A0A3B3V982_9TELE Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A3B3V982, Species 9TELE (Poecilia latipinna, sailfin molly), Gene ARF5, Length 180 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	45	Very low	243 Å²	243	128.8 Å²	128.8	100%	1.197	72%	0.716	S	S	*	*				0	95.4	0	-74.4	-163.9	-80.7	0	0	107.6
2	G	42.1	Very low	44.5	Very low	85 Å²	85	129.5 Å²	129.5	88%	0.876	72%	0.716	S	S	*	*			trans	-84.1	114.9	-172.7	0	0	0	0	0	110.9
3	L	51	Low	44.8	Very low	152 Å²	152	132.2 Å²	132.2	80%	0.796	72%	0.717	S	S	*	*			trans	-122.1	153	167.5	-70.1	167	0	0	0	107.2
4	T	52.8	Low	45.1	Very low	105 Å²	105	127.1 Å²	127.1	64%	0.644	71%	0.711	S	S	*	*	S	Bend	trans	78.9	50.2	163.4	67.4	0	0	0	0	120.3
5	I	49.4	Very low	45.7	Very low	126 Å²	126	127.7 Å²	127.7	65%	0.646	70%	0.703	S	S	*	*	S	Bend	trans	-125.7	-29.3	156	-60.3	-179.9	0	0	0	112.5	S7 F9	I5-S7 PolarHBondContact O-N 3.28Å; I5-F9 HydrophobicContact CG2-CD2 3.95Å; I5-F9 HydrophobicContact CG2-CE2 4.34Å; I5-F9 PolarHBondContact O-N 3.49Å
6	S	47.6	Very low	46.5	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	69%	0.688	S	S	*	*	H	α-helix	trans	-68.6	-35.2	-177.7	54.4	0	0	0	0	114.8	S10	S6-S10 PolarHBondContact O-N 3.46Å
7	S	43.3	Very low	47.4	Very low	70 Å²	70	127.8 Å²	127.8	49%	0.49	69%	0.689	S	S	.	*	H	α-helix	trans	-81.7	-16.2	-177.5	58.4	0	0	0	0	114.5	I5 S10	I5-S7 PolarHBondContact O-N 3.28Å; S7-S10 PolarHBondContact O-OG 3.15Å
8	L	42.2	Very low	48.9	Very low	103 Å²	103	121 Å²	121	54%	0.539	65%	0.652	S	S	.	*	H	α-helix	trans	-90.2	-33	173.8	-81.7	160.8	0	0	0	111.6	S10 R11 L12	L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å; L8-R11 PolarHBondContact O-N 3.47Å; L8-L12 PolarHBondContact O-N 3.32Å
9	F	42	Very low	50.6	Low	129 Å²	129	120.8 Å²	120.8	57%	0.566	64%	0.641	S	S	*	*	H	α-helix	trans	-66.4	-32.1	174	-108.9	-93.2	0	0	0	113.1	I5 R11 L12 F13	I5-F9 HydrophobicContact CG2-CD2 3.95Å; I5-F9 HydrophobicContact CG2-CE2 4.34Å; I5-F9 PolarHBondContact O-N 3.49Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å; F9-L12 PolarHBondContact O-N 3.17Å; F9-F13 HydrophobicContact CD1-CE2 4.46Å; F9-F13 PolarHBondContact O-N 3.4Å; F9-F13 VanDerWaalsContact O-N 3.15Å
10	S	43.6	Very low	52.3	Low	84 Å²	84	114.9 Å²	114.9	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-20.5	175.3	61.4	0	0	0	0	114	S6 S7 L8	S6-S10 PolarHBondContact O-N 3.46Å; S7-S10 PolarHBondContact O-OG 3.15Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å
11	R	41.3	Very low	54	Low	217 Å²	217	109.6 Å²	109.6	82%	0.819	58%	0.582	S	S	*	*	H	α-helix	trans	-87.5	-15.9	172	-76.9	-176.1	174.3	177.4	-1.1	113.6	L8 F9	L8-R11 PolarHBondContact O-N 3.47Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å
12	L	40	Very low	56.4	Low	137 Å²	137	98.1 Å²	98.1	72%	0.717	53%	0.525	S	S	*	.	H	α-helix	trans	-96.4	-14.4	177.8	-80.9	160.6	0	0	0	113.4	L8 F9 G14	L8-L12 PolarHBondContact O-N 3.32Å; F9-L12 PolarHBondContact O-N 3.17Å; L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.01Å
13	F	47.8	Very low	58.7	Low	164 Å²	164	94.2 Å²	94.2	72%	0.719	48%	0.484	S	S	*	.	S	Bend	trans	-72	91.1	162.4	-97	-96.3	0	0	0	108.5	F9	F9-F13 HydrophobicContact CD1-CE2 4.46Å; F9-F13 PolarHBondContact O-N 3.4Å; F9-F13 VanDerWaalsContact O-N 3.15Å
14	G	48.7	Very low	60.7	Low	62 Å²	62	87 Å²	87	64%	0.639	45%	0.446	S	S	*	.			trans	-50	142.9	174.2	0	0	0	0	0	111.1	L12 K16	L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.01Å; G14-K16 PolarHBondContact O-N 2.86Å
15	K	53.8	Low	62.5	Low	135 Å²	135	82.2 Å²	82.2	59%	0.587	42%	0.417	S	S	*	.			trans	-52.3	105	174.1	-65	-177.5	-179.3	-175.1	0	108	Q17 E57	K15-Q17 PolarHBondContact O-N 3.41Å; K15-E57 IonicContact NZ-OE2 3.28Å; K15-E57 PolarHBondContact NZ-OE2 3.18Å
16	K	59.2	Low	64.3	Low	107 Å²	107	78.3 Å²	78.3	47%	0.465	40%	0.397	S	S	.	.			trans	-63.1	102.6	174.8	-175.6	172.4	169.3	-172.4	0	106.3	G14 M18 R180	G14-K16 PolarHBondContact O-N 2.86Å; K16-M18 HydrophobicContact CB-CE 4.03Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.3Å; K16-M18 HydrophobicContact CG-CE 3.56Å; K16-M18 HydrophobicContact CG-SD 4.05Å; K16-M18 PolarHBondContact O-N 3.19Å; K16-R180 PolarHBondContact NZ-OXT 3.29Å
17	Q	61	Low	66.3	Low	151 Å²	151	76.6 Å²	76.6	71%	0.706	39%	0.389	S	S	*	.			trans	-64.4	111	-179.5	-72.3	-170	-14	0	0	108.3	K15	K15-Q17 PolarHBondContact O-N 3.41Å
18	M	75.8	Confident	68.6	Low	5 Å²	5	73.3 Å²	73.3	3%	0.025	37%	0.366	C	S	.	.			trans	-94.9	123.8	179.4	-62.2	-60.2	-175.5	0	0	109.9	K16 I20 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.03Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.3Å; K16-M18 HydrophobicContact CG-CE 3.56Å; K16-M18 HydrophobicContact CG-SD 4.05Å; K16-M18 PolarHBondContact O-N 3.19Å; M18-I20 PolarHBondContact O-N 2.74Å; M18-Q86 VanDerWaalsContact CA-OE1 3.28Å; M18-Q86 VanDerWaalsContact SD-CD 3.6Å; M18-Q86 PolarHBondContact SD-NE2 3.28Å; M18-L177 HydrophobicContact CB-CD1 4.33Å; M18-L177 HydrophobicContact CG-CD1 4.48Å
19	R	80.6	Confident	71	Confident	118 Å²	118	68.9 Å²	68.9	45%	0.445	35%	0.346	S	S	.	.			trans	-79.5	119.9	174.6	-179.8	178.3	-66.9	-128.5	-5.6	109.8	N84 Q86 G87	R19-N84 WeakPolarHBondContact CB-O 3.39Å; R19-Q86 VanDerWaalsContact N-OE1 3.1Å; R19-Q86 PolarHBondContact O-N 2.91Å; R19-G87 PolarHBondContact O-N 2.94Å
20	I	85.4	Confident	73.2	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	176.2	-56.9	-175.2	0	0	0	109.3	M18 I61 F63 T64 G87 I89 L173 L177	M18-I20 PolarHBondContact O-N 2.74Å; I20-I61 HydrophobicContact CD1-CD1 4.27Å; I20-I61 HydrophobicContact CD1-CG2 3.27Å; I20-I61 HydrophobicContact CG1-CG2 4.1Å; I20-F63 HydrophobicContact CB-CB 3.54Å; I20-F63 HydrophobicContact CD1-CB 4.24Å; I20-F63 HydrophobicContact CG1-CB 4.22Å; I20-F63 HydrophobicContact CG2-CB 4.03Å; I20-T64 PolarHBondContact O-N 2.9Å; I20-T64 VanDerWaalsContact O-N 3.12Å; I20-T64 VanDerWaalsContact O-O 3.07Å; I20-G87 CarbonylContact C-O 3.56Å; I20-G87 WeakPolarHBondContact CA-O 3.32Å; I20-G87 WeakPolarHBondContact CG2-O 3.16Å; I20-I89 HydrophobicContact CG2-CD1 3.86Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; I20-L173 HydrophobicContact CD1-CD2 3.76Å; I20-L173 HydrophobicContact CD1-CG 4.22Å; I20-L173 HydrophobicContact CG2-CD2 4.27Å; I20-L177 HydrophobicContact CD1-CD1 3.66Å; I20-L177 HydrophobicContact CG1-CD1 4.12Å
21	L	87.4	Confident	75.1	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124	177.9	177.1	57.7	0	0	0	109.5	V23 W66 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.84Å; L21-V23 HydrophobicContact CD2-CG1 4.2Å; L21-V23 HydrophobicContact CG-CG1 3.82Å; L21-W66 HydrophobicContact CD1-CG 4.06Å; L21-F82 HydrophobicContact CD2-CD1 3.68Å; L21-F82 HydrophobicContact CD2-CE1 3.82Å; L21-T85 HydrophobicContact CB-CG2 3.72Å; L21-G87 PolarHBondContact N-O 3.47Å; L21-L88 HydrophobicContact CB-CD1 4.28Å; L21-L88 HydrophobicContact CD2-CD1 4.27Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.49Å; L21-I89 PolarHBondContact O-N 3.06Å; L21-M110 HydrophobicContact CD2-CE 4.25Å
22	M	89.6	Confident	77.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	170.5	-175.8	170.2	65.2	0	0	111.4	K30 I33 L34 V65 I89 V91	M22-K30 HydrophobicContact CE-CB 4.03Å; M22-K30 WeakPolarHBondContact CE-O 3.3Å; M22-K30 HydrophobicContact CG-CG 4.43Å; M22-I33 HydrophobicContact CE-CB 4.41Å; M22-I33 HydrophobicContact CE-CG2 4.34Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.02Å; M22-L34 HydrophobicContact CE-CB 4.35Å; M22-V65 HydrophobicContact CE-CB 3.99Å; M22-V65 HydrophobicContact CE-CG1 3.21Å; M22-V65 HydrophobicContact CE-CG2 3.6Å; M22-I89 CarbonylContact C-O 3.57Å; M22-I89 VanDerWaalsContact CA-O 3.31Å; M22-I89 WeakPolarHBondContact CA-O 3.4Å; M22-I89 HydrophobicContact CB-CB 4.07Å; M22-I89 HydrophobicContact CG-CB 4Å; M22-I89 HydrophobicContact CG-CG2 3.91Å; M22-I89 HydrophobicContact SD-CG2 4.09Å; M22-V91 HydrophobicContact CG-CG2 3.77Å; M22-V91 HydrophobicContact SD-CG2 3.74Å
23	V	90.3	Very high	79.7	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	176	-174.4	-71.7	0	0	0	0	111.3	L21 K30 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.84Å; L21-V23 HydrophobicContact CD2-CG1 4.2Å; L21-V23 HydrophobicContact CG-CG1 3.82Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; V23-W78 HydrophobicContact CB-CD2 4.45Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; V23-I89 PolarHBondContact N-O 3.35Å; V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 WeakPolarHBondContact O-CA 3.3Å; V23-V91 PolarHBondContact O-N 3.39Å; V23-M110 HydrophobicContact CB-CE 4.42Å; V23-M110 HydrophobicContact CB-SD 4.45Å; V23-M110 HydrophobicContact CG1-CE 4.41Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.78Å
24	G	92.1	Very high	81.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.			trans	145.7	172.5	-176	0	0	0	0	0	111	K30 G70	G24-K30 PolarHBondContact O-NZ 2.57Å; G24-G70 WeakPolarHBondContact O-CA 3.43Å
25	L	91.2	Very high	82.7	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	-62.5	162.4	-179.4	-56.7	-164.3	0	0	0	112.7	A28 K30 R99 E102 S103 E106	L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 2.88Å; L25-K30 PolarHBondContact O-NZ 3.14Å; L25-R99 HydrophobicContact CD1-CB 3.96Å; L25-E102 HydrophobicContact CD1-CB 4.15Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; L25-S103 WeakPolarHBondContact CD1-OG 3.3Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; L25-E106 HydrophobicContact CD2-CG 4.17Å
26	D	87.1	Confident	84.1	Confident	44 Å²	44	32.6 Å²	32.6	24%	0.235	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	153.8	172.7	58.7	-82.8	0	0	0	110.5	A28 G70 Q71 R99	D26-A28 PolarHBondContact O-N 2.63Å; D26-G70 VanDerWaalsContact N-CA 3.3Å; D26-G70 VanDerWaalsContact OD1-O 3.09Å; D26-Q71 HydrophobicContact CB-CG 4.05Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 2.9Å; D26-R99 IonicContact OD2-CZ 3.63Å; D26-R99 IonicContact OD2-NH1 3.3Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å; D26-R99 IonicContact OD2-NH2 3.81Å
27	A	89	Confident	85	Confident	66 Å²	66	28.7 Å²	28.7	55%	0.545	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	1.4	-174.7	0	0	0	0	0	116.5	G29 K127	A27-G29 PolarHBondContact O-N 2.87Å; A27-G29 VanDerWaalsContact O-N 3.14Å; A27-K127 WeakPolarHBondContact O-CE 3.37Å; A27-K127 PolarHBondContact O-NZ 3.11Å
28	A	93.5	Very high	85.4	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.136	C	C	.	.	S	Bend	trans	-63.5	-18.8	178	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 2.88Å; D26-A28 PolarHBondContact O-N 2.63Å; A28-V91 HydrophobicContact CB-CB 4.36Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.38Å; A28-V91 WeakPolarHBondContact O-CG1 3.47Å; A28-N126 PolarHBondContact O-ND2 3.18Å
29	G	91.5	Very high	84.9	Confident	11 Å²	11	30.6 Å²	30.6	11%	0.113	16%	0.157	C	C	.	.	S	Bend	trans	103.3	14.8	176	0	0	0	0	0	115.6	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 2.87Å; A27-G29 VanDerWaalsContact O-N 3.14Å; G29-T31 VanDerWaalsContact C-N 3.35Å; G29-T31 PolarHBondContact O-N 2.64Å; G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 2.7Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å
30	K	89.2	Confident	83.6	Confident	11 Å²	11	27.5 Å²	27.5	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-50.7	-49.7	175.6	-63.6	-176.2	-61.3	-74.7	0	112.9	M22 V23 G24 L25 T32 I33 L34 V91	M22-K30 HydrophobicContact CE-CB 4.03Å; M22-K30 WeakPolarHBondContact CE-O 3.3Å; M22-K30 HydrophobicContact CG-CG 4.43Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; G24-K30 PolarHBondContact O-NZ 2.57Å; L25-K30 PolarHBondContact O-NZ 3.14Å; K30-T32 PolarHBondContact O-N 2.97Å; K30-I33 PolarHBondContact O-N 3.31Å; K30-L34 PolarHBondContact O-N 3.17Å; K30-V91 HydrophobicContact CG-CB 3.89Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31	T	82.6	Confident	81.4	Confident	26 Å²	26	34.2 Å²	34.2	16%	0.16	19%	0.193	C	C	.	.	H	α-helix	trans	-59.8	-47.5	178.1	-32.6	0	0	0	0	111.1	G29 I33 L34 Y35 T45 D67	G29-T31 VanDerWaalsContact C-N 3.35Å; G29-T31 PolarHBondContact O-N 2.64Å; T31-I33 VanDerWaalsContact C-N 3.3Å; T31-I33 PolarHBondContact O-N 3.48Å; T31-L34 WeakPolarHBondContact O-CB 3.16Å; T31-L34 PolarHBondContact O-N 3.47Å; T31-L34 VanDerWaalsContact O-N 3.13Å; T31-Y35 HydrophobicContact CG2-CD2 3.68Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.24Å; T31-Y35 PolarHBondContact O-N 2.95Å; T31-T45 HydrophobicContact CG2-CG2 3.55Å; T31-D67 WeakPolarHBondContact CB-OD1 3.25Å; T31-D67 VanDerWaalsContact CG2-CG 3.42Å; T31-D67 WeakPolarHBondContact CG2-OD1 3.46Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.27Å; T31-D67 PolarHBondContact OG1-OD1 2.8Å
32	T	87.8	Confident	79.1	Confident	35 Å²	35	39 Å²	39	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-43	178.7	-47.5	0	0	0	0	111.4	G29 K30 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 2.7Å; K30-T32 PolarHBondContact O-N 2.97Å; T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.28Å; T32-K36 PolarHBondContact O-N 3.3Å; T32-A160 HydrophobicContact CG2-CB 3.74Å; T32-T161 HydrophobicContact CG2-CG2 4.09Å
