22Å; L157-F159 HydrophobicContact CB-CD2 3.68Å; L157-F159 HydrophobicContact CB-CE1 4.21Å; L157-F159 HydrophobicContact CB-CE2 3.69Å; L157-F159 HydrophobicContact CB-CG 3.96Å; L157-F159 HydrophobicContact CB-CZ 3.96Å; L157-F159 HydrophobicContact CD1-CD2 3.99Å; L157-F159 HydrophobicContact CD1-CE2 3.74Å; L157-F159 HydrophobicContact CG-CD2 4.5Å; L157-F159 HydrophobicContact CG-CE2 4.27Å; L157-F159 WeakPolarHBondContact O-CE1 3.43Å
160	D	97.4	Very high	97.7	Very high	50 Å²	50	52.8 Å²	52.8	27%	0.267	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	155.8	163.6	-57.2	-62.7	0	0	0	109.8	I131 L132 R178	I131-D160 HydrophobicContact CD1-CB 3.59Å; I131-D160 WeakPolarHBondContact CD1-OD2 3.25Å; L132-D160 PolarHBondContact N-O 2.94Å; D160-R178 HydrophobicContact CB-CG 4.47Å; D160-R178 IonicContact OD1-CZ 3.25Å; D160-R178 IonicContact OD1-NE 2.88Å; D160-R178 PolarHBondContact OD1-NE 2.99Å; D160-R178 IonicContact OD1-NH2 2.79Å; D160-R178 PolarHBondContact OD1-NH2 2.8Å; D160-R178 IonicContact OD2-CZ 3.65Å; D160-R178 IonicContact OD2-NE 2.76Å; D160-R178 PolarHBondContact OD2-NE 2.98Å; D160-R178 IonicContact OD2-NH1 3.42Å; D160-R178 IonicContact OD2-NH2 3.52Å; D160-R178 PolarHBondContact OD2-NH2 2.88Å
161	F	98.6	Very high	97.7	Very high	42 Å²	42	54.2 Å²	54.2	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.8	-176.2	178.5	-115.7	0	0	0	112.6	Y102 L132 T147 R151 A154 E163	Y102-F161 HydrophobicContact CE1-CE2 4.08Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.23Å; L132-F161 HydrophobicContact CB-CD2 4.18Å; L132-F161 HydrophobicContact CD2-CD2 4.03Å; L132-F161 HydrophobicContact CD2-CE2 4.41Å; L132-F161 HydrophobicContact CG-CD2 4.02Å; L132-F161 HydrophobicContact CG-CE2 4.44Å; L132-F161 WeakPolarHBondContact O-CA 3.42Å; T147-F161 HydrophobicContact CG2-CE1 3.99Å; R151-F161 HydrophobicContact CB-CD1 3.95Å; R151-F161 HydrophobicContact CB-CE1 4.19Å; R151-F161 HydrophobicContact CG-CD1 4.44Å; A154-F161 HydrophobicContact CB-CB 3.64Å; A154-F161 HydrophobicContact CB-CD2 4.39Å; A154-F161 HydrophobicContact CB-CG 4.25Å; F161-E163 HydrophobicContact CE1-CG 4.04Å; F161-E163 HydrophobicContact CZ-CG 3.62Å
162	F	98.6	Very high	97.7	Very high	50 Å²	50	49.2 Å²	49.2	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.2	167.9	-67.7	-93.7	0	0	0	110.6	I131 L132 V133 G134 Q174 A175 R178	I131-F162 HydrophobicContact CG2-CD2 3.6Å; I131-F162 HydrophobicContact CG2-CE2 4.04Å; L132-F162 PolarHBondContact O-N 2.82Å; V133-F162 CarbonylContact C-O 3.58Å; V133-F162 VanDerWaalsContact CA-O 3.3Å; V133-F162 WeakPolarHBondContact CA-O 3.5Å; G134-F162 PolarHBondContact N-O 3.38Å; F162-Q174 HydrophobicContact CD1-CB 4.47Å; F162-Q174 HydrophobicContact CE1-CB 3.98Å; F162-A175 HydrophobicContact CD2-CB 4.18Å; F162-A175 HydrophobicContact CG-CB 4.34Å; F162-R178 HydrophobicContact CE2-CB 3.94Å; F162-R178 HydrophobicContact CE2-CG 3.95Å; F162-R178 HydrophobicContact CZ-CB 3.92Å; F162-R178 HydrophobicContact CZ-CG 4.12Å
163	E	98.6	Very high	97.6	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.3	153	-70.7	-163.5	162.7	0	0	109.9	G134 C137 R143 T147 F161 S171	G134-E163 CarbonylContact O-C 3.5Å; G134-E163 VanDerWaalsContact O-CA 3.27Å; G134-E163 WeakPolarHBondContact O-CA 3.11Å; C137-E163 HydrophobicContact CB-CB 4.07Å; R143-E163 IonicContact CZ-OE1 3.71Å; R143-E163 IonicContact CZ-OE2 2.97Å; R143-E163 IonicContact NH1-OE1 2.81Å; R143-E163 PolarHBondContact NH1-OE1 2.86Å; R143-E163 IonicContact NH1-OE2 2.73Å; R143-E163 PolarHBondContact NH1-OE2 2.83Å; R143-E163 IonicContact NH2-OE1 3.81Å; R143-E163 IonicContact NH2-OE2 3.3Å; R143-E163 PolarHBondContact NH2-OE2 3.43Å; T147-E163 VanDerWaalsContact CA-OE1 3.25Å; T147-E163 WeakPolarHBondContact CA-OE1 3.23Å; T147-E163 WeakPolarHBondContact CB-OE1 3.19Å; T147-E163 HydrophobicContact CG2-CG 4.1Å; T147-E163 VanDerWaalsContact OG1-CD 3.24Å; T147-E163 PolarHBondContact OG1-OE1 3.18Å; T147-E163 PolarHBondContact OG1-OE2 3.26Å; T147-E163 VanDerWaalsContact OG1-OE2 3.07Å; F161-E163 HydrophobicContact CE1-CG 4.04Å; F161-E163 HydrophobicContact CZ-CG 3.62Å; E163-S171 WeakPolarHBondContact O-CB 3.33Å; E163-S171 PolarHBondContact O-OG 3.22Å
