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ADP-ribosylation factor

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

AlphaFold DB (A0A4W5NJ31), UniProt , Accession A0A060WBB5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490207, 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	Very low	45.8	Very low	245 Å²	245	130.3 Å²	130.3	100%	1.207	72%	0.72	S	S	*	*				0	106.9	0	-60.1	-160.4	-71.8	0	0	106.2
2	G	46	Very low	45.4	Very low	77 Å²	77	130 Å²	130	79%	0.794	72%	0.715	S	S	*	*			cis	140.9	62	34.3	0	0	0	0	0	105.4
3	L	48.2	Very low	45.9	Very low	158 Å²	158	132.5 Å²	132.5	83%	0.827	72%	0.715	S	S	*	*			trans	-133.9	141.1	-177.9	-67.5	170.2	0	0	0	106.6
4	T	51.4	Low	46.6	Very low	111 Å²	111	127.8 Å²	127.8	68%	0.681	71%	0.713	S	S	*	*	S	Bend	trans	92.7	44.6	174.4	70.2	0	0	0	0	119.5
5	I	50.1	Low	47.5	Very low	124 Å²	124	126.7 Å²	126.7	64%	0.636	70%	0.698	S	S	*	*	S	Bend	trans	-122.9	-25.4	162.7	-59.3	-179.7	0	0	0	113.2	F9	I5-F9 HydrophobicContact CG2-CD2 3.75Å; I5-F9 HydrophobicContact CG2-CE2 4.13Å; I5-F9 PolarHBondContact O-N 3.31Å
6	S	48.4	Very low	48.7	Very low	105 Å²	105	124.9 Å²	124.9	73%	0.734	68%	0.681	S	S	*	*	H	α-helix	trans	-70.9	-35.2	-174.8	56	0	0	0	0	115
7	S	44.1	Very low	49.9	Very low	75 Å²	75	126.6 Å²	126.6	52%	0.524	68%	0.683	S	S	.	*	H	α-helix	trans	-82.8	-17.3	-176.7	57.5	0	0	0	0	114.5	S10	S7-S10 PolarHBondContact O-OG 3.17Å
8	I	46.8	Very low	51.5	Low	103 Å²	103	119.9 Å²	119.9	53%	0.528	65%	0.647	S	S	.	*	H	α-helix	trans	-90.7	-32.7	176.4	-63.7	173.4	0	0	0	110.1	S10 R11 L12	I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.37Å; I8-R11 PolarHBondContact O-N 3.42Å; I8-L12 HydrophobicContact CG2-CD1 4.22Å; I8-L12 PolarHBondContact O-N 3.2Å
9	F	42.3	Very low	53.3	Low	121 Å²	121	118.2 Å²	118.2	53%	0.531	63%	0.63	S	S	.	*	H	α-helix	trans	-64.5	-33.9	175.1	-111.2	-93	0	0	0	113.1	I5 R11 L12 F13	I5-F9 HydrophobicContact CG2-CD2 3.75Å; I5-F9 HydrophobicContact CG2-CE2 4.13Å; I5-F9 PolarHBondContact O-N 3.31Å; F9-R11 VanDerWaalsContact C-N 3.26Å; F9-R11 PolarHBondContact O-N 3.34Å; F9-L12 PolarHBondContact O-N 3.27Å; F9-L12 VanDerWaalsContact O-N 3.14Å; F9-F13 HydrophobicContact CD1-CE2 4.1Å; F9-F13 WeakPolarHBondContact O-CD2 3.47Å; F9-F13 PolarHBondContact O-N 3.14Å
10	S	44.3	Very low	55	Low	85 Å²	85	112.3 Å²	112.3	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-68.8	-21.1	176	60.1	0	0	0	0	114	S7 I8	S7-S10 PolarHBondContact O-OG 3.17Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.37Å
11	R	42.8	Very low	56.6	Low	229 Å²	229	107 Å²	107	86%	0.864	57%	0.57	S	S	*	*	H	α-helix	trans	-86.8	-12.8	172.3	-75.7	-176.7	175.2	177.9	-1.1	113.6	I8 F9	I8-R11 PolarHBondContact O-N 3.42Å; F9-R11 VanDerWaalsContact C-N 3.26Å; F9-R11 PolarHBondContact O-N 3.34Å
12	L	41.7	Very low	59.1	Low	127 Å²	127	95.3 Å²	95.3	67%	0.665	51%	0.513	S	S	*	.	H	α-helix	trans	-97.3	-13.9	178.7	-84	161.8	0	0	0	113.5	I8 F9 G14	I8-L12 HydrophobicContact CG2-CD1 4.22Å; I8-L12 PolarHBondContact O-N 3.2Å; F9-L12 PolarHBondContact O-N 3.27Å; F9-L12 VanDerWaalsContact O-N 3.14Å; L12-G14 PolarHBondContact O-N 3.09Å; L12-G14 VanDerWaalsContact O-N 3.15Å
13	F	51.7	Low	61.3	Low	163 Å²	163	91.7 Å²	91.7	72%	0.715	48%	0.475	S	S	*	.	S	Bend	trans	-74.8	100.6	165.9	-89.5	-90.9	0	0	0	108.8	F9	F9-F13 HydrophobicContact CD1-CE2 4.1Å; F9-F13 WeakPolarHBondContact O-CD2 3.47Å; F9-F13 PolarHBondContact O-N 3.14Å
14	G	56	Low	63.4	Low	66 Å²	66	84.1 Å²	84.1	68%	0.68	44%	0.436	S	S	*	.			trans	-53.3	151.5	175.8	0	0	0	0	0	112.2	L12 K16	L12-G14 PolarHBondContact O-N 3.09Å; L12-G14 VanDerWaalsContact O-N 3.15Å; G14-K16 PolarHBondContact O-N 3.15Å; G14-K16 VanDerWaalsContact O-N 3.09Å
15	K	59	Low	65.4	Low	111 Å²	111	79.1 Å²	79.1	48%	0.483	41%	0.405	S	S	.	.			trans	-52.4	118.5	173.9	-65.8	-178	-177.5	177.9	0	108.8	Q17 E57	K15-Q17 PolarHBondContact O-N 2.94Å; K15-Q17 VanDerWaalsContact O-N 3.15Å; K15-E57 IonicContact NZ-OE1 2.66Å; K15-E57 PolarHBondContact NZ-OE1 3.11Å; K15-E57 IonicContact NZ-OE2 2.64Å; K15-E57 PolarHBondContact NZ-OE2 2.83Å
16	K	67.3	Low	67.3	Low	99 Å²	99	75.5 Å²	75.5	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	107.4	173.1	-169.4	167.4	171.3	-176.3	0	106.3	G14 M18 R180	G14-K16 PolarHBondContact O-N 3.15Å; G14-K16 VanDerWaalsContact O-N 3.09Å; K16-M18 HydrophobicContact CB-CE 4.28Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.18Å; K16-M18 VanDerWaalsContact CE-CE 3.41Å; K16-M18 HydrophobicContact CG-CE 3.65Å; K16-M18 HydrophobicContact CG-SD 3.97Å; K16-M18 PolarHBondContact O-N 2.64Å; K16-R180 PolarHBondContact NZ-OXT 3.16Å
17	Q	68.6	Low	69.3	Low	154 Å²	154	73.7 Å²	73.7	72%	0.72	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.1	173.8	-66.5	-169.8	-19.9	0	0	107.9	K15 C62	K15-Q17 PolarHBondContact O-N 2.94Å; K15-Q17 VanDerWaalsContact O-N 3.15Å; Q17-C62 HydrophobicContact CG-CB 4.23Å
18	M	79.9	Confident	71.6	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.8	179.8	-62.5	-69	-161.4	0	0	108.9	K16 I61 C62 F63 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.28Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.18Å; K16-M18 VanDerWaalsContact CE-CE 3.41Å; K16-M18 HydrophobicContact CG-CE 3.65Å; K16-M18 HydrophobicContact CG-SD 3.97Å; K16-M18 PolarHBondContact O-N 2.64Å; M18-I61 HydrophobicContact CB-CG2 3.7Å; M18-I61 HydrophobicContact CG-CG2 3.43Å; M18-I61 VanDerWaalsContact CG-CG2 3.43Å; M18-C62 PolarHBondContact N-O 2.88Å; M18-F63 HydrophobicContact CB-CD1 3.97Å; M18-F63 HydrophobicContact CB-CE1 4.03Å; M18-F63 WeakPolarHBondContact O-CA 3.24Å; M18-Q86 PolarHBondContact SD-NE2 2.81Å; M18-L177 HydrophobicContact CE-CB 4.03Å; M18-L177 WeakPolarHBondContact CE-O 3.47Å
19	R	84.4	Confident	73.8	Confident	86 Å²	86	65.8 Å²	65.8	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119	173.6	-175.8	176.4	-69.2	-139.5	-6	109.7	Q83 N84 Q86 G87	R19-Q83 WeakPolarHBondContact CD-O 3.49Å; R19-Q83 PolarHBondContact NH1-O 3.34Å; R19-N84 WeakPolarHBondContact CB-O 3.35Å; R19-Q86 VanDerWaalsContact N-OE1 3.16Å; R19-Q86 PolarHBondContact O-N 2.94Å; R19-G87 PolarHBondContact O-N 3.23Å
20	I	87.7	Confident	76.1	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.4	176.6	-68.2	-168.2	0	0	0	111	F63 T64 G87 I89 L173 L177	I20-F63 HydrophobicContact CB-CB 4.36Å; I20-F63 HydrophobicContact CB-CD1 4.24Å; I20-F63 HydrophobicContact CD1-CB 4.38Å; I20-F63 HydrophobicContact CD1-CD1 3.05Å; I20-F63 HydrophobicContact CD1-CD2 4.44Å; I20-F63 HydrophobicContact CD1-CE1 3.09Å; I20-F63 HydrophobicContact CD1-CE2 4.49Å; I20-F63 HydrophobicContact CD1-CG 3.74Å; I20-F63 HydrophobicContact CD1-CZ 3.87Å; I20-F63 HydrophobicContact CG1-CB 4.47Å; I20-F63 HydrophobicContact CG1-CD1 3.45Å; I20-F63 VanDerWaalsContact CG1-CD1 3.45Å; I20-F63 HydrophobicContact CG1-CE1 3.89Å; I20-F63 HydrophobicContact CG1-CG 4.24Å; I20-T64 CarbonylContact O-C 3.46Å; I20-G87 CarbonylContact C-O 3.54Å; I20-G87 VanDerWaalsContact CA-O 3.24Å; I20-G87 WeakPolarHBondContact CA-O 3.05Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.71Å; I20-L173 HydrophobicContact CD1-CD2 3.59Å; I20-L173 HydrophobicContact CD1-CG 4.21Å; I20-L177 HydrophobicContact CD1-CD1 4Å; I20-L177 HydrophobicContact CG1-CD1 4.4Å
21	L	89.3	Confident	78.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.4	172.7	-179.2	54.1	0	0	0	109.7	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.67Å; L21-V23 HydrophobicContact CD2-CG1 4.19Å; L21-V23 HydrophobicContact CG-CG1 3.73Å; L21-V23 HydrophobicContact CG-CG2 4.38Å; L21-W66 HydrophobicContact CD1-CB 3.61Å; L21-W66 HydrophobicContact CD1-CG 4.1Å; L21-V68 HydrophobicContact CD1-CG2 4.42Å; L21-F82 HydrophobicContact CD2-CD1 3.5Å; L21-F82 VanDerWaalsContact CD2-CD1 3.5Å; L21-F82 HydrophobicContact CD2-CE1 3.64Å; L21-T85 HydrophobicContact CB-CG2 3.71Å; L21-G87 PolarHBondContact N-O 2.83Å; L21-L88 HydrophobicContact CB-CD1 4.06Å; L21-L88 HydrophobicContact CD2-CD1 4.22Å; L21-L88 HydrophobicContact CG-CD1 4.07Å; L21-I89 PolarHBondContact O-N 3.11Å; L21-M110 HydrophobicContact CD2-CE 4.06Å