33	I	89.3	Confident	76.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-48.5	175	-67.2	172.9	0	0	0	110.5	M22 G29 K30 T31 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CB 4.41Å; M22-I33 HydrophobicContact CE-CG2 4.34Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.02Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å; K30-I33 PolarHBondContact O-N 3.31Å; T31-I33 VanDerWaalsContact C-N 3.3Å; T31-I33 PolarHBondContact O-N 3.48Å; I33-Y35 PolarHBondContact O-N 2.98Å; I33-K36 PolarHBondContact O-N 3.44Å; I33-L37 HydrophobicContact CG2-CD1 3.66Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 2.94Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 4Å; I33-F124 HydrophobicContact CD1-CD2 3.9Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.46Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.51Å; I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.85Å; I33-L166 HydrophobicContact CG2-CD1 4.41Å; I33-L166 HydrophobicContact CG2-CD2 4.1Å
34	L	82.9	Confident	74	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.3	-53.7	178.1	166.9	65.5	0	0	0	112.1	M22 K30 T31 K36 L37 K38 E54 V56 V65 D67	M22-L34 HydrophobicContact CE-CB 4.35Å; K30-L34 PolarHBondContact O-N 3.17Å; T31-L34 WeakPolarHBondContact O-CB 3.16Å; T31-L34 PolarHBondContact O-N 3.47Å; T31-L34 VanDerWaalsContact O-N 3.13Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.47Å; L34-K38 PolarHBondContact O-N 2.86Å; L34-E54 HydrophobicContact CD1-CB 4.01Å; L34-E54 HydrophobicContact CD2-CB 3.8Å; L34-E54 HydrophobicContact CD2-CG 4.17Å; L34-V56 HydrophobicContact CD1-CG2 3.25Å; L34-V65 HydrophobicContact CB-CB 4.27Å; L34-V65 HydrophobicContact CB-CG1 3.95Å; L34-V65 HydrophobicContact CB-CG2 4.09Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 4.33Å; L34-V65 HydrophobicContact CD1-CG2 3.48Å; L34-V65 VanDerWaalsContact CD1-CG2 3.48Å; L34-V65 HydrophobicContact CD2-CB 3.97Å; L34-V65 HydrophobicContact CD2-CG1 3.84Å; L34-V65 HydrophobicContact CG-CB 4.18Å; L34-V65 HydrophobicContact CG-CG1 4.24Å; L34-V65 HydrophobicContact CG-CG2 4.21Å; L34-D67 HydrophobicContact CD2-CB 4.12Å
35	Y	77.5	Confident	71.5	Confident	61 Å²	61	50.7 Å²	50.7	24%	0.239	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-39.6	-178.6	-83.2	-84	0	0	0	112	T31 I33 L37 K38 L39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.68Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.24Å; T31-Y35 PolarHBondContact O-N 2.95Å; I33-Y35 PolarHBondContact O-N 2.98Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; Y35-K38 PolarHBondContact O-N 3.07Å; Y35-L39 HydrophobicContact CD1-CD1 3.72Å; Y35-L39 HydrophobicContact CD1-CG 4.46Å; Y35-L39 HydrophobicContact CE1-CD1 4.35Å; Y35-L39 PolarHBondContact O-N 3.37Å; Y35-V43 HydrophobicContact CD1-CB 4.27Å; Y35-V43 HydrophobicContact CD1-CG2 4.38Å; Y35-T45 HydrophobicContact CD2-CG2 3.85Å; Y35-T45 HydrophobicContact CE2-CG2 4.09Å
36	K	83.8	Confident	68.9	Low	32 Å²	32	57.4 Å²	57.4	14%	0.139	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-42.2	176.3	-168.7	72.3	177.3	-167	0	111.4	T32 I33 L34 G40 I42 T161 Q162 L166	T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.28Å; T32-K36 PolarHBondContact O-N 3.3Å; I33-K36 PolarHBondContact O-N 3.44Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; K36-G40 WeakPolarHBondContact O-CA 3.33Å; K36-G40 PolarHBondContact O-N 3.06Å; K36-I42 HydrophobicContact CD-CG1 4.42Å; K36-T161 PolarHBondContact NZ-O 2.85Å; K36-Q162 WeakPolarHBondContact CE-O 3.12Å; K36-Q162 PolarHBondContact NZ-O 2.77Å; K36-L166 HydrophobicContact CB-CD1 4.18Å; K36-L166 HydrophobicContact CG-CD1 3.95Å
37	L	78.4	Confident	66.5	Low	25 Å²	25	60.9 Å²	60.9	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-75	-32.9	178.8	-65.9	169.3	0	0	0	112.9	I33 L34 Y35 V56 F63 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.66Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 3.35Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; L37-V56 HydrophobicContact CB-CG1 4.17Å; L37-F63 HydrophobicContact CB-CZ 4.38Å; L37-F63 HydrophobicContact CD1-CE2 4.1Å; L37-F63 HydrophobicContact CD1-CZ 3.62Å; L37-L166 HydrophobicContact CD2-CB 4.35Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; L37-Y167 HydrophobicContact CD2-CD1 4.48Å; L37-Y167 HydrophobicContact CD2-CE1 4.02Å; L37-L170 HydrophobicContact CD1-CD1 3.72Å; L37-L170 HydrophobicContact CD2-CD1 3.65Å; L37-L170 HydrophobicContact CG-CD1 4.35Å
38	K	68.4	Low	64.4	Low	104 Å²	104	61 Å²	61	45%	0.452	34%	0.343	S	S	.	.	H	α-helix	trans	-79.3	-40.6	-177.2	-168.6	179.6	-173.9	-176.9	0	113.5	L34 Y35 E54 V56	L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.47Å; L34-K38 PolarHBondContact O-N 2.86Å; Y35-K38 PolarHBondContact O-N 3.07Å; K38-E54 IonicContact NZ-OE2 2.87Å; K38-E54 PolarHBondContact NZ-OE2 3.43Å; K38-V56 HydrophobicContact CB-CG2 4.07Å; K38-V56 HydrophobicContact CG-CG2 4.36Å
39	L	64.4	Low	61.5	Low	92 Å²	92	69.4 Å²	69.4	48%	0.482	39%	0.385	S	S	.	.	H	α-helix	trans	-110.8	-13.7	-169	-59.5	-179.8	0	0	0	113.6	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.72Å; Y35-L39 HydrophobicContact CD1-CG 4.46Å; Y35-L39 HydrophobicContact CE1-CD1 4.35Å; Y35-L39 PolarHBondContact O-N 3.37Å; L39-E41 PolarHBondContact O-N 2.79Å; L39-E41 VanDerWaalsContact O-N 3.11Å; L39-V43 HydrophobicContact CD1-CG2 3.61Å
40	G	54.8	Low	59.3	Low	52 Å²	52	71.2 Å²	71.2	54%	0.536	40%	0.404	S	S	.	.	S	Bend	trans	68.7	-1.3	-171.7	0	0	0	0	0	114.1	K36	K36-G40 WeakPolarHBondContact O-CA 3.33Å; K36-G40 PolarHBondContact O-N 3.06Å
41	E	39.5	Very low	57.3	Low	143 Å²	143	76.1 Å²	76.1	67%	0.668	43%	0.426	S	S	*	.	S	Bend	trans	-126.3	157.8	-176.2	-66.1	-168.8	167.4	0	0	112.3	L39 V43	L39-E41 PolarHBondContact O-N 2.79Å; L39-E41 VanDerWaalsContact O-N 3.11Å; E41-V43 PolarHBondContact O-N 3.4Å
42	I	38.8	Very low	55.8	Low	106 Å²	106	77.3 Å²	77.3	54%	0.544	43%	0.431	S	S	.	.			trans	-84	105.6	178.1	-55.8	174	0	0	0	108.3	K36 T161	K36-I42 HydrophobicContact CD-CG1 4.42Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.45Å
43	V	36	Very low	54.3	Low	60 Å²	60	78.7 Å²	78.7	36%	0.364	44%	0.439	S	S	.	.			trans	-96.6	120.5	167.1	-175	0	0	0	0	108.3	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD1-CB 4.27Å; Y35-V43 HydrophobicContact CD1-CG2 4.38Å; L39-V43 HydrophobicContact CD1-CG2 3.61Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-T45 PolarHBondContact O-N 2.97Å
44	T	35.5	Very low	52.9	Low	132 Å²	132	79.7 Å²	79.7	81%	0.81	44%	0.444	S	S	*	.			trans	-64	113.3	168.7	37.1	0	0	0	0	109.2
45	T	40.2	Very low	51.9	Low	56 Å²	56	83.3 Å²	83.3	34%	0.344	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-86.3	135.5	-176.5	56.8	0	0	0	0	110.8	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.55Å; Y35-T45 HydrophobicContact CD2-CG2 3.85Å; Y35-T45 HydrophobicContact CE2-CG2 4.09Å; V43-T45 PolarHBondContact O-N 2.97Å
46	I	36.8	Very low	51.3	Low	148 Å²	148	80.7 Å²	80.7	76%	0.759	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-86.8	138.8	165.7	-60.6	172.8	0	0	0	107.1	T48	I46-T48 PolarHBondContact O-N 3.4Å; I46-T48 VanDerWaalsContact O-N 3.17Å
47	P	35.8	Very low	50.4	Low	117 Å²	117	85.1 Å²	85.1	76%	0.76	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-53.7	122.6	177.1	-23.1	32	0	0	0	111.3	I49	P47-I49 PolarHBondContact O-N 3.03Å
48	T	45.4	Very low	49.9	Very low	68 Å²	68	85.8 Å²	85.8	42%	0.417	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-72.3	127.7	-175.8	-25.9	0	0	0	0	110.7	I46 V68	I46-T48 PolarHBondContact O-N 3.4Å; I46-T48 VanDerWaalsContact O-N 3.17Å; T48-V68 HydrophobicContact CG2-CG2 4.31Å
49	I	33.2	Very low	49.9	Very low	177 Å²	177	86.1 Å²	86.1	91%	0.908	48%	0.48	S	S	*	.	S	Bend	trans	-90.4	105.6	164.2	-59.3	174.4	0	0	0	106.6	P47	P47-I49 PolarHBondContact O-N 3.03Å
50	G	44.3	Very low	49.6	Very low	49 Å²	49	84.5 Å²	84.5	51%	0.505	47%	0.472	S	S	.	.	S	Bend	trans	138.2	-158.3	176.7	0	0	0	0	0	115.1	V68	G50-V68 VanDerWaalsContact O-CB 3.32Å; G50-V68 WeakPolarHBondContact O-CB 3.39Å; G50-V68 WeakPolarHBondContact O-CG1 3.3Å; G50-V68 WeakPolarHBondContact O-CG2 3.18Å
51	F	47.5	Very low	49.8	Very low	114 Å²	114	82.1 Å²	82.1	50%	0.5	45%	0.447	S	S	.	.			trans	-126.4	112.1	-178.6	-177.8	-101.6	0	0	0	107.7	V53 W66 L77 Y81	F51-V53 HydrophobicContact CD1-CG2 4.26Å; F51-V53 HydrophobicContact CE1-CG2 4.12Å; F51-W66 HydrophobicContact CD1-CH2 4.22Å; F51-W66 AromaticContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CE3 4.48Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 AromaticContact CE1-CH2 3.35Å; F51-W66 HydrophobicContact CE1-CH2 3.35Å; F51-W66 AromaticContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 AromaticContact CE2-CH2 3.98Å; F51-W66 HydrophobicContact CE2-CH2 3.98Å; F51-W66 AromaticContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CG-CZ3 4.09Å; F51-W66 HydrophobicContact CZ-CE3 4.16Å; F51-W66 AromaticContact CZ-CH2 3.26Å; F51-W66 HydrophobicContact CZ-CH2 3.26Å; F51-W66 AromaticContact CZ-CZ3 3Å; F51-W66 HydrophobicContact CZ-CZ3 3Å; F51-L77 HydrophobicContact CD2-CD1 4.47Å; F51-L77 HydrophobicContact CE2-CD1 4.24Å; F51-Y81 HydrophobicContact CZ-CE2 4.1Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.21Å
52	N	51.1	Low	50.7	Low	52 Å²	52	76.5 Å²	76.5	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	-176.2	-169.6	39.5	0	0	0	111.3	E54 D67	N52-E54 WeakPolarHBondContact ND2-CG 3.38Å; N52-E54 PolarHBondContact ND2-OE1 2.83Å; N52-D67 WeakPolarHBondContact CB-O 3.22Å; N52-D67 CarbonylContact O-C 3.59Å; N52-D67 PolarHBondContact O-N 3.4Å
53	V	55.8	Low	51.6	Low	64 Å²	64	71.5 Å²	71.5	39%	0.388	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.1	-176.6	-166	0	0	0	0	107.1	F51 T64 W66	F51-V53 HydrophobicContact CD1-CG2 4.26Å; F51-V53 HydrophobicContact CE1-CG2 4.12Å; V53-T64 HydrophobicContact CG1-CG2 3.24Å; V53-W66 HydrophobicContact CB-CH2 4.05Å; V53-W66 HydrophobicContact CB-CZ2 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CH2 3.98Å; V53-W66 HydrophobicContact CG1-CZ2 3.48Å; V53-W66 VanDerWaalsContact CG1-CZ2 3.48Å; V53-W66 HydrophobicContact CG2-CE3 4.14Å; V53-W66 HydrophobicContact CG2-CH2 2.97Å; V53-W66 HydrophobicContact CG2-CZ2 3.45Å; V53-W66 VanDerWaalsContact CG2-CZ2 3.45Å; V53-W66 HydrophobicContact CG2-CZ3 3.34Å
54	E	61.4	Low	52.6	Low	22 Å²	22	70.3 Å²	70.3	10%	0.103	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.5	-179.5	-65.6	-161.1	-154.1	0	0	111.3	L34 K38 N52 T64 V65	L34-E54 HydrophobicContact CD1-CB 4.01Å; L34-E54 HydrophobicContact CD2-CB 3.8Å; L34-E54 HydrophobicContact CD2-CG 4.17Å; K38-E54 IonicContact NZ-OE2 2.87Å; K38-E54 PolarHBondContact NZ-OE2 3.43Å; N52-E54 WeakPolarHBondContact ND2-CG 3.38Å; N52-E54 PolarHBondContact ND2-OE1 2.83Å; E54-T64 CarbonylContact O-C 3.56Å; E54-T64 WeakPolarHBondContact O-CA 3.33Å; E54-V65 PolarHBondContact N-O 3.26Å; E54-V65 PolarHBondContact O-N 3.44Å
55	T	60.4	Low	53.7	Low	76 Å²	76	64 Å²	64	47%	0.466	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.1	178.1	-59.4	0	0	0	0	109.8	C62 F63	T55-C62 WeakPolarHBondContact CG2-SG 3.49Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 2.98Å
56	V	65.4	Low	54.7	Low	6 Å²	6	62.3 Å²	62.3	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.9	175.6	177.3	0	0	0	0	109.9	L34 L37 K38 C62 F63	L34-V56 HydrophobicContact CD1-CG2 3.25Å; L37-V56 HydrophobicContact CB-CG1 4.17Å; K38-V56 HydrophobicContact CB-CG2 4.07Å; K38-V56 HydrophobicContact CG-CG2 4.36Å; V56-C62 CarbonylContact O-C 3.58Å; V56-F63 HydrophobicContact CB-CD1 4.46Å; V56-F63 HydrophobicContact CB-CD2 4.29Å; V56-F63 HydrophobicContact CB-CE1 3.9Å; V56-F63 HydrophobicContact CB-CE2 3.71Å; V56-F63 HydrophobicContact CB-CZ 3.47Å; V56-F63 VanDerWaalsContact CB-CZ 3.47Å; V56-F63 HydrophobicContact CG1-CE1 3.75Å; V56-F63 HydrophobicContact CG1-CE2 4.15Å; V56-F63 HydrophobicContact CG1-CZ 3.41Å; V56-F63 VanDerWaalsContact CG1-CZ 3.41Å; V56-F63 HydrophobicContact CG2-CE2 4.33Å; V56-F63 HydrophobicContact CG2-CZ 4.38Å; V56-F63 PolarHBondContact N-O 2.91Å; V56-F63 WeakPolarHBondContact O-CD1 3.29Å; V56-F63 PolarHBondContact O-N 3.4Å
57	E	65.5	Low	55.6	Low	125 Å²	125	55.6 Å²	55.6	58%	0.584	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.7	173	-66.9	-168	-168.1	0	0	110.6	K15 I61 C62	K15-E57 IonicContact NZ-OE2 3.28Å; K15-E57 PolarHBondContact NZ-OE2 3.18Å; E57-I61 CarbonylContact C-O 3.59Å; E57-I61 WeakPolarHBondContact CA-O 3.44Å; E57-C62 HydrophobicContact CG-CB 4.44Å
58	Y	67.3	Low	56.2	Low	38 Å²	38	51.7 Å²	51.7	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.1	169.8	179.9	-106.1	0	0	0	109.7	N60 I61 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 2.7Å; Y58-I61 PolarHBondContact N-O 3.2Å; Y58-I61 WeakPolarHBondContact O-CA 3.35Å; Y58-I61 VanDerWaalsContact O-CB 3.3Å; Y58-I61 WeakPolarHBondContact O-CB 3.45Å; Y58-I61 PolarHBondContact O-N 3.11Å; Y58-Y167 HydrophobicContact CD2-CD1 4.24Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.42Å; Y58-Y167 HydrophobicContact CE2-CD1 3.42Å; Y58-Y167 VanDerWaalsContact CE2-CD1 3.42Å; Y58-Y167 AromaticContact CE2-CE1 3.73Å; Y58-Y167 HydrophobicContact CE2-CE1 3.73Å; Y58-Y167 AromaticContact CZ-CD1 3.78Å; Y58-L170 HydrophobicContact CD1-CB 3.78Å; Y58-L170 HydrophobicContact CD1-CD1 4.18Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.26Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.41Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.27Å; Y58-D171 PolarHBondContact OH-OD1 2.82Å