164	A	98.6	Very high	97.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.4	-172	0	0	0	0	0	112.6	F38 V133 G134 N135 K136 C137 I170	F38-A164 HydrophobicContact CE2-CB 3.66Å; F38-A164 HydrophobicContact CZ-CB 4.33Å; V133-A164 HydrophobicContact CG1-CB 3.83Å; G134-A164 PolarHBondContact O-N 3.33Å; N135-A164 CarbonylContact C-O 3.57Å; N135-A164 VanDerWaalsContact C-O 3.32Å; N135-A164 VanDerWaalsContact CA-O 3.27Å; N135-A164 WeakPolarHBondContact CA-O 3.47Å; N135-A164 PolarHBondContact OD1-O 2.81Å; K136-A164 PolarHBondContact N-O 2.55Å; C137-A164 PolarHBondContact N-O 2.85Å; C137-A164 PolarHBondContact SG-O 3.28Å; C137-A164 VanDerWaalsContact SG-O 3.35Å; A164-I170 CarbonylContact C-O 3.5Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.25Å; A164-I170 WeakPolarHBondContact CB-O 3.5Å
165	S	98.3	Very high	97.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-134	114.6	170.7	175.4	0	0	0	0	109.3	D138 K167 E168 N169 I170 V172	D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.25Å; D138-S165 WeakPolarHBondContact OD1-CB 3.28Å; D138-S165 PolarHBondContact OD1-OG 2.77Å; S165-K167 PolarHBondContact O-N 2.67Å; S165-K167 PolarHBondContact OG-N 3.45Å; S165-E168 PolarHBondContact OG-N 2.96Å; S165-N169 CarbonylContact O-C 3.6Å; S165-N169 WeakPolarHBondContact O-CA 3.42Å; S165-N169 PolarHBondContact O-N 2.92Å; S165-I170 PolarHBondContact N-O 3.16Å; S165-I170 PolarHBondContact O-N 3.03Å; S165-V172 WeakPolarHBondContact O-CG2 3.43Å
166	A	97.2	Very high	97.6	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.7	169	0	0	0	0	0	112.2	F38 R41 F47 N135	F38-A166 HydrophobicContact CB-CB 4.35Å; F38-A166 HydrophobicContact CD2-CB 4.29Å; R41-A166 HydrophobicContact CB-CB 4.49Å; R41-A166 PolarHBondContact NE-O 3.13Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.44Å; N135-A166 PolarHBondContact OD1-N 3.34Å
167	K	96.8	Very high	97.6	Very high	99 Å²	99	46.5 Å²	46.5	43%	0.43	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-56.7	-178.8	-179.3	-173.2	166.5	-162.2	0	110.9	R41 F47 D138 S165 N169	R41-K167 PolarHBondContact NH2-O 3.35Å; F47-K167 HydrophobicContact CD1-CB 4.4Å; F47-K167 HydrophobicContact CD1-CG 4.17Å; F47-K167 HydrophobicContact CD2-CB 4.26Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CD 4.46Å; F47-K167 HydrophobicContact CE1-CG 3.77Å; F47-K167 HydrophobicContact CE2-CB 3.87Å; F47-K167 HydrophobicContact CZ-CB 3.75Å; F47-K167 HydrophobicContact CZ-CG 3.97Å; D138-K167 VanDerWaalsContact OD2-CD 3.32Å; D138-K167 WeakPolarHBondContact OD2-CD 3.48Å; D138-K167 IonicContact OD2-NZ 2.83Å; D138-K167 PolarHBondContact OD2-NZ 3.02Å; S165-K167 PolarHBondContact O-N 2.67Å; S165-K167 PolarHBondContact OG-N 3.45Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 2.68Å
168	E	97.3	Very high	97.7	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.5	-177.2	-58.3	-56.1	144.3	0	0	113.3	D138 S165 I170	D138-E168 HydrophobicContact CB-CB 4.47Å; D138-E168 HydrophobicContact CB-CG 3.57Å; S165-E168 PolarHBondContact OG-N 2.96Å; E168-I170 VanDerWaalsContact C-N 3.28Å; E168-I170 HydrophobicContact CB-CD1 3.8Å; E168-I170 HydrophobicContact CB-CG1 3.89Å; E168-I170 PolarHBondContact O-N 3.29Å