22	M	91.3	Very high	80.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.6	172.1	-173.9	-175.1	-65.9	0	0	110.5	K30 I33 V65 I89 V91	M22-K30 HydrophobicContact CG-CB 4.43Å; M22-K30 HydrophobicContact CG-CG 4.32Å; M22-K30 HydrophobicContact SD-CB 4.09Å; M22-I33 HydrophobicContact CE-CB 4.47Å; M22-I33 HydrophobicContact CE-CG2 3.71Å; M22-I33 HydrophobicContact SD-CB 4.32Å; M22-I33 HydrophobicContact SD-CG2 4.2Å; M22-V65 HydrophobicContact CB-CG1 3.44Å; M22-V65 VanDerWaalsContact CB-CG1 3.44Å; M22-V65 HydrophobicContact CE-CG1 4.11Å; M22-V65 HydrophobicContact CG-CG1 4.42Å; M22-V65 HydrophobicContact SD-CG1 4.25Å; M22-I89 CarbonylContact C-O 3.49Å; M22-I89 VanDerWaalsContact CA-O 3.29Å; M22-I89 WeakPolarHBondContact CA-O 3.42Å; M22-I89 HydrophobicContact CB-CB 4.24Å; M22-I89 HydrophobicContact CE-CD1 3.97Å; M22-I89 HydrophobicContact CE-CG2 4.2Å; M22-I89 HydrophobicContact CG-CB 4.09Å; M22-I89 HydrophobicContact CG-CG2 4.01Å; M22-V91 HydrophobicContact CG-CG2 3.79Å; M22-V91 HydrophobicContact SD-CG2 4.08Å
23	V	91.6	Very high	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	175.5	-173.2	-73.2	0	0	0	0	110.3	L21 K30 V68 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.67Å; L21-V23 HydrophobicContact CD2-CG1 4.19Å; L21-V23 HydrophobicContact CG-CG1 3.73Å; L21-V23 HydrophobicContact CG-CG2 4.38Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; V23-V68 HydrophobicContact CG1-CG2 4.39Å; V23-W78 HydrophobicContact CB-CD2 4.34Å; V23-W78 HydrophobicContact CB-CE3 4.43Å; V23-W78 HydrophobicContact CB-CZ2 4.41Å; V23-W78 HydrophobicContact CG1-CD2 4.09Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; V23-L88 HydrophobicContact CG2-CD1 3.55Å; V23-I89 PolarHBondContact N-O 3.42Å; V23-F90 HydrophobicContact CG2-CD2 3.93Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 CarbonylContact O-C 3.58Å; V23-F90 WeakPolarHBondContact O-CA 3.2Å; V23-V91 PolarHBondContact O-N 2.78Å; V23-M110 HydrophobicContact CB-CE 4.44Å; V23-M110 HydrophobicContact CB-SD 4.43Å; V23-M110 HydrophobicContact CG2-CE 3.55Å; V23-M110 HydrophobicContact CG2-SD 3.73Å
24	G	92.9	Very high	84.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.			trans	143.9	170.5	-172.3	0	0	0	0	0	110	K30 G70 W78	G24-K30 PolarHBondContact O-NZ 3.46Å; G24-G70 WeakPolarHBondContact O-CA 3.41Å; G24-W78 WeakPolarHBondContact O-CZ2 3.49Å
25	L	92.7	Very high	85.6	Confident	6 Å²	6	34 Å²	34	3%	0.031	17%	0.168	C	C	.	.	S	Bend	trans	-63.2	163.6	-177.3	-53.7	-164.2	0	0	0	112.2	A28 K30 R99 E102 S103 E106	L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.08Å; L25-A28 PolarHBondContact O-N 2.7Å; L25-K30 PolarHBondContact O-NZ 3.31Å; L25-R99 HydrophobicContact CD1-CB 3.9Å; L25-E102 HydrophobicContact CD1-CB 4.17Å; L25-E102 HydrophobicContact CD1-CG 3.98Å; L25-S103 WeakPolarHBondContact CD1-OG 3.38Å; L25-S103 WeakPolarHBondContact CG-OG 3.31Å; L25-E106 HydrophobicContact CD2-CG 4.25Å
26	D	89.6	Confident	86.9	Confident	47 Å²	47	30 Å²	30	25%	0.251	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	152.6	170.9	57.8	-81.1	0	0	0	110.9	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.28Å; D26-G70 PolarHBondContact N-O 2.57Å; D26-Q71 HydrophobicContact CB-CG 3.98Å; D26-R75 IonicContact OD1-NH2 3.69Å; D26-R99 IonicContact OD1-NH1 2.73Å; D26-R99 PolarHBondContact OD1-NH1 2.97Å; D26-R99 IonicContact OD2-CZ 2.65Å; D26-R99 IonicContact OD2-NH1 3.88Å; D26-R99 PolarHBondContact OD2-NH1 2.98Å; D26-R99 IonicContact OD2-NH2 2.65Å
27	A	90.6	Very high	87.5	Confident	67 Å²	67	26.4 Å²	26.4	55%	0.554	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	1.3	-174.8	0	0	0	0	0	116.5	G29 K127	A27-G29 PolarHBondContact O-N 2.98Å; A27-K127 WeakPolarHBondContact O-CE 3.49Å; A27-K127 PolarHBondContact O-NZ 3.3Å
28	A	94.1	Very high	87.8	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.122	C	C	.	.	S	Bend	trans	-64.4	-20.5	178.2	0	0	0	0	0	114.4	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.08Å; L25-A28 PolarHBondContact O-N 2.7Å; D26-A28 PolarHBondContact O-N 3.28Å; A28-V91 HydrophobicContact CB-CB 4.38Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 2.95Å; A28-V91 WeakPolarHBondContact O-CG1 3.08Å; A28-N126 PolarHBondContact O-ND2 3.27Å
29	G	92.6	Very high	87.2	Confident	11 Å²	11	27.7 Å²	27.7	11%	0.113	14%	0.143	C	C	.	.	S	Bend	trans	106	14.7	174.8	0	0	0	0	0	115.9	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 2.98Å; G29-T31 PolarHBondContact O-N 3.4Å; G29-T32 WeakPolarHBondContact O-CB 3.16Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-I33 WeakPolarHBondContact O-CG1 3.07Å; G29-I33 PolarHBondContact O-N 3.15Å
30	K	90.6	Very high	86	Confident	8 Å²	8	25.9 Å²	25.9	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-51.1	-52.9	177.1	-60.2	-177.7	-62.1	-76.7	0	113.1	M22 V23 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.43Å; M22-K30 HydrophobicContact CG-CG 4.32Å; M22-K30 HydrophobicContact SD-CB 4.09Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; G24-K30 PolarHBondContact O-NZ 3.46Å; L25-K30 PolarHBondContact O-NZ 3.31Å; K30-T32 VanDerWaalsContact C-N 3.34Å; K30-T32 PolarHBondContact O-N 3.42Å; K30-I33 WeakPolarHBondContact O-CB 2.97Å; K30-I33 PolarHBondContact O-N 3.35Å; K30-L34 WeakPolarHBondContact O-CB 3.24Å; K30-L34 PolarHBondContact O-N 3.47Å; K30-D67 WeakPolarHBondContact CB-OD1 3.17Å; K30-D67 WeakPolarHBondContact CE-OD1 3.1Å; K30-V68 WeakPolarHBondContact CE-O 3.21Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG1 4.45Å; K30-V91 HydrophobicContact CG-CG2 3.82Å
31	T	85.4	Confident	84	Confident	21 Å²	21	32.5 Å²	32.5	13%	0.129	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-43.2	178.4	-42.2	0	0	0	0	111.1	G29 I33 L34 Y35 T45 D67	G29-T31 PolarHBondContact O-N 3.4Å; T31-I33 VanDerWaalsContact C-N 3.33Å; T31-I33 PolarHBondContact O-N 2.66Å; T31-L34 WeakPolarHBondContact O-CB 3.43Å; T31-L34 PolarHBondContact O-N 2.95Å; T31-Y35 HydrophobicContact CG2-CD2 3.67Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 VanDerWaalsContact O-CD2 3.28Å; T31-Y35 WeakPolarHBondContact O-CD2 3.29Å; T31-Y35 PolarHBondContact O-N 3.2Å; T31-T45 HydrophobicContact CG2-CG2 3.71Å; T31-D67 WeakPolarHBondContact CB-OD2 3.4Å; T31-D67 PolarHBondContact OG1-OD2 3.13Å
32	T	89.6	Confident	82.2	Confident	20 Å²	20	37.2 Å²	37.2	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-44.2	177	-46.9	0	0	0	0	111.6	G29 K30 K36 T45 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.16Å; G29-T32 PolarHBondContact O-N 3.45Å; K30-T32 VanDerWaalsContact C-N 3.34Å; K30-T32 PolarHBondContact O-N 3.42Å; T32-K36 VanDerWaalsContact O-CB 3.25Å; T32-K36 WeakPolarHBondContact O-CB 3.31Å; T32-K36 PolarHBondContact O-N 2.89Å; T32-T45 PolarHBondContact OG1-OG1 2.66Å; T32-A160 HydrophobicContact CG2-CB 3.79Å; T32-T161 HydrophobicContact CG2-CG2 4.17Å
33	I	90.4	Very high	80	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-49.5	174.7	-65.9	170.7	0	0	0	110.1	M22 G29 K30 T31 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CB 4.47Å; M22-I33 HydrophobicContact CE-CG2 3.71Å; M22-I33 HydrophobicContact SD-CB 4.32Å; M22-I33 HydrophobicContact SD-CG2 4.2Å; G29-I33 WeakPolarHBondContact O-CG1 3.07Å; G29-I33 PolarHBondContact O-N 3.15Å; K30-I33 WeakPolarHBondContact O-CB 2.97Å; K30-I33 PolarHBondContact O-N 3.35Å; T31-I33 VanDerWaalsContact C-N 3.33Å; T31-I33 PolarHBondContact O-N 2.66Å; I33-Y35 PolarHBondContact O-N 2.96Å; I33-K36 PolarHBondContact O-N 3.06Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.34Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.39Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-V91 HydrophobicContact CD1-CG1 3.79Å; I33-V91 HydrophobicContact CD1-CG2 3.92Å; I33-F124 HydrophobicContact CD1-CB 4.47Å; I33-F124 HydrophobicContact CD1-CD2 3.87Å; I33-F124 HydrophobicContact CD1-CE2 4.48Å; I33-F124 HydrophobicContact CD1-CG 4.43Å; I33-F124 HydrophobicContact CG2-CE2 4.36Å; I33-A160 HydrophobicContact CD1-CB 4.39Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; I33-L166 HydrophobicContact CD1-CD2 4.19Å; I33-L166 HydrophobicContact CG1-CD2 3.86Å; I33-L166 HydrophobicContact CG2-CD1 4.35Å; I33-L166 HydrophobicContact CG2-CD2 4.03Å