59	K	68.6	Low	56.5	Low	111 Å²	111	49 Å²	49	48%	0.483	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-117.7	-172.2	-62.8	179.2	173.5	173.3	0	111.7	D171	K59-D171 VanDerWaalsContact CE-OD1 3.32Å; K59-D171 WeakPolarHBondContact CE-OD1 3.1Å; K59-D171 IonicContact NZ-OD1 3.14Å; K59-D171 PolarHBondContact NZ-OD1 2.87Å; K59-D171 IonicContact NZ-OD2 3.88Å; K59-D171 PolarHBondContact NZ-OD2 2.8Å
60	N	58.7	Low	57.5	Low	58 Å²	58	40.6 Å²	40.6	31%	0.31	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.4	176	59.3	-55.8	0	0	0	112.9	Y58 S174	Y58-N60 PolarHBondContact O-N 2.7Å; N60-S174 PolarHBondContact OD1-OG 3.11Å
61	I	58.6	Low	58.3	Low	3 Å²	3	44 Å²	44	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.8	176.5	-59.6	168.3	0	0	0	109.8	I20 E57 Y58 F63	I20-I61 HydrophobicContact CD1-CD1 4.27Å; I20-I61 HydrophobicContact CD1-CG2 3.27Å; I20-I61 HydrophobicContact CG1-CG2 4.1Å; E57-I61 CarbonylContact C-O 3.59Å; E57-I61 WeakPolarHBondContact CA-O 3.44Å; Y58-I61 PolarHBondContact N-O 3.2Å; Y58-I61 WeakPolarHBondContact O-CA 3.35Å; Y58-I61 VanDerWaalsContact O-CB 3.3Å; Y58-I61 WeakPolarHBondContact O-CB 3.45Å; Y58-I61 PolarHBondContact O-N 3.11Å; I61-F63 HydrophobicContact CG2-CB 4.09Å; I61-F63 HydrophobicContact CG2-CD1 3.88Å; I61-F63 HydrophobicContact CG2-CG 4.49Å
62	C	57.7	Low	59.1	Low	24 Å²	24	43.5 Å²	43.5	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	98.4	168.2	-175.4	0	0	0	0	107.8	T55 V56 E57	T55-C62 WeakPolarHBondContact CG2-SG 3.49Å; V56-C62 CarbonylContact O-C 3.58Å; E57-C62 HydrophobicContact CG-CB 4.44Å
63	F	59.3	Low	60	Low	2 Å²	2	50.3 Å²	50.3	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.1	-173.7	60.1	-87.2	0	0	0	111.9	I20 L37 T55 V56 I61 V65	I20-F63 HydrophobicContact CB-CB 3.54Å; I20-F63 HydrophobicContact CD1-CB 4.24Å; I20-F63 HydrophobicContact CG1-CB 4.22Å; I20-F63 HydrophobicContact CG2-CB 4.03Å; L37-F63 HydrophobicContact CB-CZ 4.38Å; L37-F63 HydrophobicContact CD1-CE2 4.1Å; L37-F63 HydrophobicContact CD1-CZ 3.62Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 2.98Å; V56-F63 HydrophobicContact CB-CD1 4.46Å; V56-F63 HydrophobicContact CB-CD2 4.29Å; V56-F63 HydrophobicContact CB-CE1 3.9Å; V56-F63 HydrophobicContact CB-CE2 3.71Å; V56-F63 HydrophobicContact CB-CZ 3.47Å; V56-F63 VanDerWaalsContact CB-CZ 3.47Å; V56-F63 HydrophobicContact CG1-CE1 3.75Å; V56-F63 HydrophobicContact CG1-CE2 4.15Å; V56-F63 HydrophobicContact CG1-CZ 3.41Å; V56-F63 VanDerWaalsContact CG1-CZ 3.41Å; V56-F63 HydrophobicContact CG2-CE2 4.33Å; V56-F63 HydrophobicContact CG2-CZ 4.38Å; V56-F63 PolarHBondContact N-O 2.91Å; V56-F63 WeakPolarHBondContact O-CD1 3.29Å; V56-F63 PolarHBondContact O-N 3.4Å; I61-F63 HydrophobicContact CG2-CB 4.09Å; I61-F63 HydrophobicContact CG2-CD1 3.88Å; I61-F63 HydrophobicContact CG2-CG 4.49Å; F63-V65 HydrophobicContact CD2-CG2 3.71Å; F63-V65 HydrophobicContact CE2-CG2 3.72Å
64	T	56	Low	60.9	Low	35 Å²	35	49.7 Å²	49.7	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.2	178.5	-58.5	0	0	0	0	108.7	I20 V53 E54	I20-T64 PolarHBondContact O-N 2.9Å; I20-T64 VanDerWaalsContact O-N 3.12Å; I20-T64 VanDerWaalsContact O-O 3.07Å; V53-T64 HydrophobicContact CG1-CG2 3.24Å; E54-T64 CarbonylContact O-C 3.56Å; E54-T64 WeakPolarHBondContact O-CA 3.33Å
65	V	58.7	Low	61.6	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.4	173.5	-179.3	0	0	0	0	109.6	M22 L34 E54 F63 D67	M22-V65 HydrophobicContact CE-CB 3.99Å; M22-V65 HydrophobicContact CE-CG1 3.21Å; M22-V65 HydrophobicContact CE-CG2 3.6Å; L34-V65 HydrophobicContact CB-CB 4.27Å; L34-V65 HydrophobicContact CB-CG1 3.95Å; L34-V65 HydrophobicContact CB-CG2 4.09Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 4.33Å; L34-V65 HydrophobicContact CD1-CG2 3.48Å; L34-V65 VanDerWaalsContact CD1-CG2 3.48Å; L34-V65 HydrophobicContact CD2-CB 3.97Å; L34-V65 HydrophobicContact CD2-CG1 3.84Å; L34-V65 HydrophobicContact CG-CB 4.18Å; L34-V65 HydrophobicContact CG-CG1 4.24Å; L34-V65 HydrophobicContact CG-CG2 4.21Å; E54-V65 PolarHBondContact N-O 3.26Å; E54-V65 PolarHBondContact O-N 3.44Å; F63-V65 HydrophobicContact CD2-CG2 3.71Å; F63-V65 HydrophobicContact CE2-CG2 3.72Å; V65-D67 HydrophobicContact CG1-CB 4.4Å; V65-D67 PolarHBondContact O-N 2.86Å
66	W	60.9	Low	62.7	Low	20 Å²	20	48.8 Å²	48.8	8%	0.076	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	87.5	168.8	-77.8	83.6	0	0	0	108.4	L21 F51 V53 V68 Y81	L21-W66 HydrophobicContact CD1-CG 4.06Å; F51-W66 HydrophobicContact CD1-CH2 4.22Å; F51-W66 AromaticContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CE3 4.48Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 AromaticContact CE1-CH2 3.35Å; F51-W66 HydrophobicContact CE1-CH2 3.35Å; F51-W66 AromaticContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 AromaticContact CE2-CH2 3.98Å; F51-W66 HydrophobicContact CE2-CH2 3.98Å; F51-W66 AromaticContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CG-CZ3 4.09Å; F51-W66 HydrophobicContact CZ-CE3 4.16Å; F51-W66 AromaticContact CZ-CH2 3.26Å; F51-W66 HydrophobicContact CZ-CH2 3.26Å; F51-W66 AromaticContact CZ-CZ3 3Å; F51-W66 HydrophobicContact CZ-CZ3 3Å; V53-W66 HydrophobicContact CB-CH2 4.05Å; V53-W66 HydrophobicContact CB-CZ2 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CH2 3.98Å; V53-W66 HydrophobicContact CG1-CZ2 3.48Å; V53-W66 VanDerWaalsContact CG1-CZ2 3.48Å; V53-W66 HydrophobicContact CG2-CE3 4.14Å; V53-W66 HydrophobicContact CG2-CH2 2.97Å; V53-W66 HydrophobicContact CG2-CZ2 3.45Å; V53-W66 VanDerWaalsContact CG2-CZ2 3.45Å; V53-W66 HydrophobicContact CG2-CZ3 3.34Å; W66-V68 VanDerWaalsContact C-N 3.25Å; W66-V68 PolarHBondContact O-N 3.26Å; W66-Y81 AromaticContact CD2-CD2 3.9Å; W66-Y81 HydrophobicContact CD2-CD2 3.9Å; W66-Y81 AromaticContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CG 4.25Å; W66-Y81 AromaticContact CE2-CD1 3.5Å; W66-Y81 AromaticContact CE2-CD2 3.56Å; W66-Y81 AromaticContact CE2-CE1 3.6Å; W66-Y81 AromaticContact CE2-CE2 3.6Å; W66-Y81 AromaticContact CE2-CG 3.52Å; W66-Y81 AromaticContact CE2-CZ 3.65Å; W66-Y81 HydrophobicContact CE3-CD2 4.34Å; W66-Y81 AromaticContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CH2-CD1 4.22Å; W66-Y81 HydrophobicContact CH2-CD2 4.15Å; W66-Y81 AromaticContact CH2-CE1 3.46Å; W66-Y81 HydrophobicContact CH2-CE1 3.46Å; W66-Y81 VanDerWaalsContact CH2-CE1 3.46Å; W66-Y81 AromaticContact CH2-CE2 3.31Å; W66-Y81 HydrophobicContact CH2-CE2 3.31Å; W66-Y81 AromaticContact CH2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CH2-OH 3.1Å; W66-Y81 AromaticContact CZ2-CD1 3.31Å; W66-Y81 HydrophobicContact CZ2-CD1 3.31Å; W66-Y81 AromaticContact CZ2-CD2 3.76Å; W66-Y81 HydrophobicContact CZ2-CD2 3.76Å; W66-Y81 AromaticContact CZ2-CE1 2.9Å; W66-Y81 HydrophobicContact CZ2-CE1 2.9Å; W66-Y81 AromaticContact CZ2-CE2 3.35Å; W66-Y81 HydrophobicContact CZ2-CE2 3.35Å; W66-Y81 AromaticContact CZ2-CG 3.76Å; W66-Y81 HydrophobicContact CZ2-CG 3.76Å; W66-Y81 AromaticContact CZ2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CZ2-OH 3.12Å; W66-Y81 HydrophobicContact CZ3-CD2 4.45Å; W66-Y81 AromaticContact CZ3-CE2 3.67Å; W66-Y81 HydrophobicContact CZ3-CE2 3.67Å; W66-Y81 AromaticContact CZ3-CZ 3.78Å; W66-Y81 AromaticContact NE1-CD1 3.55Å; W66-Y81 AromaticContact NE1-CD2 3.91Å; W66-Y81 AromaticContact NE1-CG 3.48Å
67	D	56	Low	63.1	Low	7 Å²	7	51.9 Å²	51.9	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	73.9	168.8	-170.3	41.7	0	0	0	108.5	T31 L34 N52 V65	T31-D67 WeakPolarHBondContact CB-OD1 3.25Å; T31-D67 VanDerWaalsContact CG2-CG 3.42Å; T31-D67 WeakPolarHBondContact CG2-OD1 3.46Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.27Å; T31-D67 PolarHBondContact OG1-OD1 2.8Å; L34-D67 HydrophobicContact CD2-CB 4.12Å; N52-D67 WeakPolarHBondContact CB-O 3.22Å; N52-D67 CarbonylContact O-C 3.59Å; N52-D67 PolarHBondContact O-N 3.4Å; V65-D67 HydrophobicContact CG1-CB 4.4Å; V65-D67 PolarHBondContact O-N 2.86Å
68	V	48.5	Very low	64	Low	34 Å²	34	46.8 Å²	46.8	21%	0.206	23%	0.234	C	C	.	.	S	Bend	trans	-165.9	125.1	135.2	172.1	0	0	0	0	108.2	T48 G50 W66 I74	T48-V68 HydrophobicContact CG2-CG2 4.31Å; G50-V68 VanDerWaalsContact O-CB 3.32Å; G50-V68 WeakPolarHBondContact O-CB 3.39Å; G50-V68 WeakPolarHBondContact O-CG1 3.3Å; G50-V68 WeakPolarHBondContact O-CG2 3.18Å; W66-V68 VanDerWaalsContact C-N 3.25Å; W66-V68 PolarHBondContact O-N 3.26Å; V68-I74 HydrophobicContact CG1-CD1 3.87Å
69	G	51.2	Low	64.7	Low	13 Å²	13	51.8 Å²	51.8	13%	0.134	25%	0.253	C	S	.	.			trans	105.4	77.3	141.1	0	0	0	0	0	118.7	W78	G69-W78 PolarHBondContact O-NE1 2.96Å
70	G	54.2	Low	65.3	Low	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.			trans	-87.7	13.3	156.8	0	0	0	0	0	113.4	G24 D26 R75	G24-G70 WeakPolarHBondContact O-CA 3.43Å; D26-G70 VanDerWaalsContact N-CA 3.3Å; D26-G70 VanDerWaalsContact OD1-O 3.09Å; G70-R75 VanDerWaalsContact O-CZ 3.25Å; G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 2.64Å
71	Q	60.8	Low	66.4	Low	121 Å²	121	52.4 Å²	52.4	57%	0.565	25%	0.253	S	S	*	.	S	Bend	trans	-74.4	140.4	169	-63.3	-178.8	9	0	0	109.5	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.05Å; Q71-K73 PolarHBondContact O-N 3.41Å; Q71-I74 HydrophobicContact CB-CD1 4.2Å; Q71-I74 HydrophobicContact CB-CG1 4.14Å; Q71-I74 WeakPolarHBondContact O-CG1 3.47Å; Q71-I74 PolarHBondContact O-N 2.87Å; Q71-R75 PolarHBondContact O-N 3.12Å
72	D	66.1	Low	67.8	Low	103 Å²	103	52.6 Å²	52.6	55%	0.551	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-42	-171.1	-57	-9.4	0	0	0	114.2	I74 R75	D72-I74 PolarHBondContact O-N 2.73Å; D72-I74 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-CZ 2.64Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 3.86Å; D72-R75 PolarHBondContact OD1-NH1 3.23Å; D72-R75 IonicContact OD1-NH2 3.07Å; D72-R75 PolarHBondContact OD1-NH2 3.24Å
73	K	69.8	Low	69.1	Low	195 Å²	195	57.2 Å²	57.2	85%	0.848	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.5	-173.6	-65.5	-176.5	178.4	177.7	0	114.5	Q71	Q71-K73 PolarHBondContact O-N 3.41Å
74	I	73.1	Confident	70.4	Confident	51 Å²	51	63.1 Å²	63.1	26%	0.262	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-10	-171.3	52.2	-173	0	0	0	114	V68 Q71 D72 P76 L77	V68-I74 HydrophobicContact CG1-CD1 3.87Å; Q71-I74 HydrophobicContact CB-CD1 4.2Å; Q71-I74 HydrophobicContact CB-CG1 4.14Å; Q71-I74 WeakPolarHBondContact O-CG1 3.47Å; Q71-I74 PolarHBondContact O-N 2.87Å; D72-I74 PolarHBondContact O-N 2.73Å; D72-I74 VanDerWaalsContact O-N 3.16Å; I74-P76 VanDerWaalsContact C-N 3.28Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.16Å
75	R	77.4	Confident	72	Confident	19 Å²	19	61.9 Å²	61.9	7%	0.072	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-52.7	-35.7	169.7	-56.3	-175.4	-172.3	151.2	7	114.1	G70 Q71 D72 L77 W78 E102 E106	G70-R75 VanDerWaalsContact O-CZ 3.25Å; G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 2.64Å; Q71-R75 PolarHBondContact O-N 3.12Å; D72-R75 IonicContact OD1-CZ 2.64Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 3.86Å; D72-R75 PolarHBondContact OD1-NH1 3.23Å; D72-R75 IonicContact OD1-NH2 3.07Å; D72-R75 PolarHBondContact OD1-NH2 3.24Å; R75-L77 PolarHBondContact O-N 3.44Å; R75-W78 HydrophobicContact CB-CD2 4.29Å; R75-W78 HydrophobicContact CB-CE3 4.36Å; R75-W78 HydrophobicContact CB-CH2 4.37Å; R75-W78 HydrophobicContact CB-CZ2 4.29Å; R75-W78 HydrophobicContact CB-CZ3 4.39Å; R75-W78 HydrophobicContact CG-CH2 3.92Å; R75-W78 HydrophobicContact CG-CZ2 3.84Å; R75-W78 HydrophobicContact CG-CZ3 4.38Å; R75-W78 WeakPolarHBondContact O-CB 3.11Å; R75-W78 PolarHBondContact O-N 3.27Å; R75-E102 IonicContact CZ-OE1 3.37Å; R75-E102 IonicContact NH1-OE1 2.82Å; R75-E102 PolarHBondContact NH1-OE1 3.27Å; R75-E102 IonicContact NH2-OE1 3.14Å; R75-E102 PolarHBondContact NH2-OE1 2.76Å; R75-E106 WeakPolarHBondContact CD-OE2 3.48Å; R75-E106 IonicContact NH1-OE1 3.83Å
76	P	82.1	Confident	73.5	Confident	60 Å²	60	65 Å²	65	39%	0.39	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-51	-26.9	173.6	-35.4	41.3	0	0	0	115.3	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.28Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.02Å; P76-R79 WeakPolarHBondContact O-CG 3.4Å; P76-R79 PolarHBondContact O-NE 3.31Å
77	L	75.7	Confident	75	Confident	71 Å²	71	64 Å²	64	37%	0.372	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.1	-178.5	-61.3	176.1	0	0	0	113.3	F51 I74 R75 R79 H80	F51-L77 HydrophobicContact CD2-CD1 4.47Å; F51-L77 HydrophobicContact CE2-CD1 4.24Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.16Å; R75-L77 PolarHBondContact O-N 3.44Å; L77-R79 PolarHBondContact O-N 3.41Å; L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.46Å
78	W	83.3	Confident	76.9	Confident	17 Å²	17	63.7 Å²	63.7	6%	0.064	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-57.5	-33.9	-179.9	-62	-8.7	0	0	0	112.1	V23 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.45Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; G69-W78 PolarHBondContact O-NE1 2.96Å; R75-W78 HydrophobicContact CB-CD2 4.29Å; R75-W78 HydrophobicContact CB-CE3 4.36Å; R75-W78 HydrophobicContact CB-CH2 4.37Å; R75-W78 HydrophobicContact CB-CZ2 4.29Å; R75-W78 HydrophobicContact CB-CZ3 4.39Å; R75-W78 HydrophobicContact CG-CH2 3.92Å; R75-W78 HydrophobicContact CG-CZ2 3.84Å; R75-W78 HydrophobicContact CG-CZ3 4.38Å; R75-W78 WeakPolarHBondContact O-CB 3.11Å; R75-W78 PolarHBondContact O-N 3.27Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.02Å; W78-H80 PolarHBondContact O-N 3.44Å; W78-H80 VanDerWaalsContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 2.93Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 3.98Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CE1 3.5Å; W78-E106 HydrophobicContact CZ3-CB 4.34Å; W78-M110 HydrophobicContact CE3-CE 4.44Å; W78-M110 HydrophobicContact CE3-CG 4.26Å; W78-M110 HydrophobicContact CE3-SD 3.49Å; W78-M110 HydrophobicContact CZ3-SD 3.71Å