169	N	97.2	Very high	97.8	Very high	71 Å²	71	45.7 Å²	45.7	38%	0.38	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	37.7	-178.1	-163.2	20.9	0	0	0	113.8	R41 S165 K167	R41-N169 WeakPolarHBondContact CD-OD1 3.47Å; R41-N169 HydrophobicContact CG-CB 4.34Å; R41-N169 WeakPolarHBondContact CG-OD1 3.43Å; S165-N169 CarbonylContact O-C 3.6Å; S165-N169 WeakPolarHBondContact O-CA 3.42Å; S165-N169 PolarHBondContact O-N 2.92Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 2.68Å
170	I	98.4	Very high	97.7	Very high	71 Å²	71	44.3 Å²	44.3	36%	0.364	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-88.4	127.5	179	-59.6	169.8	0	0	0	108.7	A164 S165 E168 V172	A164-I170 CarbonylContact C-O 3.5Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.25Å; A164-I170 WeakPolarHBondContact CB-O 3.5Å; S165-I170 PolarHBondContact N-O 3.16Å; S165-I170 PolarHBondContact O-N 3.03Å; E168-I170 VanDerWaalsContact C-N 3.28Å; E168-I170 HydrophobicContact CB-CD1 3.8Å; E168-I170 HydrophobicContact CB-CG1 3.89Å; E168-I170 PolarHBondContact O-N 3.29Å; I170-V172 PolarHBondContact O-N 3.07Å
171	S	97.8	Very high	97.7	Very high	29 Å²	29	44.2 Å²	44.2	20%	0.203	20%	0.203	C	C	.	.	S	Bend	trans	57.3	4.7	175.1	-54.1	0	0	0	0	116.6	E163 Q174 A175	E163-S171 WeakPolarHBondContact O-CB 3.33Å; E163-S171 PolarHBondContact O-OG 3.22Å; S171-Q174 VanDerWaalsContact C-OE1 3.28Å; S171-Q174 PolarHBondContact O-N 3.35Å; S171-A175 WeakPolarHBondContact O-CB 3.26Å; S171-A175 PolarHBondContact O-N 3.44Å
172	V	98.1	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-53.5	-176.3	179.8	0	0	0	0	110.2	F38 R41 S165 I170 F176	F38-V172 HydrophobicContact CD1-CG1 4.29Å; F38-V172 HydrophobicContact CD2-CG1 4.13Å; F38-V172 HydrophobicContact CD2-CG2 3.99Å; F38-V172 HydrophobicContact CE1-CG1 4.09Å; F38-V172 HydrophobicContact CE2-CB 4.01Å; F38-V172 HydrophobicContact CE2-CG1 3.93Å; F38-V172 HydrophobicContact CE2-CG2 3.68Å; F38-V172 HydrophobicContact CG-CG1 4.3Å; F38-V172 HydrophobicContact CZ-CB 4.17Å; F38-V172 HydrophobicContact CZ-CG1 3.92Å; F38-V172 HydrophobicContact CZ-CG2 4.34Å; R41-V172 HydrophobicContact CB-CG1 4.28Å; R41-V172 HydrophobicContact CG-CB 4.24Å; R41-V172 HydrophobicContact CG-CG1 3.98Å; R41-V172 HydrophobicContact CG-CG2 3.95Å; S165-V172 WeakPolarHBondContact O-CG2 3.43Å; I170-V172 PolarHBondContact O-N 3.07Å; V172-F176 WeakPolarHBondContact O-CD2 3.45Å
173	R	96.9	Very high	97.3	Very high	149 Å²	149	40.2 Å²	40.2	56%	0.562	19%	0.186	S	C	*	.	H	α-helix	trans	-61.1	-51.2	178.7	179	171.5	173.3	159.7	-0.6	110.1	A175 F176 E177	R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 3.27Å; R173-F176 PolarHBondContact O-N 3.23Å; R173-E177 HydrophobicContact CG-CG 3.82Å; R173-E177 IonicContact CZ-OE1 2.72Å; R173-E177 VanDerWaalsContact CZ-OE1 3.3Å; R173-E177 IonicContact NE-OE1 2.82Å; R173-E177 PolarHBondContact NE-OE1 3.09Å; R173-E177 IonicContact NE-OE2 3.5Å; R173-E177 IonicContact NH2-OE1 3.63Å; R173-E177 PolarHBondContact NH2-OE1 3.39Å; R173-E177 VanDerWaalsContact O-CG 3.28Å; R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 3.48Å
174	Q	98.1	Very high	97	Very high	95 Å²	95	39.6 Å²	39.6	44%	0.444	19%	0.186	S	C	.	.	H	α-helix	trans	-53.6	-42.3	-176.8	-65.9	84	-17.2	0	0	112.3	F162 S171 F176 E177 R178	F162-Q174 HydrophobicContact CD1-CB 4.47Å; F162-Q174 HydrophobicContact CE1-CB 3.98Å; S171-Q174 VanDerWaalsContact C-OE1 3.28Å; S171-Q174 PolarHBondContact O-N 3.35Å; Q174-F176 PolarHBondContact O-N 3.18Å; Q174-E177 PolarHBondContact O-N 3.33Å; Q174-R178 WeakPolarHBondContact O-CB 3.26Å; Q174-R178 PolarHBondContact O-N 2.85Å
175	A	98.4	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-44.2	176.8	0	0	0	0	0	112.5	F38 V133 F162 S171 R173 L179	F38-A175 HydrophobicContact CZ-CB 4.1Å; V133-A175 HydrophobicContact CG2-CB 4.22Å; F162-A175 HydrophobicContact CD2-CB 4.18Å; F162-A175 HydrophobicContact CG-CB 4.34Å; S171-A175 WeakPolarHBondContact O-CB 3.26Å; S171-A175 PolarHBondContact O-N 3.44Å; R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 3.27Å; A175-L179 WeakPolarHBondContact O-CB 3.34Å; A175-L179 PolarHBondContact O-N 3.36Å; A175-L179 VanDerWaalsContact O-N 3.15Å