34	L	86.2	Confident	77.9	Confident	1 Å²	1	46 Å²	46	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-49.3	-178.8	-178.4	67.6	0	0	0	112.3	K30 T31 L37 K38 E54 V56 V65 D67	K30-L34 WeakPolarHBondContact O-CB 3.24Å; K30-L34 PolarHBondContact O-N 3.47Å; T31-L34 WeakPolarHBondContact O-CB 3.43Å; T31-L34 PolarHBondContact O-N 2.95Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-K38 VanDerWaalsContact O-CB 3.32Å; L34-K38 WeakPolarHBondContact O-CB 3.44Å; L34-K38 PolarHBondContact O-N 3.5Å; L34-E54 HydrophobicContact CD1-CB 3.84Å; L34-E54 HydrophobicContact CD2-CB 3.89Å; L34-E54 HydrophobicContact CD2-CG 3.79Å; L34-E54 HydrophobicContact CG-CB 4.23Å; L34-E54 HydrophobicContact CG-CG 4.49Å; L34-V56 HydrophobicContact CD1-CG2 3.64Å; L34-V65 HydrophobicContact CD1-CB 3.7Å; L34-V65 HydrophobicContact CD1-CG1 3.82Å; L34-V65 HydrophobicContact CD1-CG2 4.08Å; L34-D67 HydrophobicContact CD2-CB 4.08Å
35	Y	83	Confident	75.7	Confident	72 Å²	72	48.6 Å²	48.6	28%	0.282	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-38.3	179.6	-83.8	-95.8	0	0	0	112.2	T31 I33 L37 K38 L39 V43	T31-Y35 HydrophobicContact CG2-CD2 3.67Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 VanDerWaalsContact O-CD2 3.28Å; T31-Y35 WeakPolarHBondContact O-CD2 3.29Å; T31-Y35 PolarHBondContact O-N 3.2Å; I33-Y35 PolarHBondContact O-N 2.96Å; Y35-L37 VanDerWaalsContact C-N 3.26Å; Y35-L37 PolarHBondContact O-N 2.78Å; Y35-K38 PolarHBondContact O-N 3.4Å; Y35-L39 HydrophobicContact CD1-CD1 3.76Å; Y35-L39 HydrophobicContact CE1-CD1 4.43Å; Y35-L39 WeakPolarHBondContact O-CB 3.13Å; Y35-L39 PolarHBondContact O-N 3.45Å; Y35-V43 HydrophobicContact CD1-CB 4.1Å; Y35-V43 HydrophobicContact CD1-CG1 4.26Å; Y35-V43 HydrophobicContact CD1-CG2 3.92Å; Y35-V43 HydrophobicContact CG-CB 4.26Å; Y35-V43 HydrophobicContact CG-CG2 4.39Å
36	K	86.3	Confident	73.6	Confident	28 Å²	28	55.3 Å²	55.3	12%	0.122	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-39.9	175.3	-170.4	68.3	175.2	-176.4	0	111.4	T32 I33 G40 I42 L166	T32-K36 VanDerWaalsContact O-CB 3.25Å; T32-K36 WeakPolarHBondContact O-CB 3.31Å; T32-K36 PolarHBondContact O-N 2.89Å; I33-K36 PolarHBondContact O-N 3.06Å; K36-G40 WeakPolarHBondContact O-CA 3.45Å; K36-G40 PolarHBondContact O-N 2.97Å; K36-I42 HydrophobicContact CD-CG1 4.22Å; K36-L166 HydrophobicContact CB-CD1 4.15Å; K36-L166 HydrophobicContact CG-CD1 3.87Å
37	L	81.8	Confident	71.6	Confident	24 Å²	24	58.4 Å²	58.4	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-74.4	-37.7	176.7	-64.2	171.4	0	0	0	112.9	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.34Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.39Å; I33-L37 PolarHBondContact O-N 3.44Å; L34-L37 PolarHBondContact O-N 3.35Å; Y35-L37 VanDerWaalsContact C-N 3.26Å; Y35-L37 PolarHBondContact O-N 2.78Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; L37-L166 HydrophobicContact CD2-CB 4.44Å; L37-Y167 HydrophobicContact CD2-CD1 4.47Å; L37-Y167 HydrophobicContact CD2-CE1 4.06Å; L37-L170 HydrophobicContact CD1-CD1 3.74Å; L37-L170 HydrophobicContact CD2-CD1 3.46Å; L37-L170 VanDerWaalsContact CD2-CD1 3.46Å; L37-L170 HydrophobicContact CG-CD1 4.24Å
38	K	74.6	Confident	69.8	Low	94 Å²	94	57.9 Å²	57.9	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-74.9	-39.4	-176.5	-174	173.3	175.8	178.3	0	113.3	L34 Y35 E54	L34-K38 VanDerWaalsContact O-CB 3.32Å; L34-K38 WeakPolarHBondContact O-CB 3.44Å; L34-K38 PolarHBondContact O-N 3.5Å; Y35-K38 PolarHBondContact O-N 3.4Å; K38-E54 IonicContact NZ-OE1 2.76Å; K38-E54 PolarHBondContact NZ-OE1 2.92Å; K38-E54 IonicContact NZ-OE2 2.71Å; K38-E54 PolarHBondContact NZ-OE2 3.44Å
39	L	65.9	Low	67.5	Low	92 Å²	92	66 Å²	66	48%	0.482	37%	0.365	S	S	.	.	H	α-helix	trans	-110.7	-12.2	-170	-58.6	178.1	0	0	0	113.5	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.76Å; Y35-L39 HydrophobicContact CE1-CD1 4.43Å; Y35-L39 WeakPolarHBondContact O-CB 3.13Å; Y35-L39 PolarHBondContact O-N 3.45Å; L39-E41 HydrophobicContact CB-CB 4.45Å; L39-E41 PolarHBondContact O-N 3.41Å; L39-E41 VanDerWaalsContact O-N 3.12Å; L39-V43 HydrophobicContact CD1-CG2 3.77Å
40	G	60	Low	65.7	Low	49 Å²	49	67 Å²	67	51%	0.505	38%	0.376	S	S	.	.	S	Bend	trans	68.8	-2.6	-169.2	0	0	0	0	0	113.9	K36	K36-G40 WeakPolarHBondContact O-CA 3.45Å; K36-G40 PolarHBondContact O-N 2.97Å
41	E	46.7	Very low	64.4	Low	139 Å²	139	71.2 Å²	71.2	65%	0.65	39%	0.394	S	S	*	.	S	Bend	trans	-116	158.2	-173.9	-67.2	-171.4	170.2	0	0	112.6	L39 V43	L39-E41 HydrophobicContact CB-CB 4.45Å; L39-E41 PolarHBondContact O-N 3.41Å; L39-E41 VanDerWaalsContact O-N 3.12Å; E41-V43 PolarHBondContact O-N 2.94Å
42	I	49.4	Very low	63.4	Low	100 Å²	100	72.2 Å²	72.2	51%	0.513	40%	0.399	S	S	.	.			trans	-86	108.3	178.2	-50.7	176.4	0	0	0	108.1	K36 T161	K36-I42 HydrophobicContact CD-CG1 4.22Å; I42-T161 WeakPolarHBondContact CD1-O 3.16Å; I42-T161 WeakPolarHBondContact CG1-O 3.34Å
43	V	46.2	Very low	62.1	Low	50 Å²	50	74.4 Å²	74.4	30%	0.303	41%	0.412	S	S	.	.			trans	-99.6	123.4	173.2	-175.6	0	0	0	0	109.2	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD1-CB 4.1Å; Y35-V43 HydrophobicContact CD1-CG1 4.26Å; Y35-V43 HydrophobicContact CD1-CG2 3.92Å; Y35-V43 HydrophobicContact CG-CB 4.26Å; Y35-V43 HydrophobicContact CG-CG2 4.39Å; L39-V43 HydrophobicContact CD1-CG2 3.77Å; E41-V43 PolarHBondContact O-N 2.94Å; V43-T45 PolarHBondContact O-N 3.48Å
44	T	46.4	Very low	61	Low	136 Å²	136	76 Å²	76	83%	0.834	42%	0.42	S	S	*	.			trans	-67.6	115.6	171.2	-42.8	0	0	0	0	108.8
45	T	48.2	Very low	60	Low	53 Å²	53	79.6 Å²	79.6	33%	0.325	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-93.1	135.2	-174.7	57.9	0	0	0	0	111.7	T31 T32 V43	T31-T45 HydrophobicContact CG2-CG2 3.71Å; T32-T45 PolarHBondContact OG1-OG1 2.66Å; V43-T45 PolarHBondContact O-N 3.48Å
46	I	48.8	Very low	59.4	Low	148 Å²	148	76.5 Å²	76.5	76%	0.759	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-89.8	144.2	166.4	-61.3	173.7	0	0	0	107.9	T48	I46-T48 PolarHBondContact O-N 2.79Å
47	P	47.2	Very low	58.6	Low	112 Å²	112	80.9 Å²	80.9	73%	0.727	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-50.8	123.4	177	-27.5	34.7	0	0	0	112.4
48	T	52.6	Low	58.1	Low	56 Å²	56	81.3 Å²	81.3	34%	0.344	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-79.7	132.1	-173.5	-14.8	0	0	0	0	111.3	I46	I46-T48 PolarHBondContact O-N 2.79Å
49	I	46.5	Very low	57.9	Low	172 Å²	172	82.6 Å²	82.6	88%	0.882	46%	0.457	S	S	*	.			trans	-94.4	112.1	166.3	-60.5	174.4	0	0	0	107.3
50	G	54.3	Low	57.6	Low	33 Å²	33	83 Å²	83	34%	0.34	46%	0.459	S	S	.	.	S	Bend	trans	97.4	-174.6	175.4	0	0	0	0	0	115.5
51	F	62.2	Low	57.7	Low	95 Å²	95	80.9 Å²	80.9	42%	0.417	44%	0.436	S	S	.	.			trans	-88.9	133.9	-171.2	-57.1	-94.8	0	0	0	111.6	V68 L77 Y81	F51-V68 HydrophobicContact CD1-CG1 3.66Å; F51-V68 HydrophobicContact CE1-CG1 3.73Å; F51-L77 HydrophobicContact CE1-CB 3.35Å; F51-L77 HydrophobicContact CE1-CD1 3.93Å; F51-L77 HydrophobicContact CE1-CG 4.14Å; F51-L77 HydrophobicContact CE2-CD1 3.73Å; F51-L77 HydrophobicContact CZ-CB 3.29Å; F51-L77 HydrophobicContact CZ-CD1 3.11Å; F51-L77 HydrophobicContact CZ-CD2 3.97Å; F51-L77 HydrophobicContact CZ-CG 3.56Å; F51-Y81 AromaticContact CD1-CE2 3.73Å; F51-Y81 HydrophobicContact CD1-CE2 3.73Å; F51-Y81 AromaticContact CD1-CZ 3.95Å; F51-Y81 VanDerWaalsContact CD1-OH 3.25Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.28Å; F51-Y81 AromaticContact CE1-CE2 3.78Å; F51-Y81 HydrophobicContact CE1-CE2 3.78Å
52	N	64.1	Low	58.5	Low	43 Å²	43	74.7 Å²	74.7	23%	0.23	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.2	169.6	-163.9	35	0	0	0	110.4	E54 D67	N52-E54 WeakPolarHBondContact ND2-CG 3.39Å; N52-E54 PolarHBondContact ND2-OE1 3.34Å; N52-D67 HydrophobicContact CB-CB 4.32Å; N52-D67 PolarHBondContact N-O 3.46Å; N52-D67 VanDerWaalsContact N-O 3.13Å; N52-D67 PolarHBondContact O-N 3.39Å
53	V	62.6	Low	59.4	Low	65 Å²	65	70.2 Å²	70.2	39%	0.394	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.9	176.5	-166.3	0	0	0	0	107.3	T64 W66	V53-T64 HydrophobicContact CG1-CG2 3.58Å; V53-W66 HydrophobicContact CB-CE3 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.04Å; V53-W66 HydrophobicContact CG1-CD2 4Å; V53-W66 HydrophobicContact CG1-CE3 3.74Å; V53-W66 HydrophobicContact CG1-CH2 3.9Å; V53-W66 HydrophobicContact CG1-CZ2 4.14Å; V53-W66 HydrophobicContact CG1-CZ3 3.67Å; V53-W66 HydrophobicContact CG2-CD2 4.35Å; V53-W66 HydrophobicContact CG2-CE3 3.33Å; V53-W66 HydrophobicContact CG2-CH2 4.12Å; V53-W66 HydrophobicContact CG2-CZ3 3.17Å