79	R	83	Confident	79.1	Confident	144 Å²	144	62.1 Å²	62.1	54%	0.543	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.6	-30.1	-178.7	80.8	-176.7	87	-179.9	-0.7	114.2	P76 L77 Y81 F82	P76-R79 WeakPolarHBondContact O-CG 3.4Å; P76-R79 PolarHBondContact O-NE 3.31Å; L77-R79 PolarHBondContact O-N 3.41Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; R79-F82 VanDerWaalsContact CA-CE2 3.48Å; R79-F82 HydrophobicContact CB-CD2 4.13Å; R79-F82 HydrophobicContact CB-CE2 3.87Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.79Å
80	H	80.9	Confident	81.2	Confident	124 Å²	124	61.5 Å²	61.5	57%	0.574	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.8	-11.6	178.7	-63.2	-59.5	0	0	0	113	L77 W78	L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.46Å; W78-H80 PolarHBondContact O-N 3.44Å; W78-H80 VanDerWaalsContact O-N 3.14Å
81	Y	80.2	Confident	83.3	Confident	57 Å²	57	61.5 Å²	61.5	22%	0.224	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-110.7	-0.3	-177.8	-60.3	-66.3	0	0	0	114	F51 W66 W78 R79 Q83 T85	F51-Y81 HydrophobicContact CZ-CE2 4.1Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.21Å; W66-Y81 AromaticContact CD2-CD2 3.9Å; W66-Y81 HydrophobicContact CD2-CD2 3.9Å; W66-Y81 AromaticContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CG 4.25Å; W66-Y81 AromaticContact CE2-CD1 3.5Å; W66-Y81 AromaticContact CE2-CD2 3.56Å; W66-Y81 AromaticContact CE2-CE1 3.6Å; W66-Y81 AromaticContact CE2-CE2 3.6Å; W66-Y81 AromaticContact CE2-CG 3.52Å; W66-Y81 AromaticContact CE2-CZ 3.65Å; W66-Y81 HydrophobicContact CE3-CD2 4.34Å; W66-Y81 AromaticContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CH2-CD1 4.22Å; W66-Y81 HydrophobicContact CH2-CD2 4.15Å; W66-Y81 AromaticContact CH2-CE1 3.46Å; W66-Y81 HydrophobicContact CH2-CE1 3.46Å; W66-Y81 VanDerWaalsContact CH2-CE1 3.46Å; W66-Y81 AromaticContact CH2-CE2 3.31Å; W66-Y81 HydrophobicContact CH2-CE2 3.31Å; W66-Y81 AromaticContact CH2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CH2-OH 3.1Å; W66-Y81 AromaticContact CZ2-CD1 3.31Å; W66-Y81 HydrophobicContact CZ2-CD1 3.31Å; W66-Y81 AromaticContact CZ2-CD2 3.76Å; W66-Y81 HydrophobicContact CZ2-CD2 3.76Å; W66-Y81 AromaticContact CZ2-CE1 2.9Å; W66-Y81 HydrophobicContact CZ2-CE1 2.9Å; W66-Y81 AromaticContact CZ2-CE2 3.35Å; W66-Y81 HydrophobicContact CZ2-CE2 3.35Å; W66-Y81 AromaticContact CZ2-CG 3.76Å; W66-Y81 HydrophobicContact CZ2-CG 3.76Å; W66-Y81 AromaticContact CZ2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CZ2-OH 3.12Å; W66-Y81 HydrophobicContact CZ3-CD2 4.45Å; W66-Y81 AromaticContact CZ3-CE2 3.67Å; W66-Y81 HydrophobicContact CZ3-CE2 3.67Å; W66-Y81 AromaticContact CZ3-CZ 3.78Å; W66-Y81 AromaticContact NE1-CD1 3.55Å; W66-Y81 AromaticContact NE1-CD2 3.91Å; W66-Y81 AromaticContact NE1-CG 3.48Å; W78-Y81 PolarHBondContact O-N 2.93Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; Y81-Q83 VanDerWaalsContact C-N 3.35Å; Y81-T85 PolarHBondContact O-OG1 2.96Å
82	F	88.3	Confident	85.1	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.031	26%	0.264	C	S	.	.			trans	-70.5	-34.7	-178.8	-63.1	-10.3	0	0	0	112.1	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.68Å; L21-F82 HydrophobicContact CD2-CE1 3.82Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 3.98Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CE1 3.5Å; R79-F82 VanDerWaalsContact CA-CE2 3.48Å; R79-F82 HydrophobicContact CB-CD2 4.13Å; R79-F82 HydrophobicContact CB-CE2 3.87Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.79Å; F82-N84 PolarHBondContact O-N 2.76Å; F82-T85 VanDerWaalsContact O-CB 3.29Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 3.49Å; F82-M110 HydrophobicContact CD1-CE 4.48Å; F82-M110 HydrophobicContact CE1-CE 3.51Å; F82-M110 HydrophobicContact CZ-CE 3.87Å; F82-M110 HydrophobicContact CZ-CG 4.13Å; F82-E113 HydrophobicContact CD2-CB 3.91Å; F82-E113 HydrophobicContact CD2-CG 3.9Å; F82-E113 HydrophobicContact CE2-CB 4.13Å; F82-E113 HydrophobicContact CE2-CG 3.61Å; F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.46Å; F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.02Å; F82-L116 HydrophobicContact CB-CG 3.88Å; F82-L116 HydrophobicContact CD1-CD1 3.63Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.01Å; F82-L116 HydrophobicContact CD2-CD1 4.08Å; F82-L116 HydrophobicContact CD2-CG 4.24Å; F82-L116 HydrophobicContact CE1-CD1 3.82Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.2Å; F82-L116 HydrophobicContact CG-CG 3.78Å; F82-L116 HydrophobicContact CZ-CD1 4.13Å
83	Q	86.4	Confident	86.6	Confident	122 Å²	122	51.8 Å²	51.8	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	128.7	179	-71.7	-173.5	-12.8	0	0	112.2	Y81 T85 E115	Y81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-T85 PolarHBondContact O-N 2.71Å; Q83-E115 HydrophobicContact CG-CG 4.1Å
84	N	85	Confident	87.9	Confident	126 Å²	126	42.5 Å²	42.5	67%	0.674	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.7	-178.6	-53.5	-56.7	0	0	0	114.7	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.39Å; F82-N84 PolarHBondContact O-N 2.76Å; N84-Q86 PolarHBondContact O-N 3.4Å
85	T	89.6	Confident	89.1	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	20%	0.204	C	C	.	.			trans	-74.7	120.3	175.9	-74.5	0	0	0	0	110.3	L21 Y81 F82 Q83 G87 L116	L21-T85 HydrophobicContact CB-CG2 3.72Å; Y81-T85 PolarHBondContact O-OG1 2.96Å; F82-T85 VanDerWaalsContact O-CB 3.29Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 3.49Å; Q83-T85 PolarHBondContact O-N 2.71Å; T85-G87 WeakPolarHBondContact CG2-O 3.18Å; T85-L116 HydrophobicContact CG2-CD2 3.78Å
86	Q	91.6	Very high	90.1	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	21%	0.208	S	C	.	.			trans	-97.4	-28.2	-177.3	-62.5	170.6	-89.6	0	0	112.1	M18 R19 N84 A119 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.28Å; M18-Q86 VanDerWaalsContact SD-CD 3.6Å; M18-Q86 PolarHBondContact SD-NE2 3.28Å; R19-Q86 VanDerWaalsContact N-OE1 3.1Å; R19-Q86 PolarHBondContact O-N 2.91Å; N84-Q86 PolarHBondContact O-N 3.4Å; Q86-A119 WeakPolarHBondContact O-CA 2.93Å; Q86-V120 PolarHBondContact O-N 3.01Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.37Å
87	G	92.8	Very high	90.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.5	175.2	0	0	0	0	0	111.6	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 2.94Å; I20-G87 CarbonylContact C-O 3.56Å; I20-G87 WeakPolarHBondContact CA-O 3.32Å; I20-G87 WeakPolarHBondContact CG2-O 3.16Å; L21-G87 PolarHBondContact N-O 3.47Å; T85-G87 WeakPolarHBondContact CG2-O 3.18Å; G87-V120 CarbonylContact C-O 3.52Å; G87-V120 WeakPolarHBondContact CA-O 3.33Å
88	L	94.1	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.2	175.6	177.2	61.9	0	0	0	108.5	L21 V23 M110 L116 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.28Å; L21-L88 HydrophobicContact CD2-CD1 4.27Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.49Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; L88-M110 HydrophobicContact CD1-CE 3.74Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; L88-V120 PolarHBondContact N-O 3.48Å; L88-L121 HydrophobicContact CB-CD1 4.35Å; L88-L121 HydrophobicContact CD2-CD1 3.98Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.59Å; L88-L121 WeakPolarHBondContact O-CA 3.17Å; L88-L122 PolarHBondContact O-N 3.21Å
89	I	95.3	Very high	92.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114	169.9	-57.6	177.4	0	0	0	107.8	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.86Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; L21-I89 PolarHBondContact O-N 3.06Å; M22-I89 CarbonylContact C-O 3.57Å; M22-I89 VanDerWaalsContact CA-O 3.31Å; M22-I89 WeakPolarHBondContact CA-O 3.4Å; M22-I89 HydrophobicContact CB-CB 4.07Å; M22-I89 HydrophobicContact CG-CB 4Å; M22-I89 HydrophobicContact CG-CG2 3.91Å; M22-I89 HydrophobicContact SD-CG2 4.09Å; V23-I89 PolarHBondContact N-O 3.35Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.48Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.25Å; I89-F124 HydrophobicContact CD1-CE2 4.48Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.61Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; I89-L170 HydrophobicContact CD1-CD2 3.84Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.72Å
90	F	96.6	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.1	176.9	-163	-96.8	0	0	0	110	V23 V92 S103 L107 M110 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 WeakPolarHBondContact O-CA 3.3Å; F90-V92 HydrophobicContact CD1-CG2 3.56Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; F90-S103 VanDerWaalsContact CZ-O 3.3Å; F90-S103 WeakPolarHBondContact CZ-O 3.3Å; F90-L107 HydrophobicContact CB-CD1 4.18Å; F90-L107 HydrophobicContact CD1-CB 4.32Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.39Å; F90-L107 HydrophobicContact CD2-CD1 3.86Å; F90-L107 HydrophobicContact CE1-CB 3.94Å; F90-L107 HydrophobicContact CE2-CB 4.02Å; F90-L107 HydrophobicContact CE2-CD1 4.32Å; F90-L107 HydrophobicContact CG-CD1 3.86Å; F90-L107 HydrophobicContact CZ-CB 3.79Å; F90-M110 HydrophobicContact CD2-SD 4.45Å; F90-M110 HydrophobicContact CE2-SD 4.26Å; F90-L121 HydrophobicContact CB-CD1 4.05Å; F90-L122 PolarHBondContact N-O 3.18Å; F90-V123 HydrophobicContact CB-CG2 4.48Å; F90-V123 CarbonylContact O-C 3.5Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.35Å; F90-F124 PolarHBondContact O-N 3.21Å
91	V	96.9	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.5	-176.2	-170.4	0	0	0	0	109.8	M22 V23 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.77Å; M22-V91 HydrophobicContact SD-CG2 3.74Å; V23-V91 PolarHBondContact O-N 3.39Å; A28-V91 HydrophobicContact CB-CB 4.36Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.38Å; A28-V91 WeakPolarHBondContact O-CG1 3.47Å; K30-V91 HydrophobicContact CG-CB 3.89Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 4Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.31Å; V91-N126 HydrophobicContact CG1-CB 3.96Å
92	V	98	Very high	94.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.2	179.6	-172.4	0	0	0	0	109.8	F90 S94 V123 F124 N126 L139 L143	F90-V92 HydrophobicContact CD1-CG2 3.56Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; V92-S94 PolarHBondContact O-N 3.27Å; V92-V123 HydrophobicContact CG2-CG1 4.13Å; V92-F124 PolarHBondContact N-O 3.46Å; V92-N126 WeakPolarHBondContact O-CB 3.41Å; V92-N126 PolarHBondContact O-N 2.92Å; V92-L139 HydrophobicContact CB-CD1 4.16Å; V92-L139 HydrophobicContact CB-CD2 4.33Å; V92-L139 HydrophobicContact CG1-CD1 3.81Å; V92-L139 HydrophobicContact CG1-CG 4.46Å; V92-L139 HydrophobicContact CG2-CD2 4.44Å; V92-L143 HydrophobicContact CG2-CD1 4.11Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å
93	D	97.9	Very high	95	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.107	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	108.7	167	-173.5	-17	0	0	0	109	N95 D96 K127	D93-N95 PolarHBondContact O-N 2.93Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.13Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3Å; D93-D96 PolarHBondContact OD1-N 3.49Å; D93-K127 WeakPolarHBondContact OD1-CD 3.43Å; D93-K127 VanDerWaalsContact OD2-CE 3.22Å; D93-K127 WeakPolarHBondContact OD2-CE 3.24Å; D93-K127 IonicContact OD2-NZ 3.33Å; D93-K127 PolarHBondContact OD2-NZ 3.41Å
94	S	98.6	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	-178.3	-49.6	0	0	0	0	112.3	V92 A125 N126 Q128 A133 M134	V92-S94 PolarHBondContact O-N 3.27Å; S94-A125 WeakPolarHBondContact OG-CA 3.48Å; S94-A125 PolarHBondContact OG-O 2.67Å; S94-N126 WeakPolarHBondContact CB-O 3.45Å; S94-N126 PolarHBondContact N-O 3.37Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.16Å; S94-Q128 PolarHBondContact OG-NE2 3.16Å; S94-A133 CarbonylContact O-C 3.55Å; S94-A133 WeakPolarHBondContact O-CA 3.23Å; S94-M134 WeakPolarHBondContact O-CB 3.28Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.4Å; S94-M134 PolarHBondContact O-N 3.08Å
95	N	98	Very high	96	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.5	179	-166.8	79.8	0	0	0	112.2	D93 R97 L130 N132	D93-N95 PolarHBondContact O-N 2.93Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.13Å; N95-R97 PolarHBondContact O-N 2.96Å; N95-R97 VanDerWaalsContact O-N 3.13Å; N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.41Å; N95-L130 WeakPolarHBondContact OD1-CB 3.36Å; N95-N132 WeakPolarHBondContact OD1-CB 3.3Å
96	D	97.4	Very high	96.2	Very high	29 Å²	29	38.4 Å²	38.4	16%	0.155	19%	0.192	C	C	.	.			trans	-86.4	78.4	177.1	-162.5	-28.4	0	0	0	111.4	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3Å; D93-D96 PolarHBondContact OD1-N 3.49Å; D96-E98 PolarHBondContact O-N 3.43Å; D96-E98 PolarHBondContact OD1-N 2.79Å; D96-R99 WeakPolarHBondContact OD1-CB 3.45Å; D96-R99 PolarHBondContact OD1-N 2.94Å; D96-R99 IonicContact OD1-NE 2.71Å; D96-R99 IonicContact OD2-CZ 3.58Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 3.12Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.24Å; D96-V100 PolarHBondContact O-N 2.99Å