176	F	97.9	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-41.6	175.2	-80.9	-81.6	0	0	0	112.3	L25 I27 F38 Y42 I75 I99 V172 R173 Q174 L179 V180	L25-F176 HydrophobicContact CD1-CD1 4.33Å; I27-F176 HydrophobicContact CD1-CZ 3.95Å; F38-F176 AromaticContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CZ 4.13Å; F38-F176 AromaticContact CE1-CD2 3.91Å; F38-F176 HydrophobicContact CE1-CD2 3.91Å; F38-F176 AromaticContact CE1-CE2 3.37Å; F38-F176 HydrophobicContact CE1-CE2 3.37Å; F38-F176 HydrophobicContact CE1-CZ 4.18Å; F38-F176 HydrophobicContact CZ-CE2 4.49Å; Y42-F176 VanDerWaalsContact CB-CE2 3.43Å; Y42-F176 AromaticContact CD1-CD1 3.99Å; Y42-F176 HydrophobicContact CD1-CD1 3.99Å; Y42-F176 AromaticContact CD1-CD2 3.76Å; Y42-F176 HydrophobicContact CD1-CD2 3.76Å; Y42-F176 HydrophobicContact CD1-CE1 4.02Å; Y42-F176 AromaticContact CD1-CE2 3.79Å; Y42-F176 HydrophobicContact CD1-CE2 3.79Å; Y42-F176 AromaticContact CD1-CG 3.86Å; Y42-F176 HydrophobicContact CD1-CG 3.86Å; Y42-F176 AromaticContact CD1-CZ 3.92Å; Y42-F176 HydrophobicContact CD1-CZ 3.92Å; Y42-F176 HydrophobicContact CD2-CB 3.95Å; Y42-F176 AromaticContact CD2-CD2 3.42Å; Y42-F176 HydrophobicContact CD2-CD2 3.42Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.42Å; Y42-F176 HydrophobicContact CD2-CE2 4.06Å; Y42-F176 AromaticContact CD2-CG 3.8Å; Y42-F176 HydrophobicContact CD2-CG 3.8Å; Y42-F176 HydrophobicContact CE1-CB 4.19Å; Y42-F176 AromaticContact CE1-CD1 3.86Å; Y42-F176 HydrophobicContact CE1-CD1 3.86Å; Y42-F176 HydrophobicContact CE1-CD2 4.2Å; Y42-F176 HydrophobicContact CE1-CE1 4.26Å; Y42-F176 AromaticContact CE1-CG 3.83Å; Y42-F176 HydrophobicContact CE1-CG 3.83Å; Y42-F176 HydrophobicContact CE2-CB 3.5Å; Y42-F176 VanDerWaalsContact CE2-CB 3.5Å; Y42-F176 AromaticContact CE2-CD2 3.9Å; Y42-F176 HydrophobicContact CE2-CD2 3.9Å; Y42-F176 AromaticContact CE2-CG 3.77Å; Y42-F176 HydrophobicContact CE2-CG 3.77Å; Y42-F176 HydrophobicContact CG-CB 4.46Å; Y42-F176 HydrophobicContact CG-CD1 4.4Å; Y42-F176 AromaticContact CG-CD2 3.33Å; Y42-F176 HydrophobicContact CG-CD2 3.33Å; Y42-F176 AromaticContact CG-CE2 3.48Å; Y42-F176 HydrophobicContact CG-CE2 3.48Å; Y42-F176 VanDerWaalsContact CG-CE2 3.48Å; Y42-F176 AromaticContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CZ 4.1Å; Y42-F176 AromaticContact CZ-CG 3.78Å; I75-F176 HydrophobicContact CD1-CD1 4.29Å; I75-F176 HydrophobicContact CD1-CE1 3.77Å; I75-F176 HydrophobicContact CD1-CZ 4.42Å; I75-F176 HydrophobicContact CG1-CE1 4.32Å; I75-F176 HydrophobicContact CG2-CE1 3.95Å; I75-F176 HydrophobicContact CG2-CZ 4.34Å; I99-F176 HydrophobicContact CD1-CD1 3.69Å; I99-F176 HydrophobicContact CD1-CD2 4.16Å; I99-F176 HydrophobicContact CD1-CE1 3.35Å; I99-F176 HydrophobicContact CD1-CE2 3.88Å; I99-F176 HydrophobicContact CD1-CG 4.08Å; I99-F176 HydrophobicContact CD1-CZ 3.46Å; I99-F176 VanDerWaalsContact CD1-CZ 3.46Å; V172-F176 WeakPolarHBondContact O-CD2 3.45Å; R173-F176 PolarHBondContact O-N 3.23Å; Q174-F176 PolarHBondContact O-N 3.18Å; F176-L179 PolarHBondContact O-N 2.79Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.26Å; F176-V180 PolarHBondContact O-N 2.78Å
177	E	96.4	Very high	95.8	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-47.8	179.4	-57.1	-166.4	135.9	0	0	110.6	R66 R173 Q174 L179 V180 D181	R66-E177 IonicContact CZ-OE1 2.95Å; R66-E177 IonicContact NH2-OE1 2.62Å; R66-E177 PolarHBondContact NH2-OE1 3.16Å; R66-E177 IonicContact NH2-OE2 3.54Å; R173-E177 HydrophobicContact CG-CG 3.82Å; R173-E177 IonicContact CZ-OE1 2.72Å; R173-E177 VanDerWaalsContact CZ-OE1 3.3Å; R173-E177 IonicContact NE-OE1 2.82Å; R173-E177 PolarHBondContact NE-OE1 3.09Å; R173-E177 IonicContact NE-OE2 3.5Å; R173-E177 IonicContact NH2-OE1 3.63Å; R173-E177 PolarHBondContact NH2-OE1 3.39Å; R173-E177 VanDerWaalsContact O-CG 3.28Å; R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 3.48Å; Q174-E177 PolarHBondContact O-N 3.33Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.18Å; E177-V180 PolarHBondContact O-N 3.06Å; E177-V180 VanDerWaalsContact O-N 3.15Å; E177-D181 PolarHBondContact O-N 2.93Å