54	E	68.6	Low	60.1	Low	35 Å²	35	69.9 Å²	69.9	16%	0.164	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.1	-174.7	-71.4	-74.8	-153.1	0	0	110.4	L34 K38 N52 T64 V65	L34-E54 HydrophobicContact CD1-CB 3.84Å; L34-E54 HydrophobicContact CD2-CB 3.89Å; L34-E54 HydrophobicContact CD2-CG 3.79Å; L34-E54 HydrophobicContact CG-CB 4.23Å; L34-E54 HydrophobicContact CG-CG 4.49Å; K38-E54 IonicContact NZ-OE1 2.76Å; K38-E54 PolarHBondContact NZ-OE1 2.92Å; K38-E54 IonicContact NZ-OE2 2.71Å; K38-E54 PolarHBondContact NZ-OE2 3.44Å; N52-E54 WeakPolarHBondContact ND2-CG 3.39Å; N52-E54 PolarHBondContact ND2-OE1 3.34Å; E54-T64 CarbonylContact O-C 3.59Å; E54-V65 PolarHBondContact N-O 3Å; E54-V65 PolarHBondContact O-N 3.04Å
55	T	64.8	Low	61	Low	76 Å²	76	63.6 Å²	63.6	47%	0.466	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122	175.9	-61.6	0	0	0	0	109	C62 F63	T55-C62 WeakPolarHBondContact CG2-SG 3.27Å; T55-F63 CarbonylContact C-O 3.57Å; T55-F63 WeakPolarHBondContact CA-O 3.37Å
56	V	69.7	Low	61.9	Low	7 Å²	7	62.9 Å²	62.9	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	177.5	-179.9	0	0	0	0	108.1	L34 L37 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.64Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; V56-F63 PolarHBondContact N-O 3.15Å; V56-F63 PolarHBondContact O-N 2.95Å; V56-V65 HydrophobicContact CG2-CG2 4.24Å
57	E	70.1	Confident	62.8	Low	119 Å²	119	56 Å²	56	56%	0.556	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	128	170.6	-63	-162.3	153.9	0	0	109.9	K15 C62	K15-E57 IonicContact NZ-OE1 2.66Å; K15-E57 PolarHBondContact NZ-OE1 3.11Å; K15-E57 IonicContact NZ-OE2 2.64Å; K15-E57 PolarHBondContact NZ-OE2 2.83Å; E57-C62 HydrophobicContact CG-CB 4.49Å
58	Y	71.5	Confident	63.8	Low	34 Å²	34	50.8 Å²	50.8	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120	173.4	-176.7	-108.4	0	0	0	110.3	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 3.08Å; Y58-I61 CarbonylContact C-O 3.57Å; Y58-I61 PolarHBondContact N-O 2.83Å; Y58-I61 PolarHBondContact O-N 3Å; Y58-F63 HydrophobicContact CD1-CE2 4.41Å; Y58-Y167 HydrophobicContact CD2-CD1 4.09Å; Y58-Y167 HydrophobicContact CD2-CE1 4.12Å; Y58-Y167 AromaticContact CE2-CD1 3.25Å; Y58-Y167 HydrophobicContact CE2-CD1 3.25Å; Y58-Y167 AromaticContact CE2-CE1 3.61Å; Y58-Y167 HydrophobicContact CE2-CE1 3.61Å; Y58-Y167 HydrophobicContact CE2-CG 4.39Å; Y58-Y167 AromaticContact CZ-CD1 3.69Å; Y58-L170 HydrophobicContact CD1-CB 3.99Å; Y58-L170 HydrophobicContact CD1-CD1 4.42Å; Y58-L170 HydrophobicContact CE1-CB 3.82Å; Y58-L170 HydrophobicContact CG-CD1 4.4Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.38Å; Y58-D171 PolarHBondContact OH-OD1 3.42Å
59	K	69.8	Low	64.6	Low	121 Å²	121	48.6 Å²	48.6	53%	0.526	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-124.9	-171.7	-63	-177.9	171.6	178.1	0	111.3	I61 D171	K59-I61 VanDerWaalsContact C-N 3.32Å; K59-D171 WeakPolarHBondContact CE-OD1 3.36Å; K59-D171 IonicContact NZ-OD1 2.57Å; K59-D171 PolarHBondContact NZ-OD1 3.32Å; K59-D171 IonicContact NZ-OD2 2.83Å; K59-D171 PolarHBondContact NZ-OD2 3.16Å
60	N	60.9	Low	65.9	Low	100 Å²	100	40.4 Å²	40.4	54%	0.535	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8.7	179.3	60.8	-45.8	0	0	0	112.9	Y58	Y58-N60 PolarHBondContact O-N 3.08Å
61	I	61.7	Low	67	Low	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.7	-177.7	-47.3	-175.5	0	0	0	110.2	M18 Y58 K59 F63 S174	M18-I61 HydrophobicContact CB-CG2 3.7Å; M18-I61 HydrophobicContact CG-CG2 3.43Å; M18-I61 VanDerWaalsContact CG-CG2 3.43Å; Y58-I61 CarbonylContact C-O 3.57Å; Y58-I61 PolarHBondContact N-O 2.83Å; Y58-I61 PolarHBondContact O-N 3Å; K59-I61 VanDerWaalsContact C-N 3.32Å; I61-F63 HydrophobicContact CB-CD1 4.47Å; I61-F63 HydrophobicContact CB-CE1 3.84Å; I61-F63 HydrophobicContact CB-CE2 3.99Å; I61-F63 HydrophobicContact CB-CZ 3.57Å; I61-F63 HydrophobicContact CD1-CE1 4.28Å; I61-F63 HydrophobicContact CD1-CZ 3.95Å; I61-F63 HydrophobicContact CG1-CZ 4.32Å; I61-F63 HydrophobicContact CG2-CD1 3.53Å; I61-F63 HydrophobicContact CG2-CD2 4.46Å; I61-F63 HydrophobicContact CG2-CE1 3.08Å; I61-F63 HydrophobicContact CG2-CE2 4.08Å; I61-F63 HydrophobicContact CG2-CG 4.25Å; I61-F63 HydrophobicContact CG2-CZ 3.4Å; I61-S174 WeakPolarHBondContact CD1-OG 3.45Å
62	C	63.3	Low	67.9	Low	10 Å²	10	43.7 Å²	43.7	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.8	172	-177	0	0	0	0	107.4	Q17 M18 T55 E57	Q17-C62 HydrophobicContact CG-CB 4.23Å; M18-C62 PolarHBondContact N-O 2.88Å; T55-C62 WeakPolarHBondContact CG2-SG 3.27Å; E57-C62 HydrophobicContact CG-CB 4.49Å
63	F	67.4	Low	68.8	Low	6 Å²	6	50.9 Å²	50.9	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.9	-178	-56.2	-62.1	0	0	0	109.8	M18 I20 T55 V56 Y58 I61 V65 L177	M18-F63 HydrophobicContact CB-CD1 3.97Å; M18-F63 HydrophobicContact CB-CE1 4.03Å; M18-F63 WeakPolarHBondContact O-CA 3.24Å; I20-F63 HydrophobicContact CB-CB 4.36Å; I20-F63 HydrophobicContact CB-CD1 4.24Å; I20-F63 HydrophobicContact CD1-CB 4.38Å; I20-F63 HydrophobicContact CD1-CD1 3.05Å; I20-F63 HydrophobicContact CD1-CD2 4.44Å; I20-F63 HydrophobicContact CD1-CE1 3.09Å; I20-F63 HydrophobicContact CD1-CE2 4.49Å; I20-F63 HydrophobicContact CD1-CG 3.74Å; I20-F63 HydrophobicContact CD1-CZ 3.87Å; I20-F63 HydrophobicContact CG1-CB 4.47Å; I20-F63 HydrophobicContact CG1-CD1 3.45Å; I20-F63 VanDerWaalsContact CG1-CD1 3.45Å; I20-F63 HydrophobicContact CG1-CE1 3.89Å; I20-F63 HydrophobicContact CG1-CG 4.24Å; T55-F63 CarbonylContact C-O 3.57Å; T55-F63 WeakPolarHBondContact CA-O 3.37Å; V56-F63 PolarHBondContact N-O 3.15Å; V56-F63 PolarHBondContact O-N 2.95Å; Y58-F63 HydrophobicContact CD1-CE2 4.41Å; I61-F63 HydrophobicContact CB-CD1 4.47Å; I61-F63 HydrophobicContact CB-CE1 3.84Å; I61-F63 HydrophobicContact CB-CE2 3.99Å; I61-F63 HydrophobicContact CB-CZ 3.57Å; I61-F63 HydrophobicContact CD1-CE1 4.28Å; I61-F63 HydrophobicContact CD1-CZ 3.95Å; I61-F63 HydrophobicContact CG1-CZ 4.32Å; I61-F63 HydrophobicContact CG2-CD1 3.53Å; I61-F63 HydrophobicContact CG2-CD2 4.46Å; I61-F63 HydrophobicContact CG2-CE1 3.08Å; I61-F63 HydrophobicContact CG2-CE2 4.08Å; I61-F63 HydrophobicContact CG2-CG 4.25Å; I61-F63 HydrophobicContact CG2-CZ 3.4Å; F63-V65 HydrophobicContact CB-CG2 4.41Å; F63-V65 PolarHBondContact O-N 3.21Å; F63-L177 HydrophobicContact CE1-CD1 4.19Å
64	T	61.2	Low	69.6	Low	42 Å²	42	49.7 Å²	49.7	26%	0.258	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	102.8	166.4	-55.4	0	0	0	0	108.3	I20 V53 E54 W66	I20-T64 CarbonylContact O-C 3.46Å; V53-T64 HydrophobicContact CG1-CG2 3.58Å; E54-T64 CarbonylContact O-C 3.59Å; T64-W66 HydrophobicContact CG2-CZ2 4.41Å
65	V	66.4	Low	70.3	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.3	178.6	-176	0	0	0	0	109.6	M22 L34 E54 V56 F63	M22-V65 HydrophobicContact CB-CG1 3.44Å; M22-V65 VanDerWaalsContact CB-CG1 3.44Å; M22-V65 HydrophobicContact CE-CG1 4.11Å; M22-V65 HydrophobicContact CG-CG1 4.42Å; M22-V65 HydrophobicContact SD-CG1 4.25Å; L34-V65 HydrophobicContact CD1-CB 3.7Å; L34-V65 HydrophobicContact CD1-CG1 3.82Å; L34-V65 HydrophobicContact CD1-CG2 4.08Å; E54-V65 PolarHBondContact N-O 3Å; E54-V65 PolarHBondContact O-N 3.04Å; V56-V65 HydrophobicContact CG2-CG2 4.24Å; F63-V65 HydrophobicContact CB-CG2 4.41Å; F63-V65 PolarHBondContact O-N 3.21Å