97	R	97.1	Very high	96.4	Very high	105 Å²	105	35.5 Å²	35.5	40%	0.396	18%	0.178	S	C	.	.	S	Bend	trans	-69.4	-20.4	-179.1	-68.6	175	169.7	-83.7	-11.5	113.1	N95 V100 N132 M134 E138	N95-R97 PolarHBondContact O-N 2.96Å; N95-R97 VanDerWaalsContact O-N 3.13Å; R97-V100 WeakPolarHBondContact O-CG1 3.28Å; R97-N132 PolarHBondContact NE-O 3.27Å; R97-N132 PolarHBondContact NH2-O 3Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.94Å; R97-M134 HydrophobicContact CG-SD 4Å; R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.8Å; R97-E138 IonicContact NH1-OE1 2.88Å; R97-E138 PolarHBondContact NH1-OE1 2.81Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 2.91Å; R97-E138 IonicContact NH2-OE1 2.71Å; R97-E138 IonicContact NH2-OE2 3.19Å; R97-E138 PolarHBondContact NH2-OE2 3.11Å
98	E	96.6	Very high	96.5	Very high	183 Å²	183	37.7 Å²	37.7	86%	0.855	19%	0.194	S	C	*	.	S	Bend	trans	-79.8	-41.1	-178.4	-64.7	-178.2	179.4	0	0	111.3	D96	D96-E98 PolarHBondContact O-N 3.43Å; D96-E98 PolarHBondContact OD1-N 2.79Å
99	R	96.3	Very high	96.5	Very high	68 Å²	68	42 Å²	42	26%	0.257	21%	0.212	S	C	.	.	S	Bend	trans	-97.1	8.6	-177.2	-60.6	-170.7	-66.2	160.6	2.8	114.8	L25 D26 D96 A101 E102 S103	L25-R99 HydrophobicContact CD1-CB 3.96Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 2.9Å; D26-R99 IonicContact OD2-CZ 3.63Å; D26-R99 IonicContact OD2-NH1 3.3Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å; D26-R99 IonicContact OD2-NH2 3.81Å; D96-R99 WeakPolarHBondContact OD1-CB 3.45Å; D96-R99 PolarHBondContact OD1-N 2.94Å; D96-R99 IonicContact OD1-NE 2.71Å; D96-R99 IonicContact OD2-CZ 3.58Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 3.12Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.24Å; R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 2.77Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 3.24Å; R99-S103 PolarHBondContact O-N 3.26Å; R99-S103 PolarHBondContact O-OG 2.97Å; R99-S103 VanDerWaalsContact O-OG 3.07Å
100	V	97.4	Very high	96.3	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-33	175.7	70.1	0	0	0	0	112.6	D96 R97 S103 A104 M134 K142	D96-V100 PolarHBondContact O-N 2.99Å; R97-V100 WeakPolarHBondContact O-CG1 3.28Å; V100-S103 WeakPolarHBondContact O-CB 3.47Å; V100-S103 PolarHBondContact O-N 3.28Å; V100-A104 PolarHBondContact O-N 3.09Å; V100-M134 HydrophobicContact CB-CE 3.89Å; V100-M134 HydrophobicContact CB-SD 4.27Å; V100-M134 HydrophobicContact CG1-CE 4.45Å; V100-M134 HydrophobicContact CG1-SD 4.29Å; V100-M134 HydrophobicContact CG2-CE 3.85Å; V100-M134 HydrophobicContact CG2-SD 4.07Å; V100-K142 HydrophobicContact CB-CD 4.44Å; V100-K142 HydrophobicContact CG1-CD 3.6Å; V100-K142 HydrophobicContact CG2-CB 3.97Å; V100-K142 HydrophobicContact CG2-CD 4.05Å
101	A	97.1	Very high	96.1	Very high	69 Å²	69	43.4 Å²	43.4	57%	0.57	22%	0.219	S	C	*	.	H	α-helix	trans	-66.3	-41	175.3	0	0	0	0	0	111.4	R99 S103 A104 E105	R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 2.77Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.29Å; A101-E105 PolarHBondContact O-N 3.04Å
102	E	96.1	Very high	95.9	Very high	49 Å²	49	50.3 Å²	50.3	23%	0.229	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-40.8	172.6	179.7	-178.7	-163.3	0	0	111.4	L25 R75 R99 A104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.15Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; R75-E102 IonicContact CZ-OE1 3.37Å; R75-E102 IonicContact NH1-OE1 2.82Å; R75-E102 PolarHBondContact NH1-OE1 3.27Å; R75-E102 IonicContact NH2-OE1 3.14Å; R75-E102 PolarHBondContact NH2-OE1 2.76Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 3.24Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 3.49Å
103	S	95.8	Very high	95.8	Very high	6 Å²	6	54 Å²	54	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-41	173.6	-59.5	0	0	0	0	111.8	L25 F90 R99 V100 A101 L107	L25-S103 WeakPolarHBondContact CD1-OG 3.3Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; F90-S103 VanDerWaalsContact CZ-O 3.3Å; F90-S103 WeakPolarHBondContact CZ-O 3.3Å; R99-S103 PolarHBondContact O-N 3.26Å; R99-S103 PolarHBondContact O-OG 2.97Å; R99-S103 VanDerWaalsContact O-OG 3.07Å; V100-S103 WeakPolarHBondContact O-CB 3.47Å; V100-S103 PolarHBondContact O-N 3.28Å; A101-S103 VanDerWaalsContact C-N 3.34Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 PolarHBondContact O-N 3.29Å
104	A	97.4	Very high	95.6	Very high	18 Å²	18	59.5 Å²	59.5	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-42.2	177	0	0	0	0	0	111.9	V100 A101 E102 L107 S108 K142 L143	V100-A104 PolarHBondContact O-N 3.09Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.26Å; A104-L107 PolarHBondContact O-N 3.14Å; A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.45Å; A104-S108 PolarHBondContact O-N 3.1Å; A104-K142 WeakPolarHBondContact CB-O 3.29Å; A104-L143 HydrophobicContact CB-CD2 3.94Å
105	E	95.8	Very high	95.4	Very high	108 Å²	108	63.7 Å²	63.7	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-47.3	177	-167.6	-169.6	150.8	0	0	111.3	A101 E102 S108 K109	A101-E105 PolarHBondContact O-N 3.04Å; E102-E105 PolarHBondContact O-N 3.35Å; E105-S108 WeakPolarHBondContact O-CB 2.99Å; E105-S108 PolarHBondContact O-N 3.19Å; E105-K109 WeakPolarHBondContact O-CG 3.37Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 3.76Å; E105-K109 PolarHBondContact OE1-NZ 3.41Å
106	E	94.4	Very high	95.2	Very high	21 Å²	21	61.1 Å²	61.1	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-42.8	178.1	-69.8	-56.9	128.7	0	0	112.2	L25 R75 W78 E102 S108 K109 M110	L25-E106 HydrophobicContact CD2-CG 4.17Å; R75-E106 WeakPolarHBondContact CD-OE2 3.48Å; R75-E106 IonicContact NH1-OE1 3.83Å; W78-E106 HydrophobicContact CZ3-CB 4.34Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 3.49Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 2.92Å; E106-K109 PolarHBondContact O-N 2.84Å; E106-K109 IonicContact OE1-NZ 2.73Å; E106-K109 PolarHBondContact OE1-NZ 3.1Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.93Å
107	L	95.7	Very high	95	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-45	173.2	178.8	60.5	0	0	0	110.9	F90 S103 A104 K109 M110 I111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.18Å; F90-L107 HydrophobicContact CD1-CB 4.32Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.39Å; F90-L107 HydrophobicContact CD2-CD1 3.86Å; F90-L107 HydrophobicContact CE1-CB 3.94Å; F90-L107 HydrophobicContact CE2-CB 4.02Å; F90-L107 HydrophobicContact CE2-CD1 4.32Å; F90-L107 HydrophobicContact CG-CD1 3.86Å; F90-L107 HydrophobicContact CZ-CB 3.79Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 PolarHBondContact O-N 3.29Å; A104-L107 PolarHBondContact O-N 3.14Å; L107-K109 PolarHBondContact O-N 2.82Å; L107-M110 PolarHBondContact O-N 2.96Å; L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CG-CG2 4.36Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 WeakPolarHBondContact O-CG2 3.36Å; L107-I111 PolarHBondContact O-N 3.21Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.18Å; L107-L121 HydrophobicContact CD2-CD2 4.46Å; L107-L143 HydrophobicContact CD2-CB 4.4Å; L107-L143 HydrophobicContact CD2-CD1 4.27Å; L107-L145 HydrophobicContact CD2-CD2 3.66Å
108	S	95.1	Very high	94.7	Very high	47 Å²	47	66.6 Å²	66.6	33%	0.329	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-42.8	178.9	-175.6	0	0	0	0	112.1	A104 E105 E106 I111 Q112	A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.45Å; A104-S108 PolarHBondContact O-N 3.1Å; E105-S108 WeakPolarHBondContact O-CB 2.99Å; E105-S108 PolarHBondContact O-N 3.19Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 2.92Å; S108-I111 VanDerWaalsContact O-CG1 3.27Å; S108-I111 WeakPolarHBondContact O-CG1 3.36Å; S108-Q112 VanDerWaalsContact O-CG 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.37Å; S108-Q112 PolarHBondContact O-N 2.96Å; S108-Q112 PolarHBondContact OG-NE2 3.18Å
109	K	93.1	Very high	94.6	Very high	89 Å²	89	58 Å²	58	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-49.3	174.7	-71.6	168.7	-173	160.9	0	110.4	E105 E106 L107 I111 Q112	E105-K109 WeakPolarHBondContact O-CG 3.37Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 3.76Å; E105-K109 PolarHBondContact OE1-NZ 3.41Å; E106-K109 PolarHBondContact O-N 2.84Å; E106-K109 IonicContact OE1-NZ 2.73Å; E106-K109 PolarHBondContact OE1-NZ 3.1Å; L107-K109 PolarHBondContact O-N 2.82Å; K109-I111 PolarHBondContact O-N 3.35Å; K109-Q112 PolarHBondContact O-N 3.28Å
110	M	92.3	Very high	94.6	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-44.4	-177.4	-69.4	-172.9	65.5	0	0	113.6	L21 V23 W78 F82 L88 F90 E106 L107 Q112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.25Å; V23-M110 HydrophobicContact CB-CE 4.42Å; V23-M110 HydrophobicContact CB-SD 4.45Å; V23-M110 HydrophobicContact CG1-CE 4.41Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.78Å; W78-M110 HydrophobicContact CE3-CE 4.44Å; W78-M110 HydrophobicContact CE3-CG 4.26Å; W78-M110 HydrophobicContact CE3-SD 3.49Å; W78-M110 HydrophobicContact CZ3-SD 3.71Å; F82-M110 HydrophobicContact CD1-CE 4.48Å; F82-M110 HydrophobicContact CE1-CE 3.51Å; F82-M110 HydrophobicContact CZ-CE 3.87Å; F82-M110 HydrophobicContact CZ-CG 4.13Å; L88-M110 HydrophobicContact CD1-CE 3.74Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; F90-M110 HydrophobicContact CD2-SD 4.45Å; F90-M110 HydrophobicContact CE2-SD 4.26Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.93Å; L107-M110 PolarHBondContact O-N 2.96Å; M110-Q112 PolarHBondContact O-N 2.88Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 2.81Å; M110-L116 HydrophobicContact CB-CD1 4.19Å; M110-L116 HydrophobicContact CE-CD1 3.96Å; M110-L116 WeakPolarHBondContact O-CD1 2.97Å
111	I	92.3	Very high	94.6	Very high	26 Å²	26	54.3 Å²	54.3	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-71.7	-14.3	-176.7	62.6	171.4	0	0	0	113.7	L107 S108 K109 L148 R151	L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CG-CG2 4.36Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 WeakPolarHBondContact O-CG2 3.36Å; L107-I111 PolarHBondContact O-N 3.21Å; S108-I111 VanDerWaalsContact O-CG1 3.27Å; S108-I111 WeakPolarHBondContact O-CG1 3.36Å; K109-I111 PolarHBondContact O-N 3.35Å; I111-L148 HydrophobicContact CD1-CD1 3.96Å; I111-L148 HydrophobicContact CD1-CD2 3.26Å; I111-L148 HydrophobicContact CD1-CG 4.24Å; I111-R151 PolarHBondContact O-NH2 3.14Å
112	Q	92.7	Very high	94.7	Very high	145 Å²	145	51 Å²	51	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.2	175.5	-72.9	174.3	16.8	0	0	112.6	S108 K109 M110	S108-Q112 VanDerWaalsContact O-CG 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.37Å; S108-Q112 PolarHBondContact O-N 2.96Å; S108-Q112 PolarHBondContact OG-NE2 3.18Å; K109-Q112 PolarHBondContact O-N 3.28Å; M110-Q112 PolarHBondContact O-N 2.88Å
113	E	94.3	Very high	94.8	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	24%	0.242	S	C	.	.	S	Bend	trans	-72.7	130.6	178.2	-60.1	-77.4	172.4	0	0	110.2	F82 M110 E115 L116 K117	F82-E113 HydrophobicContact CD2-CB 3.91Å; F82-E113 HydrophobicContact CD2-CG 3.9Å; F82-E113 HydrophobicContact CE2-CB 4.13Å; F82-E113 HydrophobicContact CE2-CG 3.61Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 2.81Å; E113-E115 PolarHBondContact O-N 3.48Å; E113-L116 PolarHBondContact O-N 3.38Å; E113-K117 PolarHBondContact O-N 3.26Å
114	D	93.5	Very high	94.9	Very high	135 Å²	135	48.4 Å²	48.4	72%	0.722	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-60.3	-36.9	-174.9	-81.2	-32.6	0	0	0	111.6	L116 K117	D114-L116 PolarHBondContact O-N 2.85Å; D114-K117 WeakPolarHBondContact O-CB 3.4Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 VanDerWaalsContact O-N 3.12Å
115	E	94.3	Very high	95	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.411	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-64	-23.5	177.6	-62.6	95.2	146.6	0	0	113.2	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.46Å; Q83-E115 HydrophobicContact CG-CG 4.1Å; E113-E115 PolarHBondContact O-N 3.48Å
116	L	94.2	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-100.8	-0.3	177.4	-67.4	-177.9	0	0	0	112.9	F82 T85 L88 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.02Å; F82-L116 HydrophobicContact CB-CG 3.88Å; F82-L116 HydrophobicContact CD1-CD1 3.63Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.01Å; F82-L116 HydrophobicContact CD2-CD1 4.08Å; F82-L116 HydrophobicContact CD2-CG 4.24Å; F82-L116 HydrophobicContact CE1-CD1 3.82Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.2Å; F82-L116 HydrophobicContact CG-CG 3.78Å; F82-L116 HydrophobicContact CZ-CD1 4.13Å; T85-L116 HydrophobicContact CG2-CD2 3.78Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; M110-L116 HydrophobicContact CB-CD1 4.19Å; M110-L116 HydrophobicContact CE-CD1 3.96Å; M110-L116 WeakPolarHBondContact O-CD1 2.97Å; E113-L116 PolarHBondContact O-N 3.38Å; D114-L116 PolarHBondContact O-N 2.85Å; L116-D118 PolarHBondContact O-N 2.51Å; L116-D118 VanDerWaalsContact O-N 3.11Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.4Å; L116-A119 PolarHBondContact O-N 3.44Å; L116-R151 VanDerWaalsContact O-CZ 3.27Å; L116-R151 PolarHBondContact O-NH1 2.81Å; L116-R151 PolarHBondContact O-NH2 2.91Å