178	R	97.7	Very high	95.1	Very high	84 Å²	84	47.8 Å²	47.8	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-41.9	176.9	177.8	61.8	-174.1	106.4	4.6	112.5	I131 D160 F162 Q174 D181 A182	I131-R178 HydrophobicContact CD1-CG 3.9Å; D160-R178 HydrophobicContact CB-CG 4.47Å; D160-R178 IonicContact OD1-CZ 3.25Å; D160-R178 IonicContact OD1-NE 2.88Å; D160-R178 PolarHBondContact OD1-NE 2.99Å; D160-R178 IonicContact OD1-NH2 2.79Å; D160-R178 PolarHBondContact OD1-NH2 2.8Å; D160-R178 IonicContact OD2-CZ 3.65Å; D160-R178 IonicContact OD2-NE 2.76Å; D160-R178 PolarHBondContact OD2-NE 2.98Å; D160-R178 IonicContact OD2-NH1 3.42Å; D160-R178 IonicContact OD2-NH2 3.52Å; D160-R178 PolarHBondContact OD2-NH2 2.88Å; F162-R178 HydrophobicContact CE2-CB 3.94Å; F162-R178 HydrophobicContact CE2-CG 3.95Å; F162-R178 HydrophobicContact CZ-CB 3.92Å; F162-R178 HydrophobicContact CZ-CG 4.12Å; Q174-R178 WeakPolarHBondContact O-CB 3.26Å; Q174-R178 PolarHBondContact O-N 2.85Å; R178-D181 PolarHBondContact O-N 3.14Å; R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 2.83Å
179	L	97.8	Very high	94.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-44.6	176.8	-179.7	55.1	0	0	0	111.8	L25 I99 Q129 I131 A175 F176 E177 D181 A182 I183	L25-L179 HydrophobicContact CD1-CD2 4.28Å; L25-L179 HydrophobicContact CD2-CD2 4.06Å; L25-L179 HydrophobicContact CD2-CG 4.33Å; I99-L179 HydrophobicContact CD1-CD2 4.39Å; I99-L179 HydrophobicContact CG1-CD2 3.87Å; Q129-L179 HydrophobicContact CB-CD1 3.7Å; I131-L179 HydrophobicContact CD1-CB 4.37Å; I131-L179 HydrophobicContact CG1-CB 3.73Å; I131-L179 HydrophobicContact CG1-CD1 4.06Å; I131-L179 HydrophobicContact CG1-CG 4.33Å; A175-L179 WeakPolarHBondContact O-CB 3.34Å; A175-L179 PolarHBondContact O-N 3.36Å; A175-L179 VanDerWaalsContact O-N 3.15Å; F176-L179 PolarHBondContact O-N 2.79Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.18Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-D181 PolarHBondContact O-N 2.88Å; L179-A182 PolarHBondContact O-N 2.89Å; L179-I183 HydrophobicContact CD1-CD1 4.13Å; L179-I183 HydrophobicContact CD1-CG1 4.39Å; L179-I183 HydrophobicContact CG-CD1 4.1Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 2.81Å; L179-I183 VanDerWaalsContact O-N 3.08Å
180	V	96.8	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-42.4	178.2	172.8	0	0	0	0	110.6	F23 V64 R66 L73 F176 E177 I183 C184	F23-V180 HydrophobicContact CD2-CG1 4.2Å; F23-V180 HydrophobicContact CE2-CG1 3.92Å; V64-V180 HydrophobicContact CG2-CG1 4.47Å; R66-V180 HydrophobicContact CG-CG1 3.84Å; L73-V180 HydrophobicContact CD1-CG2 3.88Å; L73-V180 HydrophobicContact CD2-CG2 3.65Å; L73-V180 HydrophobicContact CG-CG2 4.43Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.26Å; F176-V180 PolarHBondContact O-N 2.78Å; E177-V180 PolarHBondContact O-N 3.06Å; E177-V180 VanDerWaalsContact O-N 3.15Å; V180-I183 PolarHBondContact O-N 2.62Å; V180-C184 PolarHBondContact O-N 2.79Å; V180-C184 PolarHBondContact O-SG 3.1Å
181	D	95.5	Very high	91.4	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.251	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-45	178.1	-62.4	-20.1	0	0	0	110.8	R66 E177 R178 L179 I183 C184 D185	R66-D181 WeakPolarHBondContact CD-OD1 3.35Å; R66-D181 IonicContact NE-OD1 2.78Å; E177-D181 PolarHBondContact O-N 2.93Å; R178-D181 PolarHBondContact O-N 3.14Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-D181 PolarHBondContact O-N 2.88Å; D181-I183 VanDerWaalsContact C-N 3.26Å; D181-I183 PolarHBondContact O-N 2.8Å; D181-C184 WeakPolarHBondContact O-CA 3.19Å; D181-C184 WeakPolarHBondContact O-CB 3.39Å; D181-C184 PolarHBondContact O-N 2.8Å; D181-D185 VanDerWaalsContact O-CG 3.25Å; D181-D185 PolarHBondContact O-N 2.98Å