66	W	66.6	Low	71.3	Confident	38 Å²	38	48 Å²	48	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	100.5	170.9	-53.3	81.8	0	0	0	107.9	L21 V53 T64 V68 Y81	L21-W66 HydrophobicContact CD1-CB 3.61Å; L21-W66 HydrophobicContact CD1-CG 4.1Å; V53-W66 HydrophobicContact CB-CE3 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.04Å; V53-W66 HydrophobicContact CG1-CD2 4Å; V53-W66 HydrophobicContact CG1-CE3 3.74Å; V53-W66 HydrophobicContact CG1-CH2 3.9Å; V53-W66 HydrophobicContact CG1-CZ2 4.14Å; V53-W66 HydrophobicContact CG1-CZ3 3.67Å; V53-W66 HydrophobicContact CG2-CD2 4.35Å; V53-W66 HydrophobicContact CG2-CE3 3.33Å; V53-W66 HydrophobicContact CG2-CH2 4.12Å; V53-W66 HydrophobicContact CG2-CZ3 3.17Å; T64-W66 HydrophobicContact CG2-CZ2 4.41Å; W66-V68 HydrophobicContact CB-CG2 4.05Å; W66-V68 PolarHBondContact O-N 3.03Å; W66-V68 VanDerWaalsContact O-N 3.11Å; W66-Y81 HydrophobicContact CB-CD2 4.46Å; W66-Y81 HydrophobicContact CB-CG 4.35Å; W66-Y81 AromaticContact CD2-CD1 3.35Å; W66-Y81 HydrophobicContact CD2-CD1 3.35Å; W66-Y81 HydrophobicContact CD2-CD2 4.47Å; W66-Y81 AromaticContact CD2-CE1 3.77Å; W66-Y81 HydrophobicContact CD2-CE1 3.77Å; W66-Y81 AromaticContact CD2-CG 3.74Å; W66-Y81 HydrophobicContact CD2-CG 3.74Å; W66-Y81 AromaticContact CE2-CD1 3.71Å; W66-Y81 AromaticContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD2 4.29Å; W66-Y81 AromaticContact CE3-CE1 2.99Å; W66-Y81 HydrophobicContact CE3-CE1 2.99Å; W66-Y81 HydrophobicContact CE3-CE2 4.14Å; W66-Y81 AromaticContact CE3-CG 3.8Å; W66-Y81 HydrophobicContact CE3-CG 3.8Å; W66-Y81 AromaticContact CE3-CZ 3.49Å; W66-Y81 VanDerWaalsContact CE3-CZ 3.49Å; W66-Y81 HydrophobicContact CG-CD1 4.1Å; W66-Y81 AromaticContact CG-CG 4Å; W66-Y81 HydrophobicContact CG-CG 4Å; W66-Y81 AromaticContact CH2-CD1 3.68Å; W66-Y81 HydrophobicContact CH2-CD1 3.68Å; W66-Y81 AromaticContact CH2-CE1 3.63Å; W66-Y81 HydrophobicContact CH2-CE1 3.63Å; W66-Y81 AromaticContact CZ2-CD1 3.88Å; W66-Y81 HydrophobicContact CZ2-CD1 3.88Å; W66-Y81 HydrophobicContact CZ2-CE1 4.3Å; W66-Y81 AromaticContact CZ3-CD1 3.31Å; W66-Y81 HydrophobicContact CZ3-CD1 3.31Å; W66-Y81 AromaticContact CZ3-CE1 2.91Å; W66-Y81 HydrophobicContact CZ3-CE1 2.91Å; W66-Y81 HydrophobicContact CZ3-CG 4.39Å; W66-Y81 AromaticContact CZ3-CZ 3.71Å
67	D	67.7	Low	71.9	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	93	169.4	-178	20.4	0	0	0	107.5	K30 T31 L34 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.17Å; K30-D67 WeakPolarHBondContact CE-OD1 3.1Å; T31-D67 WeakPolarHBondContact CB-OD2 3.4Å; T31-D67 PolarHBondContact OG1-OD2 3.13Å; L34-D67 HydrophobicContact CD2-CB 4.08Å; N52-D67 HydrophobicContact CB-CB 4.32Å; N52-D67 PolarHBondContact N-O 3.46Å; N52-D67 VanDerWaalsContact N-O 3.13Å; N52-D67 PolarHBondContact O-N 3.39Å
68	V	67.2	Low	72.7	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	22%	0.222	C	C	.	.			trans	-93.4	124	176.4	-159.9	0	0	0	0	108.2	L21 V23 K30 F51 W66 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 4.42Å; V23-V68 HydrophobicContact CG1-CG2 4.39Å; K30-V68 WeakPolarHBondContact CE-O 3.21Å; F51-V68 HydrophobicContact CD1-CG1 3.66Å; F51-V68 HydrophobicContact CE1-CG1 3.73Å; W66-V68 HydrophobicContact CB-CG2 4.05Å; W66-V68 PolarHBondContact O-N 3.03Å; W66-V68 VanDerWaalsContact O-N 3.11Å; V68-G70 PolarHBondContact O-N 3.28Å; V68-W78 VanDerWaalsContact CB-CD1 3.46Å; V68-W78 HydrophobicContact CB-CG 4.49Å; V68-W78 HydrophobicContact CG1-CG 4.43Å; V68-Y81 HydrophobicContact CG2-CD2 3.71Å; V68-Y81 HydrophobicContact CG2-CE2 3.76Å
69	G	69.3	Low	73.4	Confident	10 Å²	10	49.9 Å²	49.9	10%	0.103	24%	0.241	C	C	.	.			trans	-53.1	144.4	178.2	0	0	0	0	0	110.8	I74 W78	G69-I74 VanDerWaalsContact O-CD1 3.27Å; G69-I74 WeakPolarHBondContact O-CD1 3.48Å; G69-I74 WeakPolarHBondContact O-CG1 3.41Å; G69-W78 PolarHBondContact O-NE1 2.81Å
70	G	73.8	Confident	74.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.01	24%	0.244	C	C	.	.			trans	-103.2	12.9	-169.7	0	0	0	0	0	115.1	G24 D26 V68 R75	G24-G70 WeakPolarHBondContact O-CA 3.41Å; D26-G70 PolarHBondContact N-O 2.57Å; V68-G70 PolarHBondContact O-N 3.28Å; G70-R75 PolarHBondContact O-NE 3Å; G70-R75 PolarHBondContact O-NH2 2.9Å
71	Q	78.9	Confident	75.2	Confident	94 Å²	94	47 Å²	47	44%	0.439	23%	0.225	S	C	.	.	S	Bend	trans	-72.8	144.6	175	-58.3	176.8	12.9	0	0	109.8	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 3.98Å; Q71-K73 PolarHBondContact O-N 2.8Å; Q71-I74 HydrophobicContact CB-CD1 4.21Å; Q71-I74 HydrophobicContact CB-CG1 4.02Å; Q71-I74 WeakPolarHBondContact O-CG1 3.34Å; Q71-I74 PolarHBondContact O-N 2.91Å; Q71-R75 WeakPolarHBondContact O-CG 3.32Å; Q71-R75 PolarHBondContact O-N 2.99Å
72	D	80.8	Confident	76.6	Confident	103 Å²	103	47.1 Å²	47.1	55%	0.551	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.2	-47.1	-176.6	-65.4	-32.4	0	0	0	114.4	I74 R75	D72-I74 PolarHBondContact O-N 3.48Å; D72-I74 VanDerWaalsContact O-N 3.16Å; D72-R75 PolarHBondContact O-N 2.75Å; D72-R75 IonicContact OD1-CZ 2.88Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 2.7Å; D72-R75 PolarHBondContact OD1-NH1 3.12Å; D72-R75 IonicContact OD1-NH2 3.28Å; D72-R75 PolarHBondContact OD1-NH2 3.42Å
73	K	81.9	Confident	77.8	Confident	193 Å²	193	52.4 Å²	52.4	84%	0.839	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.3	-174.3	-65.1	-177.5	-179.7	177.6	0	114.1	Q71	Q71-K73 PolarHBondContact O-N 2.8Å
74	I	80.8	Confident	78.7	Confident	40 Å²	40	58 Å²	58	21%	0.205	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-11	-173.7	57.5	173.8	0	0	0	113.6	G69 Q71 D72 P76 L77	G69-I74 VanDerWaalsContact O-CD1 3.27Å; G69-I74 WeakPolarHBondContact O-CD1 3.48Å; G69-I74 WeakPolarHBondContact O-CG1 3.41Å; Q71-I74 HydrophobicContact CB-CD1 4.21Å; Q71-I74 HydrophobicContact CB-CG1 4.02Å; Q71-I74 WeakPolarHBondContact O-CG1 3.34Å; Q71-I74 PolarHBondContact O-N 2.91Å; D72-I74 PolarHBondContact O-N 3.48Å; D72-I74 VanDerWaalsContact O-N 3.16Å; I74-P76 VanDerWaalsContact C-N 3.32Å; I74-L77 HydrophobicContact CB-CD1 4.05Å; I74-L77 HydrophobicContact CG2-CD1 4.21Å; I74-L77 VanDerWaalsContact O-CB 3.29Å; I74-L77 WeakPolarHBondContact O-CB 3.3Å; I74-L77 WeakPolarHBondContact O-CG 3.41Å; I74-L77 PolarHBondContact O-N 3.12Å
75	R	82.9	Confident	80.1	Confident	17 Å²	17	56.4 Å²	56.4	6%	0.064	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54.6	-36.3	173.5	-60.7	-179.3	-168.6	158.2	0.8	114.5	D26 G70 Q71 D72 L77 W78 E102	D26-R75 IonicContact OD1-NH2 3.69Å; G70-R75 PolarHBondContact O-NE 3Å; G70-R75 PolarHBondContact O-NH2 2.9Å; Q71-R75 WeakPolarHBondContact O-CG 3.32Å; Q71-R75 PolarHBondContact O-N 2.99Å; D72-R75 PolarHBondContact O-N 2.75Å; D72-R75 IonicContact OD1-CZ 2.88Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 2.7Å; D72-R75 PolarHBondContact OD1-NH1 3.12Å; D72-R75 IonicContact OD1-NH2 3.28Å; D72-R75 PolarHBondContact OD1-NH2 3.42Å; R75-L77 PolarHBondContact O-N 3.17Å; R75-W78 HydrophobicContact CB-CD2 4.31Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.01Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.29Å; R75-W78 WeakPolarHBondContact O-CB 3.32Å; R75-W78 PolarHBondContact O-N 3.35Å; R75-E102 IonicContact CZ-OE1 3.08Å; R75-E102 IonicContact NH1-OE1 3.95Å; R75-E102 PolarHBondContact NH1-OE1 3.31Å; R75-E102 IonicContact NH2-OE1 2.65Å; R75-E102 PolarHBondContact NH2-OE1 2.91Å
76	P	86.4	Confident	81.4	Confident	60 Å²	60	59.4 Å²	59.4	39%	0.39	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52.2	-27.7	174.7	-32.4	39.2	0	0	0	113.9	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.32Å; P76-W78 VanDerWaalsContact C-N 3.27Å; P76-W78 PolarHBondContact O-N 2.91Å; P76-R79 VanDerWaalsContact O-CG 3.3Å; P76-R79 WeakPolarHBondContact O-CG 3.39Å; P76-R79 PolarHBondContact O-NE 3.23Å
77	L	81.9	Confident	82.7	Confident	52 Å²	52	57.6 Å²	57.6	27%	0.272	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-78.6	-12.7	-174.4	-54.8	159.5	0	0	0	112.8	F51 I74 R75 R79 H80	F51-L77 HydrophobicContact CE1-CB 3.35Å; F51-L77 HydrophobicContact CE1-CD1 3.93Å; F51-L77 HydrophobicContact CE1-CG 4.14Å; F51-L77 HydrophobicContact CE2-CD1 3.73Å; F51-L77 HydrophobicContact CZ-CB 3.29Å; F51-L77 HydrophobicContact CZ-CD1 3.11Å; F51-L77 HydrophobicContact CZ-CD2 3.97Å; F51-L77 HydrophobicContact CZ-CG 3.56Å; I74-L77 HydrophobicContact CB-CD1 4.05Å; I74-L77 HydrophobicContact CG2-CD1 4.21Å; I74-L77 VanDerWaalsContact O-CB 3.29Å; I74-L77 WeakPolarHBondContact O-CB 3.3Å; I74-L77 WeakPolarHBondContact O-CG 3.41Å; I74-L77 PolarHBondContact O-N 3.12Å; R75-L77 PolarHBondContact O-N 3.17Å; L77-R79 PolarHBondContact O-N 3.41Å; L77-H80 PolarHBondContact O-CD2 3.37Å; L77-H80 PolarHBondContact O-N 3.04Å