117	K	92.8	Very high	95.3	Very high	138 Å²	138	43.9 Å²	43.9	60%	0.6	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-43.8	-175.4	-179.9	179.4	176.3	-179.2	0	113.4	E113 D114 R151	E113-K117 PolarHBondContact O-N 3.26Å; D114-K117 WeakPolarHBondContact O-CB 3.4Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 VanDerWaalsContact O-N 3.12Å; K117-R151 PolarHBondContact O-NH1 3.45Å; K117-R151 PolarHBondContact O-NH2 2.97Å
118	D	92.1	Very high	95.4	Very high	112 Å²	112	46.7 Å²	46.7	60%	0.599	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	-176	-64.8	-39.4	0	0	0	113.7	L116 R180	L116-D118 PolarHBondContact O-N 2.51Å; L116-D118 VanDerWaalsContact O-N 3.11Å; D118-R180 PolarHBondContact O-NH1 3.23Å; D118-R180 PolarHBondContact O-NH2 3.14Å; D118-R180 VanDerWaalsContact O-NH2 3.11Å
119	A	94.6	Very high	95.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65	135.6	-176.8	0	0	0	0	0	112.5	Q86 L116 R151	Q86-A119 WeakPolarHBondContact O-CA 2.93Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.4Å; L116-A119 PolarHBondContact O-N 3.44Å; A119-R151 PolarHBondContact O-NH1 3.14Å
120	V	96.3	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.7	171	-179.9	0	0	0	0	109	Q86 G87 L88 T152 W172 L173 E176 L177	Q86-V120 PolarHBondContact O-N 3.01Å; G87-V120 CarbonylContact C-O 3.52Å; G87-V120 WeakPolarHBondContact CA-O 3.33Å; L88-V120 PolarHBondContact N-O 3.48Å; V120-T152 HydrophobicContact CG1-CG2 4.15Å; V120-W172 HydrophobicContact CG1-CH2 3.57Å; V120-W172 HydrophobicContact CG1-CZ3 3.74Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.67Å; V120-E176 HydrophobicContact CG1-CB 4Å; V120-E176 HydrophobicContact CG2-CB 4.41Å; V120-L177 HydrophobicContact CB-CD2 4.14Å; V120-L177 HydrophobicContact CG2-CD2 3.84Å
121	L	97.8	Very high	95.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.2	-176.9	172.4	62.9	0	0	0	111.5	L88 F90 L107 V123 L145 L148 T152 W153 H154	L88-L121 HydrophobicContact CB-CD1 4.35Å; L88-L121 HydrophobicContact CD2-CD1 3.98Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.59Å; L88-L121 WeakPolarHBondContact O-CA 3.17Å; F90-L121 HydrophobicContact CB-CD1 4.05Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.18Å; L107-L121 HydrophobicContact CD2-CD2 4.46Å; L121-V123 HydrophobicContact CD1-CG2 4.13Å; L121-V123 HydrophobicContact CD2-CG2 4.27Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; L121-L145 HydrophobicContact CD2-CD2 4.4Å; L121-L148 HydrophobicContact CD2-CD1 4.06Å; L121-T152 PolarHBondContact N-O 3.42Å; L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.5Å; L121-W153 WeakPolarHBondContact O-CA 3.12Å; L121-H154 PolarHBondContact O-N 3.36Å
122	L	97.9	Very high	96	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.2	165.5	174.5	63.9	0	0	0	108.7	L88 I89 F90 F124 H154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.21Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.48Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.25Å; F90-L122 PolarHBondContact N-O 3.18Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.81Å; L122-F124 HydrophobicContact CD2-CE2 4.09Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.46Å; L122-F124 HydrophobicContact CG-CE1 4.31Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; L122-H154 HydrophobicContact CD1-CB 4.38Å; L122-Q156 HydrophobicContact CD1-CB 4.1Å; L122-G169 WeakPolarHBondContact CD2-O 3.35Å; L122-W172 HydrophobicContact CB-CE3 4.5Å; L122-W172 HydrophobicContact CB-CZ3 4.19Å; L122-W172 HydrophobicContact CD1-CE3 4.07Å; L122-W172 HydrophobicContact CD1-CZ3 4.39Å; L122-L173 HydrophobicContact CB-CD1 4.45Å; L122-L173 HydrophobicContact CB-CD2 4.22Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 4.11Å
123	V	98.6	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.3	171.4	-178	0	0	0	0	109	F90 V92 L121 L139 L143 L145 H154 V155 Q156	F90-V123 HydrophobicContact CB-CG2 4.48Å; F90-V123 CarbonylContact O-C 3.5Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.35Å; V92-V123 HydrophobicContact CG2-CG1 4.13Å; L121-V123 HydrophobicContact CD1-CG2 4.13Å; L121-V123 HydrophobicContact CD2-CG2 4.27Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; V123-L139 HydrophobicContact CG1-CD2 3.85Å; V123-L143 HydrophobicContact CG1-CD1 3.81Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; V123-L145 HydrophobicContact CG2-CD1 4.07Å; V123-H154 PolarHBondContact N-O 3.14Å; V123-V155 HydrophobicContact CB-CB 4.43Å; V123-V155 HydrophobicContact CB-CG1 4.21Å; V123-V155 HydrophobicContact CB-CG2 4.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG2 4.49Å; V123-V155 WeakPolarHBondContact O-CA 3.11Å; V123-Q156 PolarHBondContact O-N 3.37Å
124	F	98.5	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.5	167.2	-76.2	-42.7	0	0	0	109.7	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166 L170	I33-F124 HydrophobicContact CD1-CD2 3.9Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.46Å; I89-F124 HydrophobicContact CD1-CE2 4.48Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.61Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; F90-F124 PolarHBondContact O-N 3.21Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.31Å; V92-F124 PolarHBondContact N-O 3.46Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.81Å; L122-F124 HydrophobicContact CD2-CE2 4.09Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.46Å; L122-F124 HydrophobicContact CG-CE1 4.31Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.33Å; F124-N126 VanDerWaalsContact O-N 3.08Å; F124-Q156 HydrophobicContact CD1-CB 3.92Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.04Å; F124-T158 HydrophobicContact CB-CG2 4.31Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; F124-L166 HydrophobicContact CE2-CD2 4.48Å; F124-L166 HydrophobicContact CZ-CD2 4.36Å; F124-L170 HydrophobicContact CZ-CG 4.4Å
125	A	98.6	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	85.1	167	0	0	0	0	0	107.5	S94 Q128 L139 V155 Q156 T158	S94-A125 WeakPolarHBondContact OG-CA 3.48Å; S94-A125 PolarHBondContact OG-O 2.67Å; A125-Q128 WeakPolarHBondContact O-CG 3.43Å; A125-L139 HydrophobicContact CB-CD1 4.19Å; A125-L139 HydrophobicContact CB-CD2 4.06Å; A125-V155 HydrophobicContact CB-CG1 4.14Å; A125-Q156 PolarHBondContact N-O 3.07Å; A125-T158 PolarHBondContact O-N 2.99Å
126	N	98.5	Very high	96.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.9	-169.8	-168.3	36.9	0	0	0	112.7	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.18Å; V91-N126 HydrophobicContact CG1-CB 3.96Å; V92-N126 WeakPolarHBondContact O-CB 3.41Å; V92-N126 PolarHBondContact O-N 2.92Å; S94-N126 WeakPolarHBondContact CB-O 3.45Å; S94-N126 PolarHBondContact N-O 3.37Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.16Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.33Å; F124-N126 VanDerWaalsContact O-N 3.08Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.38Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.48Å; N126-T158 WeakPolarHBondContact CB-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 3.16Å; N126-T158 PolarHBondContact OD1-OG1 2.86Å; N126-A160 WeakPolarHBondContact OD1-CB 3.45Å; N126-A160 PolarHBondContact OD1-N 3.45Å
127	K	98.3	Very high	97	Very high	49 Å²	49	44 Å²	44	21%	0.213	25%	0.25	C	C	.	.			trans	66.4	35.4	-177	-44	-165.6	-165.6	172.2	0	114.2	A27 D93 D129 L130 T158	A27-K127 WeakPolarHBondContact O-CE 3.37Å; A27-K127 PolarHBondContact O-NZ 3.11Å; D93-K127 WeakPolarHBondContact OD1-CD 3.43Å; D93-K127 VanDerWaalsContact OD2-CE 3.22Å; D93-K127 WeakPolarHBondContact OD2-CE 3.24Å; D93-K127 IonicContact OD2-NZ 3.33Å; D93-K127 PolarHBondContact OD2-NZ 3.41Å; K127-D129 WeakPolarHBondContact CA-OD1 3.3Å; K127-D129 PolarHBondContact O-N 2.89Å; K127-D129 VanDerWaalsContact O-N 3.16Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.02Å; K127-L130 PolarHBondContact O-N 2.73Å; K127-L130 VanDerWaalsContact O-N 3.16Å; K127-T158 PolarHBondContact N-O 2.76Å; K127-T158 VanDerWaalsContact N-O 3.11Å
128	Q	98.4	Very high	97.3	Very high	62 Å²	62	40.3 Å²	40.3	29%	0.29	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.4	177.1	-67.5	-73.4	-48.4	0	0	113.6	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 3.16Å; A125-Q128 WeakPolarHBondContact O-CG 3.43Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 3.25Å; Q128-A157 HydrophobicContact CG-CB 4.01Å; Q128-T158 PolarHBondContact N-O 3.4Å
129	D	97.6	Very high	97.6	Very high	77 Å²	77	35 Å²	35	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.9	172.4	57.1	-64.5	0	0	0	113.7	K127 C159	K127-D129 WeakPolarHBondContact CA-OD1 3.3Å; K127-D129 PolarHBondContact O-N 2.89Å; K127-D129 VanDerWaalsContact O-N 3.16Å; D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 PolarHBondContact OD1-SG 2.99Å
130	L	97.4	Very high	97.7	Very high	61 Å²	61	35.4 Å²	35.4	32%	0.319	21%	0.209	S	C	.	.	S	Bend	trans	-87.1	143.4	-178.1	-61.4	-179.1	0	0	0	112.2	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.41Å; N95-L130 WeakPolarHBondContact OD1-CB 3.36Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.02Å; K127-L130 PolarHBondContact O-N 2.73Å; K127-L130 VanDerWaalsContact O-N 3.16Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; L130-N132 VanDerWaalsContact C-N 3.26Å; L130-N132 PolarHBondContact O-N 2.86Å; L130-N132 VanDerWaalsContact O-N 3.14Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.27Å; L130-A133 PolarHBondContact O-N 2.87Å; L130-A133 VanDerWaalsContact O-N 3.14Å
131	P	94.2	Very high	97.8	Very high	121 Å²	121	39.8 Å²	39.8	79%	0.786	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.5	-168.9	24.9	-35.3	0	0	0	114.9
132	N	95.2	Very high	97.8	Very high	106 Å²	106	43.5 Å²	43.5	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	13.5	-179.3	-63.6	-44.2	0	0	0	112.8	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CB 3.3Å; R97-N132 PolarHBondContact NE-O 3.27Å; R97-N132 PolarHBondContact NH2-O 3Å; L130-N132 VanDerWaalsContact C-N 3.26Å; L130-N132 PolarHBondContact O-N 2.86Å; L130-N132 VanDerWaalsContact O-N 3.14Å; N132-M134 PolarHBondContact O-N 3.49Å
133	A	97.9	Very high	97.8	Very high	21 Å²	21	44.2 Å²	44.2	17%	0.174	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.8	132	-180	0	0	0	0	0	111.6	S94 L130 G135	S94-A133 CarbonylContact O-C 3.55Å; S94-A133 WeakPolarHBondContact O-CA 3.23Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.27Å; L130-A133 PolarHBondContact O-N 2.87Å; L130-A133 VanDerWaalsContact O-N 3.14Å; A133-G135 PolarHBondContact O-N 3.15Å
134	M	98.6	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-64.6	125.5	170.4	-66	175.6	-78.2	0	0	109	S94 R97 V100 Q128 N132 E138 L139 K142	S94-M134 WeakPolarHBondContact O-CB 3.28Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.4Å; S94-M134 PolarHBondContact O-N 3.08Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.94Å; R97-M134 HydrophobicContact CG-SD 4Å; V100-M134 HydrophobicContact CB-CE 3.89Å; V100-M134 HydrophobicContact CB-SD 4.27Å; V100-M134 HydrophobicContact CG1-CE 4.45Å; V100-M134 HydrophobicContact CG1-SD 4.29Å; V100-M134 HydrophobicContact CG2-CE 3.85Å; V100-M134 HydrophobicContact CG2-SD 4.07Å; Q128-M134 PolarHBondContact NE2-O 3.25Å; N132-M134 PolarHBondContact O-N 3.49Å; M134-E138 HydrophobicContact CB-CB 4.39Å; M134-E138 HydrophobicContact CB-CG 4.33Å; M134-E138 HydrophobicContact CG-CG 4.32Å; M134-L139 HydrophobicContact CB-CD1 4.39Å; M134-L139 HydrophobicContact CE-CD1 4.36Å; M134-K142 HydrophobicContact SD-CD 3.75Å; M134-K142 PolarHBondContact SD-NZ 3.47Å
135	G	98.1	Very high	97.6	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-66.8	165.1	173.6	0	0	0	0	0	111.8	A133 S137 E138 L139	A133-G135 PolarHBondContact O-N 3.15Å; G135-S137 VanDerWaalsContact C-N 3.27Å; G135-S137 PolarHBondContact O-N 3.33Å; G135-E138 PolarHBondContact O-N 2.67Å; G135-E138 VanDerWaalsContact O-N 3.14Å; G135-L139 PolarHBondContact O-N 3.14Å
136	V	98	Very high	97.4	Very high	51 Å²	51	50 Å²	50	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-53.8	-42.5	-177.6	172.6	0	0	0	0	112.6	L139 T140 V155 A157	V136-L139 PolarHBondContact O-N 3.14Å; V136-T140 WeakPolarHBondContact O-CB 3.46Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 3.15Å; V136-V155 HydrophobicContact CG1-CB 3.83Å; V136-V155 HydrophobicContact CG1-CG1 3.78Å; V136-A157 HydrophobicContact CG2-CB 3.74Å
137	S	97.9	Very high	97.1	Very high	87 Å²	87	54.1 Å²	54.1	61%	0.608	32%	0.316	S	S	*	.	H	α-helix	trans	-62.1	-50.5	178.5	-166.3	0	0	0	0	111.7	G135 L139 T140 D141	G135-S137 VanDerWaalsContact C-N 3.27Å; G135-S137 PolarHBondContact O-N 3.33Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.39Å; S137-T140 WeakPolarHBondContact O-CB 3.37Å; S137-T140 PolarHBondContact O-N 2.92Å; S137-D141 PolarHBondContact O-N 2.98Å; S137-D141 VanDerWaalsContact O-N 3.07Å
138	E	98.3	Very high	96.9	Very high	61 Å²	61	53 Å²	53	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-42.3	-180	-175.5	-175.5	174.5	0	0	111.3	R97 M134 G135 D141 K142	R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.8Å; R97-E138 IonicContact NH1-OE1 2.88Å; R97-E138 PolarHBondContact NH1-OE1 2.81Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 2.91Å; R97-E138 IonicContact NH2-OE1 2.71Å; R97-E138 IonicContact NH2-OE2 3.19Å; R97-E138 PolarHBondContact NH2-OE2 3.11Å; M134-E138 HydrophobicContact CB-CB 4.39Å; M134-E138 HydrophobicContact CB-CG 4.33Å; M134-E138 HydrophobicContact CG-CG 4.32Å; G135-E138 PolarHBondContact O-N 2.67Å; G135-E138 VanDerWaalsContact O-N 3.14Å; E138-D141 PolarHBondContact O-N 3.47Å; E138-K142 HydrophobicContact CG-CD 4.41Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.06Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å; E138-K142 IonicContact OE1-NZ 3.26Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å