182	A	95.3	Very high	89.6	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-40	175.2	0	0	0	0	0	112.9	Q129 R178 L179 K186	Q129-A182 HydrophobicContact CB-CB 4.15Å; Q129-A182 HydrophobicContact CG-CB 3.94Å; R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 2.83Å; L179-A182 PolarHBondContact O-N 2.89Å; A182-K186 PolarHBondContact O-N 3.02Å; A182-K186 VanDerWaalsContact O-N 3.11Å
183	I	94.9	Very high	87.6	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-40.1	177	-65.9	164.8	0	0	0	110.6	F23 L25 M96 Q129 L179 V180 D181 K186 M187	F23-I183 HydrophobicContact CD1-CG2 4.08Å; F23-I183 HydrophobicContact CD2-CB 4.22Å; F23-I183 HydrophobicContact CD2-CD1 4.16Å; F23-I183 HydrophobicContact CD2-CG2 3.88Å; F23-I183 HydrophobicContact CE1-CG2 3.9Å; F23-I183 HydrophobicContact CE2-CB 3.97Å; F23-I183 HydrophobicContact CE2-CG2 3.65Å; F23-I183 HydrophobicContact CG-CG2 4.11Å; F23-I183 HydrophobicContact CZ-CB 4.43Å; F23-I183 HydrophobicContact CZ-CG2 3.7Å; L25-I183 HydrophobicContact CD2-CD1 3.47Å; L25-I183 VanDerWaalsContact CD2-CD1 3.47Å; M96-I183 HydrophobicContact CB-CD1 4.11Å; M96-I183 HydrophobicContact CB-CG1 4.48Å; M96-I183 HydrophobicContact CB-CG2 4.21Å; M96-I183 HydrophobicContact CE-CG2 3.63Å; Q129-I183 HydrophobicContact CB-CG1 4Å; Q129-I183 HydrophobicContact CG-CG1 3.83Å; L179-I183 HydrophobicContact CD1-CD1 4.13Å; L179-I183 HydrophobicContact CD1-CG1 4.39Å; L179-I183 HydrophobicContact CG-CD1 4.1Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 2.81Å; L179-I183 VanDerWaalsContact O-N 3.08Å; V180-I183 PolarHBondContact O-N 2.62Å; D181-I183 VanDerWaalsContact C-N 3.26Å; D181-I183 PolarHBondContact O-N 2.8Å; I183-K186 PolarHBondContact O-N 2.66Å; I183-M187 WeakPolarHBondContact O-CG 3.17Å; I183-M187 PolarHBondContact O-N 3.11Å
184	C	92.6	Very high	85	Confident	21 Å²	21	55.8 Å²	55.8	14%	0.142	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176	-65.2	0	0	0	0	111	V180 D181 K186 M187 S188	V180-C184 PolarHBondContact O-N 2.79Å; V180-C184 PolarHBondContact O-SG 3.1Å; D181-C184 WeakPolarHBondContact O-CA 3.19Å; D181-C184 WeakPolarHBondContact O-CB 3.39Å; D181-C184 PolarHBondContact O-N 2.8Å; C184-K186 VanDerWaalsContact C-N 3.28Å; C184-K186 PolarHBondContact O-N 3.01Å; C184-M187 PolarHBondContact O-N 3.28Å; C184-M187 VanDerWaalsContact O-N 3.1Å; C184-S188 PolarHBondContact O-N 3.38Å; C184-S188 PolarHBondContact O-OG 3.34Å
185	D	91.5	Very high	82.3	Confident	78 Å²	78	57.2 Å²	57.2	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-42	179.5	-63	-18.6	0	0	0	111.1	D181 S188 D189	D181-D185 VanDerWaalsContact O-CG 3.25Å; D181-D185 PolarHBondContact O-N 2.98Å; D185-S188 WeakPolarHBondContact CA-OG 3.38Å; D185-S188 PolarHBondContact O-N 3.15Å; D185-S188 PolarHBondContact O-OG 3.25Å; D185-D189 PolarHBondContact O-N 3.24Å
186	K	89.4	Confident	79.7	Confident	87 Å²	87	61.4 Å²	61.4	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-70.4	-31.6	176.2	-76.8	-42	-173	-171.7	0	115.1	Q129 A182 I183 C184 D189 S190	Q129-K186 HydrophobicContact CG-CG 4.5Å; A182-K186 PolarHBondContact O-N 3.02Å; A182-K186 VanDerWaalsContact O-N 3.11Å; I183-K186 PolarHBondContact O-N 2.66Å; C184-K186 VanDerWaalsContact C-N 3.28Å; C184-K186 PolarHBondContact O-N 3.01Å; K186-D189 IonicContact NZ-OD2 3.74Å; K186-D189 PolarHBondContact NZ-OD2 3.21Å; K186-S190 PolarHBondContact O-N 2.97Å; K186-S190 PolarHBondContact O-OG 2.97Å