78	W	86.1	Confident	83.9	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.015	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56	-35.5	176.2	-64.2	2.4	0	0	0	111.6	V23 G24 V68 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.34Å; V23-W78 HydrophobicContact CB-CE3 4.43Å; V23-W78 HydrophobicContact CB-CZ2 4.41Å; V23-W78 HydrophobicContact CG1-CD2 4.09Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; G24-W78 WeakPolarHBondContact O-CZ2 3.49Å; V68-W78 VanDerWaalsContact CB-CD1 3.46Å; V68-W78 HydrophobicContact CB-CG 4.49Å; V68-W78 HydrophobicContact CG1-CG 4.43Å; G69-W78 PolarHBondContact O-NE1 2.81Å; R75-W78 HydrophobicContact CB-CD2 4.31Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.01Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.29Å; R75-W78 WeakPolarHBondContact O-CB 3.32Å; R75-W78 PolarHBondContact O-N 3.35Å; P76-W78 VanDerWaalsContact C-N 3.27Å; P76-W78 PolarHBondContact O-N 2.91Å; W78-H80 PolarHBondContact O-N 3.25Å; W78-H80 VanDerWaalsContact O-N 3.12Å; W78-Y81 PolarHBondContact O-N 2.7Å; W78-F82 VanDerWaalsContact C-CE1 3.4Å; W78-F82 HydrophobicContact CB-CE1 3.85Å; W78-F82 HydrophobicContact CB-CZ 3.93Å; W78-F82 VanDerWaalsContact O-CD1 3.26Å; W78-F82 WeakPolarHBondContact O-CD1 3.45Å; W78-F82 WeakPolarHBondContact O-CE1 3.3Å; W78-E106 HydrophobicContact CZ3-CB 4.2Å; W78-M110 HydrophobicContact CD2-SD 4.45Å; W78-M110 HydrophobicContact CE3-CE 4.38Å; W78-M110 HydrophobicContact CE3-CG 4.11Å; W78-M110 HydrophobicContact CE3-SD 3.38Å; W78-M110 HydrophobicContact CZ3-CG 4.44Å; W78-M110 HydrophobicContact CZ3-SD 3.61Å
79	R	86.1	Confident	85.3	Confident	143 Å²	143	57.5 Å²	57.5	54%	0.54	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.1	-178.4	79.4	-174.3	77	177.3	-3.6	114.3	P76 L77 Y81 F82	P76-R79 VanDerWaalsContact O-CG 3.3Å; P76-R79 WeakPolarHBondContact O-CG 3.39Å; P76-R79 PolarHBondContact O-NE 3.23Å; L77-R79 PolarHBondContact O-N 3.41Å; R79-Y81 PolarHBondContact O-N 3.46Å; R79-Y81 VanDerWaalsContact O-N 3.12Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.12Å; R79-F82 HydrophobicContact CB-CE2 3.84Å; R79-F82 HydrophobicContact CB-CZ 4.35Å; R79-F82 PolarHBondContact O-N 3.47Å
80	H	84.8	Confident	86.6	Confident	125 Å²	125	57 Å²	57	58%	0.579	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.8	-11.8	178.9	-61.6	-58.7	0	0	0	113.2	L77 W78	L77-H80 PolarHBondContact O-CD2 3.37Å; L77-H80 PolarHBondContact O-N 3.04Å; W78-H80 PolarHBondContact O-N 3.25Å; W78-H80 VanDerWaalsContact O-N 3.12Å
81	Y	84.8	Confident	87.8	Confident	34 Å²	34	57 Å²	57	13%	0.133	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-111.7	0.4	-177.9	-52.4	-58.3	0	0	0	113.7	F51 W66 V68 W78 R79 T85	F51-Y81 AromaticContact CD1-CE2 3.73Å; F51-Y81 HydrophobicContact CD1-CE2 3.73Å; F51-Y81 AromaticContact CD1-CZ 3.95Å; F51-Y81 VanDerWaalsContact CD1-OH 3.25Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.28Å; F51-Y81 AromaticContact CE1-CE2 3.78Å; F51-Y81 HydrophobicContact CE1-CE2 3.78Å; W66-Y81 HydrophobicContact CB-CD2 4.46Å; W66-Y81 HydrophobicContact CB-CG 4.35Å; W66-Y81 AromaticContact CD2-CD1 3.35Å; W66-Y81 HydrophobicContact CD2-CD1 3.35Å; W66-Y81 HydrophobicContact CD2-CD2 4.47Å; W66-Y81 AromaticContact CD2-CE1 3.77Å; W66-Y81 HydrophobicContact CD2-CE1 3.77Å; W66-Y81 AromaticContact CD2-CG 3.74Å; W66-Y81 HydrophobicContact CD2-CG 3.74Å; W66-Y81 AromaticContact CE2-CD1 3.71Å; W66-Y81 AromaticContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD2 4.29Å; W66-Y81 AromaticContact CE3-CE1 2.99Å; W66-Y81 HydrophobicContact CE3-CE1 2.99Å; W66-Y81 HydrophobicContact CE3-CE2 4.14Å; W66-Y81 AromaticContact CE3-CG 3.8Å; W66-Y81 HydrophobicContact CE3-CG 3.8Å; W66-Y81 AromaticContact CE3-CZ 3.49Å; W66-Y81 VanDerWaalsContact CE3-CZ 3.49Å; W66-Y81 HydrophobicContact CG-CD1 4.1Å; W66-Y81 AromaticContact CG-CG 4Å; W66-Y81 HydrophobicContact CG-CG 4Å; W66-Y81 AromaticContact CH2-CD1 3.68Å; W66-Y81 HydrophobicContact CH2-CD1 3.68Å; W66-Y81 AromaticContact CH2-CE1 3.63Å; W66-Y81 HydrophobicContact CH2-CE1 3.63Å; W66-Y81 AromaticContact CZ2-CD1 3.88Å; W66-Y81 HydrophobicContact CZ2-CD1 3.88Å; W66-Y81 HydrophobicContact CZ2-CE1 4.3Å; W66-Y81 AromaticContact CZ3-CD1 3.31Å; W66-Y81 HydrophobicContact CZ3-CD1 3.31Å; W66-Y81 AromaticContact CZ3-CE1 2.91Å; W66-Y81 HydrophobicContact CZ3-CE1 2.91Å; W66-Y81 HydrophobicContact CZ3-CG 4.39Å; W66-Y81 AromaticContact CZ3-CZ 3.71Å; V68-Y81 HydrophobicContact CG2-CD2 3.71Å; V68-Y81 HydrophobicContact CG2-CE2 3.76Å; W78-Y81 PolarHBondContact O-N 2.7Å; R79-Y81 PolarHBondContact O-N 3.46Å; R79-Y81 VanDerWaalsContact O-N 3.12Å; Y81-T85 PolarHBondContact O-OG1 2.92Å
82	F	90.1	Very high	88.7	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.031	25%	0.25	C	C	.	.			trans	-70.3	-34.9	-179.1	-62.4	-10.8	0	0	0	112.1	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.5Å; L21-F82 VanDerWaalsContact CD2-CD1 3.5Å; L21-F82 HydrophobicContact CD2-CE1 3.64Å; W78-F82 VanDerWaalsContact C-CE1 3.4Å; W78-F82 HydrophobicContact CB-CE1 3.85Å; W78-F82 HydrophobicContact CB-CZ 3.93Å; W78-F82 VanDerWaalsContact O-CD1 3.26Å; W78-F82 WeakPolarHBondContact O-CD1 3.45Å; W78-F82 WeakPolarHBondContact O-CE1 3.3Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.12Å; R79-F82 HydrophobicContact CB-CE2 3.84Å; R79-F82 HydrophobicContact CB-CZ 4.35Å; R79-F82 PolarHBondContact O-N 3.47Å; F82-N84 PolarHBondContact O-N 2.98Å; F82-T85 VanDerWaalsContact O-CB 3.28Å; F82-T85 WeakPolarHBondContact O-CB 3.25Å; F82-T85 PolarHBondContact O-N 2.97Å; F82-M110 HydrophobicContact CD1-CE 4.35Å; F82-M110 HydrophobicContact CE1-CE 3.41Å; F82-M110 VanDerWaalsContact CE1-CE 3.41Å; F82-M110 HydrophobicContact CZ-CE 3.8Å; F82-M110 HydrophobicContact CZ-CG 4.06Å; F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 3.91Å; F82-E113 HydrophobicContact CE2-CB 4.1Å; F82-E113 HydrophobicContact CE2-CG 3.63Å; F82-E115 HydrophobicContact CB-CB 3.69Å; F82-E115 HydrophobicContact CB-CG 4.45Å; F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.01Å; F82-L116 HydrophobicContact CB-CG 3.9Å; F82-L116 HydrophobicContact CD1-CD1 3.66Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.04Å; F82-L116 HydrophobicContact CD2-CD1 4.07Å; F82-L116 HydrophobicContact CD2-CG 4.25Å; F82-L116 HydrophobicContact CE1-CD1 3.86Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.79Å; F82-L116 HydrophobicContact CG-CD2 4.19Å; F82-L116 HydrophobicContact CG-CG 3.8Å; F82-L116 HydrophobicContact CZ-CD1 4.16Å
83	Q	88.8	Confident	89.5	Confident	121 Å²	121	48.6 Å²	48.6	57%	0.565	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.6	179.4	-71.9	-174.2	-11.1	0	0	112.3	R19 T85 E115	R19-Q83 WeakPolarHBondContact CD-O 3.49Å; R19-Q83 PolarHBondContact NH1-O 3.34Å; Q83-T85 PolarHBondContact O-N 3.48Å; Q83-E115 HydrophobicContact CG-CG 4.05Å
84	N	87.1	Confident	90.3	Very high	125 Å²	125	39.4 Å²	39.4	67%	0.668	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	13.7	-178.4	-54.3	-52.7	0	0	0	114.7	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.35Å; F82-N84 PolarHBondContact O-N 2.98Å; N84-Q86 PolarHBondContact O-N 2.85Å
85	T	90.2	Very high	91.1	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.049	19%	0.191	C	C	.	.			trans	-74.4	121.1	176.3	-74.3	0	0	0	0	110.3	L21 Y81 F82 Q83 G87 L116	L21-T85 HydrophobicContact CB-CG2 3.71Å; Y81-T85 PolarHBondContact O-OG1 2.92Å; F82-T85 VanDerWaalsContact O-CB 3.28Å; F82-T85 WeakPolarHBondContact O-CB 3.25Å; F82-T85 PolarHBondContact O-N 2.97Å; Q83-T85 PolarHBondContact O-N 3.48Å; T85-G87 WeakPolarHBondContact CG2-O 3.45Å; T85-L116 HydrophobicContact CG2-CD2 3.88Å
86	Q	92.5	Very high	91.8	Very high	68 Å²	68	40.6 Å²	40.6	32%	0.318	20%	0.197	S	C	.	.			trans	-97.7	-30	-176.7	-63.6	167.9	-85.3	0	0	111.9	M18 R19 N84 A119 V120 L177	M18-Q86 PolarHBondContact SD-NE2 2.81Å; R19-Q86 VanDerWaalsContact N-OE1 3.16Å; R19-Q86 PolarHBondContact O-N 2.94Å; N84-Q86 PolarHBondContact O-N 2.85Å; Q86-A119 WeakPolarHBondContact O-CA 3.46Å; Q86-V120 PolarHBondContact O-N 3.35Å; Q86-L177 HydrophobicContact CB-CD2 4.11Å; Q86-L177 VanDerWaalsContact O-CD2 3.29Å; Q86-L177 WeakPolarHBondContact O-CD2 3.48Å
87	G	93.7	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.8	174.5	0	0	0	0	0	111.2	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 3.23Å; I20-G87 CarbonylContact C-O 3.54Å; I20-G87 VanDerWaalsContact CA-O 3.24Å; I20-G87 WeakPolarHBondContact CA-O 3.05Å; L21-G87 PolarHBondContact N-O 2.83Å; T85-G87 WeakPolarHBondContact CG2-O 3.45Å; G87-V120 CarbonylContact C-O 3.53Å; G87-V120 WeakPolarHBondContact CA-O 3.42Å