139	L	98.1	Very high	96.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-36.4	179.6	-161	128.5	0	0	0	111.7	V92 V123 A125 M134 G135 V136 S137 D141 K142 L143 V155	V92-L139 HydrophobicContact CB-CD1 4.16Å; V92-L139 HydrophobicContact CB-CD2 4.33Å; V92-L139 HydrophobicContact CG1-CD1 3.81Å; V92-L139 HydrophobicContact CG1-CG 4.46Å; V92-L139 HydrophobicContact CG2-CD2 4.44Å; V123-L139 HydrophobicContact CG1-CD2 3.85Å; A125-L139 HydrophobicContact CB-CD1 4.19Å; A125-L139 HydrophobicContact CB-CD2 4.06Å; M134-L139 HydrophobicContact CB-CD1 4.39Å; M134-L139 HydrophobicContact CE-CD1 4.36Å; G135-L139 PolarHBondContact O-N 3.14Å; V136-L139 PolarHBondContact O-N 3.14Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.39Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.23Å; L139-K142 PolarHBondContact O-N 3.04Å; L139-L143 HydrophobicContact CD2-CD1 3.49Å; L139-L143 VanDerWaalsContact CD2-CD1 3.49Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.32Å; L139-V155 HydrophobicContact CD2-CG1 4.27Å
140	T	98.1	Very high	96	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-44.4	174.5	-58.6	0	0	0	0	111.2	V136 S137 G144 L145 W153	V136-T140 WeakPolarHBondContact O-CB 3.46Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 3.15Å; S137-T140 WeakPolarHBondContact O-CB 3.37Å; S137-T140 PolarHBondContact O-N 2.92Å; T140-G144 PolarHBondContact O-N 2.72Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.48Å; T140-L145 PolarHBondContact O-N 2.96Å; T140-L145 VanDerWaalsContact O-N 3.15Å; T140-W153 HydrophobicContact CG2-CH2 3.94Å; T140-W153 HydrophobicContact CG2-CZ3 4.23Å
141	D	97.9	Very high	95.9	Very high	92 Å²	92	61.1 Å²	61.1	49%	0.492	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-49.5	177.6	-70.2	-36.7	0	0	0	111.5	S137 E138 L139 L143 G144 H146	S137-D141 PolarHBondContact O-N 2.98Å; S137-D141 VanDerWaalsContact O-N 3.07Å; E138-D141 PolarHBondContact O-N 3.47Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.23Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-G144 PolarHBondContact O-N 3.43Å; D141-H146 IonicContact OD1-CD2 2.64Å; D141-H146 PolarHBondContact OD1-CD2 3.17Å; D141-H146 IonicContact OD1-NE2 2.64Å; D141-H146 PolarHBondContact OD1-NE2 3.34Å
142	K	97.9	Very high	96	Very high	77 Å²	77	57.7 Å²	57.7	34%	0.335	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-31.9	-177.6	-72.4	-169.8	-175.1	176.6	0	113.9	V100 A104 M134 E138 L139 G144	V100-K142 HydrophobicContact CB-CD 4.44Å; V100-K142 HydrophobicContact CG1-CD 3.6Å; V100-K142 HydrophobicContact CG2-CB 3.97Å; V100-K142 HydrophobicContact CG2-CD 4.05Å; A104-K142 WeakPolarHBondContact CB-O 3.29Å; M134-K142 HydrophobicContact SD-CD 3.75Å; M134-K142 PolarHBondContact SD-NZ 3.47Å; E138-K142 HydrophobicContact CG-CD 4.41Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.06Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å; E138-K142 IonicContact OE1-NZ 3.26Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å; L139-K142 PolarHBondContact O-N 3.04Å; K142-G144 VanDerWaalsContact C-N 3.26Å
143	L	97.9	Very high	96.1	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.2	173.2	-66.4	-179.1	0	0	0	112.9	V92 A104 L107 V123 L139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.11Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å; A104-L143 HydrophobicContact CB-CD2 3.94Å; L107-L143 HydrophobicContact CD2-CB 4.4Å; L107-L143 HydrophobicContact CD2-CD1 4.27Å; V123-L143 HydrophobicContact CG1-CD1 3.81Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; L139-L143 HydrophobicContact CD2-CD1 3.49Å; L139-L143 VanDerWaalsContact CD2-CD1 3.49Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.32Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.92Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.42Å; L143-L145 HydrophobicContact CB-CD2 3.83Å; L143-L145 HydrophobicContact CB-CG 3.8Å; L143-L145 HydrophobicContact CD1-CD1 4.36Å; L143-L145 HydrophobicContact CD1-CD2 4.46Å; L143-L145 PolarHBondContact O-N 3.44Å
144	G	97	Very high	96.1	Very high	31 Å²	31	57.9 Å²	57.9	32%	0.32	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	25.2	178.8	0	0	0	0	0	114.1	T140 D141 K142 H146 S147	T140-G144 PolarHBondContact O-N 2.72Å; D141-G144 PolarHBondContact O-N 3.43Å; K142-G144 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 3.49Å; G144-H146 VanDerWaalsContact O-N 3.14Å; G144-S147 WeakPolarHBondContact O-CB 3.46Å; G144-S147 PolarHBondContact O-N 3.26Å; G144-S147 PolarHBondContact O-OG 3.29Å
145	L	96.6	Very high	96.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64.2	-24.5	-171.4	-56.7	-177.6	0	0	0	113.1	L107 L121 V123 T140 L143 S147 L148 W153 V155	L107-L145 HydrophobicContact CD2-CD2 3.66Å; L121-L145 HydrophobicContact CD2-CD2 4.4Å; V123-L145 HydrophobicContact CG2-CD1 4.07Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.48Å; T140-L145 PolarHBondContact O-N 2.96Å; T140-L145 VanDerWaalsContact O-N 3.15Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.42Å; L143-L145 HydrophobicContact CB-CD2 3.83Å; L143-L145 HydrophobicContact CB-CG 3.8Å; L143-L145 HydrophobicContact CD1-CD1 4.36Å; L143-L145 HydrophobicContact CD1-CD2 4.46Å; L143-L145 PolarHBondContact O-N 3.44Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-S147 VanDerWaalsContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 3.92Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L145-L148 PolarHBondContact O-N 2.76Å; L145-W153 HydrophobicContact CB-CD2 4.32Å; L145-W153 HydrophobicContact CB-CE3 4.4Å; L145-W153 HydrophobicContact CB-CH2 4.3Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.17Å; L145-W153 HydrophobicContact CD1-CZ3 4.32Å; L145-W153 PolarHBondContact O-NE1 2.99Å; L145-V155 HydrophobicContact CD1-CG2 3.31Å
146	H	94.1	Very high	96.2	Very high	92 Å²	92	58.5 Å²	58.5	43%	0.426	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.2	-22.8	175.2	-66.6	-53	0	0	0	113.9	D141 G144 L148 R149	D141-H146 IonicContact OD1-CD2 2.64Å; D141-H146 PolarHBondContact OD1-CD2 3.17Å; D141-H146 IonicContact OD1-NE2 2.64Å; D141-H146 PolarHBondContact OD1-NE2 3.34Å; G144-H146 PolarHBondContact O-N 3.49Å; G144-H146 VanDerWaalsContact O-N 3.14Å; H146-L148 VanDerWaalsContact C-N 3.27Å; H146-R149 PolarHBondContact O-NH1 3.05Å; H146-R149 VanDerWaalsContact O-NH1 3.16Å
147	S	92.6	Very high	96.2	Very high	89 Å²	89	57.8 Å²	57.8	62%	0.622	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-74.7	-16.9	175.7	69.5	0	0	0	0	113.1	G144 L145 R149	G144-S147 WeakPolarHBondContact O-CB 3.46Å; G144-S147 PolarHBondContact O-N 3.26Å; G144-S147 PolarHBondContact O-OG 3.29Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-S147 VanDerWaalsContact O-N 3.15Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 2.98Å
148	L	92.2	Very high	96.2	Very high	26 Å²	26	53.7 Å²	53.7	14%	0.136	28%	0.283	C	S	.	.			trans	-82.9	69	-174	-52.1	-172.4	0	0	0	111.8	I111 L121 L145 H146 R151	I111-L148 HydrophobicContact CD1-CD1 3.96Å; I111-L148 HydrophobicContact CD1-CD2 3.26Å; I111-L148 HydrophobicContact CD1-CG 4.24Å; L121-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD1 3.92Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L145-L148 PolarHBondContact O-N 2.76Å; H146-L148 VanDerWaalsContact C-N 3.27Å; L148-R151 HydrophobicContact CB-CB 4.45Å
149	R	88.7	Confident	96.2	Very high	218 Å²	218	50.9 Å²	50.9	82%	0.823	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.1	-175.2	-60.8	-61.7	-173.5	-154.7	-2.1	114.4	H146 S147	H146-R149 PolarHBondContact O-NH1 3.05Å; H146-R149 VanDerWaalsContact O-NH1 3.16Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 2.98Å
150	S	89.5	Confident	96	Very high	126 Å²	126	51.1 Å²	51.1	88%	0.881	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	6.6	-173.8	52.9	0	0	0	0	113.9
151	R	94.3	Very high	95.7	Very high	26 Å²	26	53.4 Å²	53.4	10%	0.098	29%	0.286	C	S	.	.	S	Bend	trans	-123.9	133.9	-174.8	-174.4	176.8	-69.1	-86.7	7	110.5	I111 L116 K117 A119 L148 W153	I111-R151 PolarHBondContact O-NH2 3.14Å; L116-R151 VanDerWaalsContact O-CZ 3.27Å; L116-R151 PolarHBondContact O-NH1 2.81Å; L116-R151 PolarHBondContact O-NH2 2.91Å; K117-R151 PolarHBondContact O-NH1 3.45Å; K117-R151 PolarHBondContact O-NH2 2.97Å; A119-R151 PolarHBondContact O-NH1 3.14Å; L148-R151 HydrophobicContact CB-CB 4.45Å; R151-W153 VanDerWaalsContact O-CD1 3.25Å; R151-W153 PolarHBondContact O-N 2.81Å
152	T	97	Very high	95.4	Very high	50 Å²	50	54.7 Å²	54.7	31%	0.307	29%	0.289	S	S	.	.			trans	-73	121.6	169.7	-49.5	0	0	0	0	109	V120 L121 W172 E176	V120-T152 HydrophobicContact CG1-CG2 4.15Å; L121-T152 PolarHBondContact N-O 3.42Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.94Å; T152-E176 HydrophobicContact CG2-CB 4.5Å; T152-E176 HydrophobicContact CG2-CG 4.05Å
153	W	98.1	Very high	95.1	Very high	77 Å²	77	51.4 Å²	51.4	29%	0.292	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.2	178	62.5	-97.8	0	0	0	113.2	L121 T140 L145 R151 V155 W172	L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.5Å; L121-W153 WeakPolarHBondContact O-CA 3.12Å; T140-W153 HydrophobicContact CG2-CH2 3.94Å; T140-W153 HydrophobicContact CG2-CZ3 4.23Å; L145-W153 HydrophobicContact CB-CD2 4.32Å; L145-W153 HydrophobicContact CB-CE3 4.4Å; L145-W153 HydrophobicContact CB-CH2 4.3Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.17Å; L145-W153 HydrophobicContact CD1-CZ3 4.32Å; L145-W153 PolarHBondContact O-NE1 2.99Å; R151-W153 VanDerWaalsContact O-CD1 3.25Å; R151-W153 PolarHBondContact O-N 2.81Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.97Å; W153-W172 VanDerWaalsContact C-CH2 3.42Å
154	H	98.3	Very high	95	Very high	54 Å²	54	54.2 Å²	54.2	25%	0.25	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.1	171.3	178.3	56.5	0	0	0	110.5	L121 L122 V123 Q156 W172	L121-H154 PolarHBondContact O-N 3.36Å; L122-H154 HydrophobicContact CD1-CB 4.38Å; V123-H154 PolarHBondContact N-O 3.14Å; H154-Q156 PolarHBondContact NE2-OE1 3.5Å; H154-W172 HydrophobicContact CB-CD2 3.42Å; H154-W172 VanDerWaalsContact CB-CD2 3.42Å; H154-W172 HydrophobicContact CB-CE3 3.52Å; H154-W172 HydrophobicContact CB-CG 4.2Å; H154-W172 HydrophobicContact CB-CH2 3.45Å; H154-W172 VanDerWaalsContact CB-CH2 3.45Å; H154-W172 HydrophobicContact CB-CZ2 3.34Å; H154-W172 HydrophobicContact CB-CZ3 3.54Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.87Å; H154-W172 AromaticContact CG-CD2 3.83Å; H154-W172 AromaticContact CG-CE2 3.95Å
155	V	98.6	Very high	95	Very high	9 Å²	9	53 Å²	53	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.6	174.1	-171.8	0	0	0	0	108.4	V123 A125 V136 L139 L145 W153	V123-V155 HydrophobicContact CB-CB 4.43Å; V123-V155 HydrophobicContact CB-CG1 4.21Å; V123-V155 HydrophobicContact CB-CG2 4.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG2 4.49Å; V123-V155 WeakPolarHBondContact O-CA 3.11Å; A125-V155 HydrophobicContact CB-CG1 4.14Å; V136-V155 HydrophobicContact CG1-CB 3.83Å; V136-V155 HydrophobicContact CG1-CG1 3.78Å; L139-V155 HydrophobicContact CD2-CG1 4.27Å; L145-V155 HydrophobicContact CD1-CG2 3.31Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.97Å
156	Q	98.7	Very high	94.8	Very high	37 Å²	37	53 Å²	53	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	-179	-178.7	60	52.9	0	0	109.6	L122 V123 F124 A125 H154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.1Å; V123-Q156 PolarHBondContact O-N 3.37Å; F124-Q156 HydrophobicContact CD1-CB 3.92Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.04Å; A125-Q156 PolarHBondContact N-O 3.07Å; H154-Q156 PolarHBondContact NE2-OE1 3.5Å; Q156-T158 HydrophobicContact CG-CG2 3.95Å; Q156-G165 WeakPolarHBondContact CG-O 3.43Å
157	A	98.6	Very high	94.7	Very high	35 Å²	35	53.4 Å²	53.4	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.2	168.2	0	0	0	0	0	109.8	Q128 V136	Q128-A157 HydrophobicContact CG-CB 4.01Å; V136-A157 HydrophobicContact CG2-CB 3.74Å
158	T	98.4	Very high	94.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.274	C	S	.	.			trans	-140	153.1	-179.1	63.2	0	0	0	0	113.9	F124 A125 N126 K127 Q128 Q156 T164 L166	F124-T158 HydrophobicContact CB-CG2 4.31Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; A125-T158 PolarHBondContact O-N 2.99Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.38Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.48Å; N126-T158 WeakPolarHBondContact CB-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 3.16Å; N126-T158 PolarHBondContact OD1-OG1 2.86Å; K127-T158 PolarHBondContact N-O 2.76Å; K127-T158 VanDerWaalsContact N-O 3.11Å; Q128-T158 PolarHBondContact N-O 3.4Å; Q156-T158 HydrophobicContact CG-CG2 3.95Å; T158-T164 VanDerWaalsContact CA-O 3.3Å; T158-T164 WeakPolarHBondContact CA-O 3.38Å; T158-L166 HydrophobicContact CG2-CD2 3.89Å