187	M	86.1	Confident	77.2	Confident	54 Å²	54	68.5 Å²	68.5	27%	0.266	38%	0.38	S	S	.	.	H	α-helix	trans	-69.5	-37.5	171.6	-73.9	-159.6	-54.9	0	0	111.9	Y21 F23 M96 I183 C184 S190 L191	Y21-M187 HydrophobicContact CD1-CE 3.84Å; Y21-M187 HydrophobicContact CE1-CE 4.07Å; Y21-M187 HydrophobicContact CG-CE 4.18Å; F23-M187 HydrophobicContact CE1-CE 3.34Å; F23-M187 HydrophobicContact CE1-SD 4.13Å; F23-M187 HydrophobicContact CZ-CE 3.45Å; F23-M187 VanDerWaalsContact CZ-CE 3.45Å; M96-M187 HydrophobicContact CE-CG 4.34Å; M96-M187 HydrophobicContact CE-SD 3.71Å; I183-M187 WeakPolarHBondContact O-CG 3.17Å; I183-M187 PolarHBondContact O-N 3.11Å; C184-M187 PolarHBondContact O-N 3.28Å; C184-M187 VanDerWaalsContact O-N 3.1Å; M187-S190 PolarHBondContact O-N 3.4Å; M187-L191 WeakPolarHBondContact O-CG 3.42Å; M187-L191 PolarHBondContact O-N 2.99Å
188	S	83.9	Confident	74.7	Confident	54 Å²	54	74.3 Å²	74.3	38%	0.378	41%	0.411	S	S	.	.	H	α-helix	trans	-64.7	-46.1	174.9	42	0	0	0	0	112.4	C184 D185 S190 L191 D192	C184-S188 PolarHBondContact O-N 3.38Å; C184-S188 PolarHBondContact O-OG 3.34Å; D185-S188 WeakPolarHBondContact CA-OG 3.38Å; D185-S188 PolarHBondContact O-N 3.15Å; D185-S188 PolarHBondContact O-OG 3.25Å; S188-S190 PolarHBondContact O-N 2.67Å; S188-L191 PolarHBondContact O-N 2.99Å; S188-D192 PolarHBondContact O-N 3.29Å
189	D	80.1	Confident	71.8	Confident	76 Å²	76	73.3 Å²	73.3	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-55.1	-38.7	177.1	-72.3	-10.3	0	0	0	111.7	D185 K186 L191 T193	D185-D189 PolarHBondContact O-N 3.24Å; K186-D189 IonicContact NZ-OD2 3.74Å; K186-D189 PolarHBondContact NZ-OD2 3.21Å; D189-L191 VanDerWaalsContact C-N 3.33Å; D189-L191 PolarHBondContact O-N 3.15Å; D189-T193 PolarHBondContact O-OG1 3.35Å
190	S	72.2	Confident	69.2	Low	70 Å²	70	78.7 Å²	78.7	49%	0.49	47%	0.465	S	S	.	.	H	α-helix	trans	-70.7	-28	-178.4	-56.3	0	0	0	0	113	K186 M187 S188	K186-S190 PolarHBondContact O-N 2.97Å; K186-S190 PolarHBondContact O-OG 2.97Å; M187-S190 PolarHBondContact O-N 3.4Å; S188-S190 PolarHBondContact O-N 2.67Å
191	L	61.9	Low	66.3	Low	119 Å²	119	84.9 Å²	84.9	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-79.4	-30.6	-179.9	-69	167.5	0	0	0	112.3	M187 S188 D189 T193	M187-L191 WeakPolarHBondContact O-CG 3.42Å; M187-L191 PolarHBondContact O-N 2.99Å; S188-L191 PolarHBondContact O-N 2.99Å; D189-L191 VanDerWaalsContact C-N 3.33Å; D189-L191 PolarHBondContact O-N 3.15Å; L191-T193 VanDerWaalsContact C-N 3.32Å
192	D	59.6	Low	63.6	Low	142 Å²	142	91.9 Å²	91.9	76%	0.759	54%	0.536	S	S	*	.	H	α-helix	trans	-79.3	-15.9	179.1	-69.3	-34.8	0	0	0	113.1	S188	S188-D192 PolarHBondContact O-N 3.29Å
193	T	56.3	Low	60.8	Low	117 Å²	117	99.6 Å²	99.6	72%	0.718	58%	0.577	S	S	*	*	S	Bend	trans	-93.9	-13.2	-173.2	-42.7	0	0	0	0	113.8	D189 L191	D189-T193 PolarHBondContact O-OG1 3.35Å; L191-T193 VanDerWaalsContact C-N 3.32Å
194	D	43.6	Very low	58	Low	73 Å²	73	105.7 Å²	105.7	39%	0.39	61%	0.614	S	S	.	*			trans	-150.6	97.2	-178.6	-152.1	-19.9	0	0	0	114.6	S196	D194-S196 PolarHBondContact O-N 3.16Å; D194-S196 VanDerWaalsContact O-N 3.13Å; D194-S196 PolarHBondContact OD1-N 2.93Å; D194-S196 PolarHBondContact OD1-OG 3.37Å
195	P	40	Very low	55.3	Low	125 Å²	125	116.5 Å²	116.5	81%	0.812	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-4.4	177.6	-16.8	29.7	0	0	0	114.7
196	S	44	Very low	52.8	Low	89 Å²	89	120.7 Å²	120.7	62%	0.622	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-4.5	-166.8	73	0	0	0	0	115.5	D194	D194-S196 PolarHBondContact O-N 3.16Å; D194-S196 VanDerWaalsContact O-N 3.13Å; D194-S196 PolarHBondContact OD1-N 2.93Å; D194-S196 PolarHBondContact OD1-OG 3.37Å
197	M	46	Very low	50.3	Low	149 Å²	149	121.8 Å²	121.8	73%	0.734	69%	0.692	S	S	*	*			trans	-101.4	9.5	-171.7	-72.1	-71.7	-178.5	0	0	115.7	G199	M197-G199 VanDerWaalsContact C-N 3.28Å; M197-G199 PolarHBondContact O-N 2.95Å