88	L	94.9	Very high	92.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.9	175.6	176.2	62.1	0	0	0	108.4	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.06Å; L21-L88 HydrophobicContact CD2-CD1 4.22Å; L21-L88 HydrophobicContact CG-CD1 4.07Å; V23-L88 HydrophobicContact CG2-CD1 3.55Å; L88-M110 HydrophobicContact CD1-CE 3.8Å; L88-M110 HydrophobicContact CD2-CE 4.27Å; L88-L111 HydrophobicContact CD2-CD2 3.84Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; L88-A119 HydrophobicContact CB-CB 4.41Å; L88-V120 PolarHBondContact N-O 3.06Å; L88-L121 HydrophobicContact CB-CD1 4.38Å; L88-L121 HydrophobicContact CD2-CD1 3.99Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; L88-L121 CarbonylContact O-C 3.55Å; L88-L121 WeakPolarHBondContact O-CA 3.29Å; L88-L122 PolarHBondContact O-N 3.45Å
89	I	95.9	Very high	93.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	169.5	-58.4	177.7	0	0	0	107.9	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.71Å; L21-I89 PolarHBondContact O-N 3.11Å; M22-I89 CarbonylContact C-O 3.49Å; M22-I89 VanDerWaalsContact CA-O 3.29Å; M22-I89 WeakPolarHBondContact CA-O 3.42Å; M22-I89 HydrophobicContact CB-CB 4.24Å; M22-I89 HydrophobicContact CE-CD1 3.97Å; M22-I89 HydrophobicContact CE-CG2 4.2Å; M22-I89 HydrophobicContact CG-CB 4.09Å; M22-I89 HydrophobicContact CG-CG2 4.01Å; V23-I89 PolarHBondContact N-O 3.42Å; I89-V91 HydrophobicContact CG2-CG2 4.13Å; I89-L122 CarbonylContact C-O 3.58Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.14Å; I89-L122 HydrophobicContact CD1-CD2 4.45Å; I89-L122 HydrophobicContact CG1-CB 4.34Å; I89-L122 HydrophobicContact CG1-CD2 4.24Å; I89-F124 HydrophobicContact CD1-CE2 4.4Å; I89-F124 HydrophobicContact CG2-CD2 3.37Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; I89-L170 HydrophobicContact CD1-CD2 3.9Å; I89-L173 HydrophobicContact CD1-CD2 3.95Å; I89-L173 HydrophobicContact CG1-CD2 3.71Å
90	F	96.9	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.1	175.4	-162.6	-97.9	0	0	0	109.9	V23 V92 S103 L107 M110 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.93Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 CarbonylContact O-C 3.58Å; V23-F90 WeakPolarHBondContact O-CA 3.2Å; F90-V92 HydrophobicContact CD1-CG2 3.53Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; F90-S103 VanDerWaalsContact CZ-O 3.32Å; F90-S103 WeakPolarHBondContact CZ-O 3.36Å; F90-L107 HydrophobicContact CB-CD1 4.13Å; F90-L107 HydrophobicContact CD1-CB 4.33Å; F90-L107 HydrophobicContact CD1-CD1 4.28Å; F90-L107 HydrophobicContact CD1-CD2 4.26Å; F90-L107 HydrophobicContact CD2-CB 4.37Å; F90-L107 HydrophobicContact CD2-CD1 3.79Å; F90-L107 HydrophobicContact CE1-CB 3.95Å; F90-L107 HydrophobicContact CE2-CB 4Å; F90-L107 HydrophobicContact CE2-CD1 4.25Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; F90-M110 HydrophobicContact CD2-SD 4.48Å; F90-M110 HydrophobicContact CE2-SD 4.27Å; F90-L121 HydrophobicContact CB-CD1 4.08Å; F90-L122 PolarHBondContact N-O 3.12Å; F90-V123 HydrophobicContact CB-CG2 4.44Å; F90-V123 CarbonylContact O-C 3.57Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.26Å; F90-F124 PolarHBondContact O-N 3.1Å
91	V	97.2	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.1	-176.2	-171.7	0	0	0	0	109.5	M22 V23 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.79Å; M22-V91 HydrophobicContact SD-CG2 4.08Å; V23-V91 PolarHBondContact O-N 2.78Å; A28-V91 HydrophobicContact CB-CB 4.38Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 2.95Å; A28-V91 WeakPolarHBondContact O-CG1 3.08Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG1 4.45Å; K30-V91 HydrophobicContact CG-CG2 3.82Å; I33-V91 HydrophobicContact CD1-CG1 3.79Å; I33-V91 HydrophobicContact CD1-CG2 3.92Å; I89-V91 HydrophobicContact CG2-CG2 4.13Å; V91-F124 HydrophobicContact CG1-CB 4.42Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.34Å; V91-N126 HydrophobicContact CG1-CB 3.98Å
92	V	98.1	Very high	95.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.1	-179.9	-173.1	0	0	0	0	109.6	F90 S94 V123 F124 N126 L139 L143	F90-V92 HydrophobicContact CD1-CG2 3.53Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; V92-S94 PolarHBondContact O-N 2.81Å; V92-V123 HydrophobicContact CG2-CG1 4.11Å; V92-F124 PolarHBondContact N-O 2.9Å; V92-N126 WeakPolarHBondContact O-CB 3.38Å; V92-N126 PolarHBondContact O-N 2.9Å; V92-L139 HydrophobicContact CB-CD1 4.1Å; V92-L139 HydrophobicContact CB-CD2 4.47Å; V92-L139 HydrophobicContact CG1-CD1 3.78Å; V92-L139 HydrophobicContact CG1-CG 4.38Å; V92-L143 HydrophobicContact CG2-CD1 4.12Å
93	D	97.8	Very high	95.4	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	107.8	167.6	-173.5	-17.5	0	0	0	109.1	N95 D96 K127	D93-N95 PolarHBondContact O-N 2.8Å; D93-N95 WeakPolarHBondContact OD1-CA 3.25Å; D93-N95 WeakPolarHBondContact OD1-CB 3.36Å; D93-N95 PolarHBondContact OD1-N 2.77Å; D93-D96 HydrophobicContact CB-CB 3.77Å; D93-D96 PolarHBondContact O-N 3.28Å; D93-D96 PolarHBondContact OD1-N 2.86Å; D93-K127 WeakPolarHBondContact OD1-CD 3.46Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.29Å; D93-K127 IonicContact OD2-NZ 2.62Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å
94	S	98.5	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20	-178.7	-49.5	0	0	0	0	112.3	V92 A125 N126 Q128 A133 M134	V92-S94 PolarHBondContact O-N 2.81Å; S94-A125 WeakPolarHBondContact OG-CA 3.28Å; S94-A125 PolarHBondContact OG-O 2.8Å; S94-N126 WeakPolarHBondContact CB-O 3.25Å; S94-N126 PolarHBondContact N-O 3.3Å; S94-N126 PolarHBondContact OG-N 2.83Å; S94-N126 PolarHBondContact OG-O 3.16Å; S94-Q128 PolarHBondContact OG-NE2 2.92Å; S94-A133 CarbonylContact O-C 3.56Å; S94-A133 WeakPolarHBondContact O-CA 3.34Å; S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.43Å; S94-M134 PolarHBondContact O-N 2.92Å
95	N	97.9	Very high	96.2	Very high	51 Å²	51	37.8 Å²	37.8	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.4	179.6	-166.7	79.9	0	0	0	112.3	D93 R97 L130 N132 A133	D93-N95 PolarHBondContact O-N 2.8Å; D93-N95 WeakPolarHBondContact OD1-CA 3.25Å; D93-N95 WeakPolarHBondContact OD1-CB 3.36Å; D93-N95 PolarHBondContact OD1-N 2.77Å; N95-R97 PolarHBondContact O-N 3.11Å; N95-L130 HydrophobicContact CB-CB 3.99Å; N95-L130 HydrophobicContact CB-CD1 3.59Å; N95-L130 HydrophobicContact CB-CG 4.43Å; N95-L130 WeakPolarHBondContact OD1-CB 3.19Å; N95-N132 WeakPolarHBondContact OD1-CB 3.26Å; N95-N132 PolarHBondContact OD1-N 3.42Å; N95-A133 PolarHBondContact OD1-N 3.43Å
96	D	97.3	Very high	96.5	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.171	19%	0.192	C	C	.	.			trans	-88.5	80.8	177.8	-163.2	-28.2	0	0	0	111.6	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.77Å; D93-D96 PolarHBondContact O-N 3.28Å; D93-D96 PolarHBondContact OD1-N 2.86Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.42Å; D96-E98 PolarHBondContact OD1-N 3.33Å; D96-R99 PolarHBondContact OD1-N 2.69Å; D96-R99 IonicContact OD1-NE 4Å; D96-R99 IonicContact OD2-CZ 2.99Å; D96-R99 IonicContact OD2-NE 2.87Å; D96-R99 PolarHBondContact OD2-NE 3.32Å; D96-R99 IonicContact OD2-NH2 2.88Å; D96-R99 PolarHBondContact OD2-NH2 3.25Å; D96-V100 PolarHBondContact O-N 2.89Å
97	R	96.1	Very high	96.6	Very high	114 Å²	114	35.5 Å²	35.5	43%	0.43	18%	0.178	S	C	.	.	S	Bend	trans	-71.3	-20.5	-178.1	-66.6	179.2	175.6	-101.3	-3.8	113.4	N95 V100 N132 M134	N95-R97 PolarHBondContact O-N 3.11Å; R97-V100 WeakPolarHBondContact O-CG1 3.32Å; R97-N132 PolarHBondContact NE-O 2.9Å; R97-N132 PolarHBondContact NH2-O 3.17Å; R97-M134 HydrophobicContact CG-CE 4.14Å; R97-M134 HydrophobicContact CG-CG 3.95Å; R97-M134 HydrophobicContact CG-SD 3.98Å
98	E	96.3	Very high	96.8	Very high	181 Å²	181	38.3 Å²	38.3	85%	0.846	20%	0.197	S	C	*	.	S	Bend	trans	-78.8	-41.4	-178.1	-64.6	-177.9	179.4	0	0	110.8	D96	D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.42Å; D96-E98 PolarHBondContact OD1-N 3.33Å