159	C	97.4	Very high	95	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.02	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-125.4	102.3	162.1	177	0	0	0	0	107.8	D129 T161 Q162 G163 T164	D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 PolarHBondContact OD1-SG 2.99Å; C159-T161 VanDerWaalsContact C-N 3.27Å; C159-T161 PolarHBondContact O-N 3.32Å; C159-T161 PolarHBondContact SG-OG1 3.38Å; C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 HydrophobicContact CB-CG 4.49Å; C159-Q162 PolarHBondContact O-N 2.96Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; C159-G163 WeakPolarHBondContact O-CA 3.22Å; C159-G163 PolarHBondContact O-N 2.64Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.38Å; C159-T164 PolarHBondContact N-O 2.94Å; C159-T164 VanDerWaalsContact N-O 3.1Å; C159-T164 PolarHBondContact N-OG1 3.23Å; C159-T164 PolarHBondContact O-N 3.3Å
160	A	93.7	Very high	95.1	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.2	-175.1	0	0	0	0	0	113.6	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.74Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.51Å; N126-A160 WeakPolarHBondContact OD1-CB 3.45Å; N126-A160 PolarHBondContact OD1-N 3.45Å
161	T	92.4	Very high	95.2	Very high	60 Å²	60	38.8 Å²	38.8	37%	0.368	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-43	179.4	51.5	0	0	0	0	111.1	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.09Å; K36-T161 PolarHBondContact NZ-O 2.85Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.45Å; C159-T161 VanDerWaalsContact C-N 3.27Å; C159-T161 PolarHBondContact O-N 3.32Å; C159-T161 PolarHBondContact SG-OG1 3.38Å
162	Q	92.6	Very high	95.2	Very high	118 Å²	118	40 Å²	40	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-27.2	178.5	-61.9	179.3	32.5	0	0	112.4	K36 C159 T164	K36-Q162 WeakPolarHBondContact CE-O 3.12Å; K36-Q162 PolarHBondContact NZ-O 2.77Å; C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 HydrophobicContact CB-CG 4.49Å; C159-Q162 PolarHBondContact O-N 2.96Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; Q162-T164 VanDerWaalsContact C-N 3.35Å; Q162-T164 HydrophobicContact CB-CG2 4.07Å
163	G	91.3	Very high	95	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-0.7	-175.2	0	0	0	0	0	114.2	C159 L166	C159-G163 WeakPolarHBondContact O-CA 3.22Å; C159-G163 PolarHBondContact O-N 2.64Å; G163-L166 PolarHBondContact O-N 3.31Å
164	T	95.6	Very high	94.5	Very high	73 Å²	73	34.2 Å²	34.2	45%	0.448	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-65.1	134.8	-178.6	58.7	0	0	0	0	110.8	T158 C159 Q162 L166	T158-T164 VanDerWaalsContact CA-O 3.3Å; T158-T164 WeakPolarHBondContact CA-O 3.38Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.38Å; C159-T164 PolarHBondContact N-O 2.94Å; C159-T164 VanDerWaalsContact N-O 3.1Å; C159-T164 PolarHBondContact N-OG1 3.23Å; C159-T164 PolarHBondContact O-N 3.3Å; Q162-T164 VanDerWaalsContact C-N 3.35Å; Q162-T164 HydrophobicContact CB-CG2 4.07Å; T164-L166 PolarHBondContact O-N 3.29Å
165	G	96.6	Very high	94.1	Very high	6 Å²	6	35.9 Å²	35.9	6%	0.062	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-14.3	178	0	0	0	0	0	114.9	Q156 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.43Å; G165-E168 WeakPolarHBondContact CA-OE2 3.14Å; G165-E168 PolarHBondContact N-OE2 3.41Å; G165-E168 VanDerWaalsContact N-OE2 3.16Å; G165-G169 PolarHBondContact O-N 3.47Å; G165-G169 VanDerWaalsContact O-N 3.14Å
166	L	93.4	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-48.6	-177.2	-61.9	-175.1	0	0	0	111.2	I33 K36 L37 F124 T158 G163 T164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.85Å; I33-L166 HydrophobicContact CG2-CD1 4.41Å; I33-L166 HydrophobicContact CG2-CD2 4.1Å; K36-L166 HydrophobicContact CB-CD1 4.18Å; K36-L166 HydrophobicContact CG-CD1 3.95Å; L37-L166 HydrophobicContact CD2-CB 4.35Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; F124-L166 HydrophobicContact CE2-CD2 4.48Å; F124-L166 HydrophobicContact CZ-CD2 4.36Å; T158-L166 HydrophobicContact CG2-CD2 3.89Å; G163-L166 PolarHBondContact O-N 3.31Å; T164-L166 PolarHBondContact O-N 3.29Å; L166-G169 PolarHBondContact O-N 3.07Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.98Å
167	Y	91	Very high	93.4	Very high	100 Å²	100	35.7 Å²	35.7	39%	0.392	19%	0.186	S	C	.	.	H	α-helix	trans	-68.8	-36.8	-177.7	-66.4	-71.3	0	0	0	111.8	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CD1 4.48Å; L37-Y167 HydrophobicContact CD2-CE1 4.02Å; Y58-Y167 HydrophobicContact CD2-CD1 4.24Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.42Å; Y58-Y167 HydrophobicContact CE2-CD1 3.42Å; Y58-Y167 VanDerWaalsContact CE2-CD1 3.42Å; Y58-Y167 AromaticContact CE2-CE1 3.73Å; Y58-Y167 HydrophobicContact CE2-CE1 3.73Å; Y58-Y167 AromaticContact CZ-CD1 3.78Å; Y167-L170 PolarHBondContact O-N 2.94Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 VanDerWaalsContact O-CG 3.23Å; Y167-D171 PolarHBondContact O-N 2.87Å
168	E	95.3	Very high	92.7	Very high	104 Å²	104	37.4 Å²	37.4	49%	0.486	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-44.4	177.2	-62.8	88.3	155.6	0	0	111.4	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.14Å; G165-E168 PolarHBondContact N-OE2 3.41Å; G165-E168 VanDerWaalsContact N-OE2 3.16Å; E168-D171 PolarHBondContact O-N 2.78Å; E168-W172 PolarHBondContact O-N 2.73Å
169	G	95.8	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-42.5	175.6	0	0	0	0	0	112.6	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.35Å; G165-G169 PolarHBondContact O-N 3.47Å; G165-G169 VanDerWaalsContact O-N 3.14Å; L166-G169 PolarHBondContact O-N 3.07Å; G169-D171 VanDerWaalsContact C-N 3.34Å; G169-W172 PolarHBondContact O-N 3.19Å; G169-L173 WeakPolarHBondContact O-CB 3.45Å; G169-L173 PolarHBondContact O-N 3.04Å
170	L	91.6	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-34.6	176.7	-69.1	173.9	0	0	0	112.6	L37 Y58 I89 F124 L166 Y167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.72Å; L37-L170 HydrophobicContact CD2-CD1 3.65Å; L37-L170 HydrophobicContact CG-CD1 4.35Å; Y58-L170 HydrophobicContact CD1-CB 3.78Å; Y58-L170 HydrophobicContact CD1-CD1 4.18Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.26Å; I89-L170 HydrophobicContact CD1-CD2 3.84Å; F124-L170 HydrophobicContact CZ-CG 4.4Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.98Å; Y167-L170 PolarHBondContact O-N 2.94Å; L170-L173 PolarHBondContact O-N 3.16Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.28Å
171	D	90.4	Very high	90.8	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-45.9	174.6	-83.9	7.5	0	0	0	111.2	Y58 K59 Y167 E168 G169 S174 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.41Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.27Å; Y58-D171 PolarHBondContact OH-OD1 2.82Å; K59-D171 VanDerWaalsContact CE-OD1 3.32Å; K59-D171 WeakPolarHBondContact CE-OD1 3.1Å; K59-D171 IonicContact NZ-OD1 3.14Å; K59-D171 PolarHBondContact NZ-OD1 2.87Å; K59-D171 IonicContact NZ-OD2 3.88Å; K59-D171 PolarHBondContact NZ-OD2 2.8Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 VanDerWaalsContact O-CG 3.23Å; Y167-D171 PolarHBondContact O-N 2.87Å; E168-D171 PolarHBondContact O-N 2.78Å; G169-D171 VanDerWaalsContact C-N 3.34Å; D171-S174 PolarHBondContact O-N 2.66Å; D171-N175 WeakPolarHBondContact O-CB 3.19Å; D171-N175 PolarHBondContact O-N 2.98Å; D171-N175 PolarHBondContact O-ND2 3.13Å; D171-N175 VanDerWaalsContact O-ND2 3.14Å
172	W	95.2	Very high	90.8	Very high	52 Å²	52	52.9 Å²	52.9	20%	0.197	26%	0.256	C	S	.	.	H	α-helix	trans	-57.6	-49.7	172.8	176.5	87.3	0	0	0	111.3	V120 L122 T152 W153 H154 E168 G169 S174 N175 E176	V120-W172 HydrophobicContact CG1-CH2 3.57Å; V120-W172 HydrophobicContact CG1-CZ3 3.74Å; L122-W172 HydrophobicContact CB-CE3 4.5Å; L122-W172 HydrophobicContact CB-CZ3 4.19Å; L122-W172 HydrophobicContact CD1-CE3 4.07Å; L122-W172 HydrophobicContact CD1-CZ3 4.39Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.94Å; W153-W172 VanDerWaalsContact C-CH2 3.42Å; H154-W172 HydrophobicContact CB-CD2 3.42Å; H154-W172 VanDerWaalsContact CB-CD2 3.42Å; H154-W172 HydrophobicContact CB-CE3 3.52Å; H154-W172 HydrophobicContact CB-CG 4.2Å; H154-W172 HydrophobicContact CB-CH2 3.45Å; H154-W172 VanDerWaalsContact CB-CH2 3.45Å; H154-W172 HydrophobicContact CB-CZ2 3.34Å; H154-W172 HydrophobicContact CB-CZ3 3.54Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.87Å; H154-W172 AromaticContact CG-CD2 3.83Å; H154-W172 AromaticContact CG-CE2 3.95Å; E168-W172 PolarHBondContact O-N 2.73Å; G169-W172 PolarHBondContact O-N 3.19Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.71Å; W172-N175 PolarHBondContact O-N 3.3Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.56Å; W172-E176 PolarHBondContact O-N 3.3Å
173	L	92.3	Very high	90.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-43	-179.4	-176.9	58.9	0	0	0	111.6	I20 I89 V120 L122 G169 L170 N175 E176 L177	I20-L173 HydrophobicContact CD1-CD2 3.76Å; I20-L173 HydrophobicContact CD1-CG 4.22Å; I20-L173 HydrophobicContact CG2-CD2 4.27Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.72Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.67Å; L122-L173 HydrophobicContact CB-CD1 4.45Å; L122-L173 HydrophobicContact CB-CD2 4.22Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 4.11Å; G169-L173 WeakPolarHBondContact O-CB 3.45Å; G169-L173 PolarHBondContact O-N 3.04Å; L170-L173 PolarHBondContact O-N 3.16Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.69Å; L173-E176 PolarHBondContact O-N 2.98Å; L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.49Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.4Å
174	S	87.5	Confident	90.6	Very high	5 Å²	5	51.7 Å²	51.7	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-45.3	174.9	-168.7	0	0	0	0	112.4	N60 L170 D171 W172 L177 S178	N60-S174 PolarHBondContact OD1-OG 3.11Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.28Å; D171-S174 PolarHBondContact O-N 2.66Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.71Å; S174-L177 PolarHBondContact O-N 3Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.2Å
175	N	90.3	Very high	90.3	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-44.7	-179.9	-69.5	-23.6	0	0	0	110.7	D171 W172 L173 S178 K179	D171-N175 WeakPolarHBondContact O-CB 3.19Å; D171-N175 PolarHBondContact O-N 2.98Å; D171-N175 PolarHBondContact O-ND2 3.13Å; D171-N175 VanDerWaalsContact O-ND2 3.14Å; W172-N175 PolarHBondContact O-N 3.3Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.69Å; N175-S178 PolarHBondContact O-N 2.81Å; N175-S178 PolarHBondContact O-OG 2.96Å; N175-K179 WeakPolarHBondContact O-CG 3.14Å; N175-K179 PolarHBondContact O-N 2.86Å
176	E	92.9	Very high	89.9	Confident	38 Å²	38	53.3 Å²	53.3	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-41	177.2	-66.9	-47.9	135	0	0	112.9	V120 T152 W172 L173 S178 K179	V120-E176 HydrophobicContact CG1-CB 4Å; V120-E176 HydrophobicContact CG2-CB 4.41Å; T152-E176 HydrophobicContact CG2-CB 4.5Å; T152-E176 HydrophobicContact CG2-CG 4.05Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.56Å; W172-E176 PolarHBondContact O-N 3.3Å; L173-E176 PolarHBondContact O-N 2.98Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.42Å; E176-K179 PolarHBondContact O-N 3.42Å; E176-K179 IonicContact OE1-NZ 2.63Å; E176-K179 PolarHBondContact OE1-NZ 2.88Å; E176-K179 IonicContact OE2-NZ 2.88Å; E176-K179 PolarHBondContact OE2-NZ 3.26Å
177	L	88.2	Confident	89.6	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-29.4	177	-69.1	174.3	0	0	0	112.6	M18 I20 Q86 V120 L173 S174 K179 R180	M18-L177 HydrophobicContact CB-CD1 4.33Å; M18-L177 HydrophobicContact CG-CD1 4.48Å; I20-L177 HydrophobicContact CD1-CD1 3.66Å; I20-L177 HydrophobicContact CG1-CD1 4.12Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.37Å; V120-L177 HydrophobicContact CB-CD2 4.14Å; V120-L177 HydrophobicContact CG2-CD2 3.84Å; L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.49Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.4Å; S174-L177 PolarHBondContact O-N 3Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 2.73Å; L177-R180 PolarHBondContact O-N 2.71Å
178	S	85.8	Confident	89.5	Confident	72 Å²	72	53.8 Å²	53.8	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-71.7	-20.2	177.8	75.6	0	0	0	0	114	S174 N175 E176 R180	S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.2Å; N175-S178 PolarHBondContact O-N 2.81Å; N175-S178 PolarHBondContact O-OG 2.96Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.42Å; S178-R180 PolarHBondContact O-N 3.37Å
179	K	86	Confident	89.1	Confident	145 Å²	145	49.7 Å²	49.7	63%	0.63	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.9	176.4	-62.7	172.1	-165.2	169.3	0	112.7	N175 E176 L177	N175-K179 WeakPolarHBondContact O-CG 3.14Å; N175-K179 PolarHBondContact O-N 2.86Å; E176-K179 PolarHBondContact O-N 3.42Å; E176-K179 IonicContact OE1-NZ 2.63Å; E176-K179 PolarHBondContact OE1-NZ 2.88Å; E176-K179 IonicContact OE2-NZ 2.88Å; E176-K179 PolarHBondContact OE2-NZ 3.26Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 2.73Å
180	R	72.7	Confident	88.4	Confident	143 Å²	143	54.2 Å²	54.2	54%	0.54	26%	0.258	S	S	.	.			trans	-109.2	0	-177.4	-62.6	-177.7	175.5	-136.5	12.3	112.1	K16 D118 L177 S178	K16-R180 PolarHBondContact NZ-OXT 3.29Å; D118-R180 PolarHBondContact O-NH1 3.23Å; D118-R180 PolarHBondContact O-NH2 3.14Å; D118-R180 VanDerWaalsContact O-NH2 3.11Å; L177-R180 PolarHBondContact O-N 2.71Å; S178-R180 PolarHBondContact O-N 3.37Å

Retrieved 180 of 180 residues in 87.1 ms (Link to these results)

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