198	L	44.6	Very low	48	Very low	167 Å²	167	126.9 Å²	126.9	87%	0.874	72%	0.721	S	S	*	*			trans	-81.2	75.7	167.6	-86.7	93.6	0	0	0	110.8
199	G	35.5	Very low	45.7	Very low	63 Å²	63	130.4 Å²	130.4	65%	0.649	74%	0.74	S	S	*	*			trans	-153.1	91.4	179.1	0	0	0	0	0	113.7	M197	M197-G199 VanDerWaalsContact C-N 3.28Å; M197-G199 PolarHBondContact O-N 2.95Å
200	S	43.6	Very low	43.8	Very low	113 Å²	113	132 Å²	132	79%	0.79	76%	0.755	S	S	*	*			trans	68.3	99.2	161	-62.8	0	0	0	0	118.6
201	S	36.7	Very low	42.1	Very low	131 Å²	131	134.8 Å²	134.8	92%	0.916	77%	0.771	S	S	*	*			trans	-120.4	88.1	143.4	-74.6	0	0	0	0	108.8
202	K	37.8	Very low	40.8	Very low	194 Å²	194	137.2 Å²	137.2	84%	0.843	78%	0.784	S	S	*	*			trans	-71.1	132.7	165.3	-83	-179.7	175	175.8	0	108.6	T204	K202-T204 PolarHBondContact O-N 3.31Å
203	N	37.2	Very low	39.8	Very low	166 Å²	166	138.7 Å²	138.7	89%	0.888	79%	0.791	S	S	*	*			trans	-27.9	114.3	167.8	-77.5	-20.6	0	0	0	114.9
204	T	34.8	Very low	39	Very low	131 Å²	131	142 Å²	142	80%	0.804	80%	0.798	S	S	*	*			trans	-105.9	103.2	156.5	15.9	0	0	0	0	109	K202 L206	K202-T204 PolarHBondContact O-N 3.31Å; T204-L206 PolarHBondContact O-N 3.23Å
205	R	36.4	Very low	38.8	Very low	248 Å²	248	147.3 Å²	147.3	94%	0.936	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.2	161.6	-93.9	178.3	168.6	175.6	-3.9	108.2
206	L	38.5	Very low	38.6	Very low	166 Å²	166	148.6 Å²	148.6	87%	0.869	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-94.3	118.2	164.9	-73.2	161	0	0	0	107.7	T204	T204-L206 PolarHBondContact O-N 3.23Å
207	S	36.9	Very low	38.4	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-87.9	123.5	166.6	50.4	0	0	0	0	108.9
208	D	37.8	Very low	38.3	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.4	121.1	172.7	-73.4	-47.9	0	0	0	111.6
209	T	36.5	Very low	38.4	Very low	127 Å²	127	150.4 Å²	150.4	78%	0.779	86%	0.858	S	S	*	*			trans	-145.2	121.4	150.4	-21.9	0	0	0	0	109.1
210	P	40.5	Very low	38.6	Very low	110 Å²	110	154.8 Å²	154.8	71%	0.714	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-74.3	147.8	175.9	28.3	-31.3	0	0	0	111.2
211	P	36.8	Very low	38.3	Very low	128 Å²	128	157 Å²	157	83%	0.831	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.4	178.7	27.5	-30.9	0	0	0	111.5
212	L	34.9	Very low	38.4	Very low	171 Å²	171	158.4 Å²	158.4	90%	0.895	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-71.1	128	171.7	-74.5	165	0	0	0	110.4	Q214	L212-Q214 PolarHBondContact O-N 3.23Å
213	L	38.1	Very low	38.5	Very low	173 Å²	173	156.4 Å²	156.4	91%	0.906	87%	0.872	S	S	*	*			trans	-62.1	111.6	167.3	-78.7	152.8	0	0	0	109.6	Q215	L213-Q215 PolarHBondContact O-N 3.38Å
214	Q	39.8	Very low	38.5	Very low	186 Å²	186	155.8 Å²	155.8	87%	0.869	87%	0.871	S	S	*	*			trans	-72.5	106.5	166.3	-93.5	175.3	-18.2	0	0	109.6	L212 N216	L212-Q214 PolarHBondContact O-N 3.23Å; Q214-N216 PolarHBondContact O-N 3.31Å
215	Q	37.9	Very low	38.8	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.864	88%	0.875	S	S	*	*			trans	-67.8	112.1	157.2	-81.8	178.2	-23.2	0	0	108.6	L213	L213-Q215 PolarHBondContact O-N 3.38Å
216	N	36.4	Very low	39	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	87%	0.871	S	S	*	*			trans	-100.7	98.3	162.3	-111.1	8.5	0	0	0	108.1	Q214	Q214-N216 PolarHBondContact O-N 3.31Å
217	C	38.9	Very low	39	Very low	125 Å²	125	149.8 Å²	149.8	85%	0.845	87%	0.871	S	S	*	*			trans	-109.5	119.4	158	-79.7	0	0	0	0	107.4
218	S	46	Very low	39.2	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	88%	0.88	S	S	*	*			trans	-136.9	131.7	164.2	-50.6	0	0	0	0	108.4
219	C	46.7	Very low	39.3	Very low	207 Å²	207	152.3 Å²	152.3	100%	1.399	88%	0.881	S	S	*	*			trans	-56.7	0	177.2	-55.1	0	0	0	0	114.6

Retrieved 219 of 219 residues in 1932.1 ms (Link to these results)

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