99	R	96.3	Very high	96.8	Very high	64 Å²	64	42.4 Å²	42.4	24%	0.242	22%	0.215	C	C	.	.	S	Bend	trans	-97	8.7	-177	-60.8	-170.4	-66.3	160.7	3	114.9	L25 D26 D96 A101 E102 S103	L25-R99 HydrophobicContact CD1-CB 3.9Å; D26-R99 IonicContact OD1-NH1 2.73Å; D26-R99 PolarHBondContact OD1-NH1 2.97Å; D26-R99 IonicContact OD2-CZ 2.65Å; D26-R99 IonicContact OD2-NH1 3.88Å; D26-R99 PolarHBondContact OD2-NH1 2.98Å; D26-R99 IonicContact OD2-NH2 2.65Å; D96-R99 PolarHBondContact OD1-N 2.69Å; D96-R99 IonicContact OD1-NE 4Å; D96-R99 IonicContact OD2-CZ 2.99Å; D96-R99 IonicContact OD2-NE 2.87Å; D96-R99 PolarHBondContact OD2-NE 3.32Å; D96-R99 IonicContact OD2-NH2 2.88Å; D96-R99 PolarHBondContact OD2-NH2 3.25Å; R99-A101 VanDerWaalsContact C-N 3.31Å; R99-A101 PolarHBondContact O-N 2.62Å; R99-E102 WeakPolarHBondContact CD-OE2 3.5Å; R99-E102 WeakPolarHBondContact CG-OE2 3.28Å; R99-E102 WeakPolarHBondContact O-CB 3.11Å; R99-E102 PolarHBondContact O-N 3.4Å; R99-S103 PolarHBondContact O-N 3.25Å; R99-S103 PolarHBondContact O-OG 2.73Å
100	V	97.1	Very high	96.7	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-33.3	175.2	69.8	0	0	0	0	112.6	D96 R97 S103 A104 M134 K142	D96-V100 PolarHBondContact O-N 2.89Å; R97-V100 WeakPolarHBondContact O-CG1 3.32Å; V100-S103 WeakPolarHBondContact O-CB 3.13Å; V100-S103 PolarHBondContact O-N 2.94Å; V100-A104 PolarHBondContact O-N 2.74Å; V100-M134 HydrophobicContact CB-CE 3.92Å; V100-M134 HydrophobicContact CB-SD 4.44Å; V100-M134 HydrophobicContact CG1-CE 4.42Å; V100-M134 HydrophobicContact CG1-SD 4.39Å; V100-M134 HydrophobicContact CG2-CE 3.87Å; V100-M134 HydrophobicContact CG2-SD 4.26Å; V100-K142 HydrophobicContact CB-CD 4.48Å; V100-K142 HydrophobicContact CG1-CD 3.67Å; V100-K142 HydrophobicContact CG2-CB 4.04Å; V100-K142 HydrophobicContact CG2-CD 4.02Å
101	A	96.9	Very high	96.6	Very high	69 Å²	69	43.7 Å²	43.7	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-66.8	-41.5	175.6	0	0	0	0	0	111.3	R99 S103 A104 E105	R99-A101 VanDerWaalsContact C-N 3.31Å; R99-A101 PolarHBondContact O-N 2.62Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-A104 WeakPolarHBondContact O-CB 3.16Å; A101-A104 PolarHBondContact O-N 3.3Å; A101-E105 PolarHBondContact O-N 3.46Å
102	E	96.6	Very high	96.4	Very high	49 Å²	49	50.5 Å²	50.5	23%	0.229	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-41.6	172.7	-177.1	-173.5	176.4	0	0	111.4	L25 R75 R99 A104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.17Å; L25-E102 HydrophobicContact CD1-CG 3.98Å; R75-E102 IonicContact CZ-OE1 3.08Å; R75-E102 IonicContact NH1-OE1 3.95Å; R75-E102 PolarHBondContact NH1-OE1 3.31Å; R75-E102 IonicContact NH2-OE1 2.65Å; R75-E102 PolarHBondContact NH2-OE1 2.91Å; R99-E102 WeakPolarHBondContact CD-OE2 3.5Å; R99-E102 WeakPolarHBondContact CG-OE2 3.28Å; R99-E102 WeakPolarHBondContact O-CB 3.11Å; R99-E102 PolarHBondContact O-N 3.4Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 3.34Å; E102-E105 PolarHBondContact O-N 2.88Å; E102-E106 WeakPolarHBondContact O-CG 3.43Å; E102-E106 PolarHBondContact O-N 2.97Å
103	S	96.3	Very high	96.3	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-40.8	173.8	-59.1	0	0	0	0	111.9	L25 F90 R99 V100 A101 L107	L25-S103 WeakPolarHBondContact CD1-OG 3.38Å; L25-S103 WeakPolarHBondContact CG-OG 3.31Å; F90-S103 VanDerWaalsContact CZ-O 3.32Å; F90-S103 WeakPolarHBondContact CZ-O 3.36Å; R99-S103 PolarHBondContact O-N 3.25Å; R99-S103 PolarHBondContact O-OG 2.73Å; V100-S103 WeakPolarHBondContact O-CB 3.13Å; V100-S103 PolarHBondContact O-N 2.94Å; A101-S103 VanDerWaalsContact C-N 3.34Å; S103-L107 WeakPolarHBondContact O-CB 3.41Å; S103-L107 PolarHBondContact O-N 3.18Å
104	A	97.8	Very high	96.1	Very high	18 Å²	18	58.5 Å²	58.5	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-41.7	177.1	0	0	0	0	0	111.9	V100 A101 E102 S108 K142 L143	V100-A104 PolarHBondContact O-N 2.74Å; A101-A104 WeakPolarHBondContact O-CB 3.16Å; A101-A104 PolarHBondContact O-N 3.3Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 3.34Å; A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.15Å; A104-S108 PolarHBondContact O-N 3.17Å; A104-K142 WeakPolarHBondContact CB-O 3.49Å; A104-L143 HydrophobicContact CB-CD2 3.92Å
105	E	96.5	Very high	96	Very high	107 Å²	107	62.6 Å²	62.6	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-48.1	176.7	-171.1	-173.2	157.3	0	0	111.2	A101 E102 S108 K109	A101-E105 PolarHBondContact O-N 3.46Å; E102-E105 PolarHBondContact O-N 2.88Å; E105-S108 WeakPolarHBondContact O-CB 3.49Å; E105-S108 PolarHBondContact O-N 3Å; E105-K109 WeakPolarHBondContact O-CG 3.33Å; E105-K109 PolarHBondContact O-N 3.48Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.86Å; E105-K109 PolarHBondContact OE1-NZ 3.11Å
106	E	95	Very high	95.9	Very high	26 Å²	26	60.2 Å²	60.2	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178.7	-70.1	-57.4	122.2	0	0	112.1	L25 W78 E102 S108 K109 M110	L25-E106 HydrophobicContact CD2-CG 4.25Å; W78-E106 HydrophobicContact CZ3-CB 4.2Å; E102-E106 WeakPolarHBondContact O-CG 3.43Å; E102-E106 PolarHBondContact O-N 2.97Å; E106-S108 VanDerWaalsContact C-N 3.34Å; E106-S108 PolarHBondContact O-N 3.23Å; E106-K109 PolarHBondContact O-N 2.91Å; E106-K109 IonicContact OE1-NZ 3.13Å; E106-K109 PolarHBondContact OE1-NZ 3.18Å; E106-M110 VanDerWaalsContact O-CG 3.29Å; E106-M110 WeakPolarHBondContact O-CG 3.4Å; E106-M110 PolarHBondContact O-N 2.65Å
107	L	96.5	Very high	95.7	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-47.2	172.8	179.1	60.5	0	0	0	110.8	F90 S103 K109 M110 L111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.13Å; F90-L107 HydrophobicContact CD1-CB 4.33Å; F90-L107 HydrophobicContact CD1-CD1 4.28Å; F90-L107 HydrophobicContact CD1-CD2 4.26Å; F90-L107 HydrophobicContact CD2-CB 4.37Å; F90-L107 HydrophobicContact CD2-CD1 3.79Å; F90-L107 HydrophobicContact CE1-CB 3.95Å; F90-L107 HydrophobicContact CE2-CB 4Å; F90-L107 HydrophobicContact CE2-CD1 4.25Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; S103-L107 WeakPolarHBondContact O-CB 3.41Å; S103-L107 PolarHBondContact O-N 3.18Å; L107-K109 PolarHBondContact O-N 3.11Å; L107-M110 PolarHBondContact O-N 3.36Å; L107-L111 HydrophobicContact CD1-CD1 3.96Å; L107-L111 HydrophobicContact CD1-CD2 4.14Å; L107-L111 HydrophobicContact CD1-CG 3.87Å; L107-L111 HydrophobicContact CG-CD1 3.95Å; L107-L111 HydrophobicContact CG-CG 4.2Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.02Å; L107-L121 HydrophobicContact CD1-CD1 4.1Å; L107-L121 HydrophobicContact CD1-CD2 4.36Å; L107-L143 HydrophobicContact CD2-CB 4.45Å; L107-L143 HydrophobicContact CD2-CD1 4.23Å; L107-L143 HydrophobicContact CD2-CD2 4.49Å; L107-L145 HydrophobicContact CD2-CD2 3.71Å
108	S	96.2	Very high	95.5	Very high	58 Å²	58	66.6 Å²	66.6	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-46.6	179.1	-175.9	0	0	0	0	112	A104 E105 E106 M110 L111 Q112	A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.15Å; A104-S108 PolarHBondContact O-N 3.17Å; E105-S108 WeakPolarHBondContact O-CB 3.49Å; E105-S108 PolarHBondContact O-N 3Å; E106-S108 VanDerWaalsContact C-N 3.34Å; E106-S108 PolarHBondContact O-N 3.23Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 3.42Å; S108-L111 PolarHBondContact O-N 3.46Å; S108-Q112 WeakPolarHBondContact O-CG 3.38Å; S108-Q112 PolarHBondContact O-N 3Å; S108-Q112 PolarHBondContact OG-NE2 2.89Å
109	K	94.7	Very high	95.5	Very high	87 Å²	87	58 Å²	58	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-48.3	174.7	-72.8	170.4	-174.1	160.2	0	111.2	E105 E106 L107 L111 Q112	E105-K109 WeakPolarHBondContact O-CG 3.33Å; E105-K109 PolarHBondContact O-N 3.48Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.86Å; E105-K109 PolarHBondContact OE1-NZ 3.11Å; E106-K109 PolarHBondContact O-N 2.91Å; E106-K109 IonicContact OE1-NZ 3.13Å; E106-K109 PolarHBondContact OE1-NZ 3.18Å; L107-K109 PolarHBondContact O-N 3.11Å; K109-L111 PolarHBondContact O-N 2.88Å; K109-Q112 PolarHBondContact O-N 2.92Å
110	M	93.8	Very high	95.5	Very high	6 Å²	6	55 Å²	55	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-42.2	178.8	-69.6	-173.3	66.4	0	0	113	L21 V23 W78 F82 L88 F90 E106 L107 S108 Q112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.06Å; V23-M110 HydrophobicContact CB-CE 4.44Å; V23-M110 HydrophobicContact CB-SD 4.43Å; V23-M110 HydrophobicContact CG2-CE 3.55Å; V23-M110 HydrophobicContact CG2-SD 3.73Å; W78-M110 HydrophobicContact CD2-SD 4.45Å; W78-M110 HydrophobicContact CE3-CE 4.38Å; W78-M110 HydrophobicContact CE3-CG 4.11Å; W78-M110 HydrophobicContact CE3-SD 3.38Å; W78-M110 HydrophobicContact CZ3-CG 4.44Å; W78-M110 HydrophobicContact CZ3-SD 3.61Å; F82-M110 HydrophobicContact CD1-CE 4.35Å; F82-M110 HydrophobicContact CE1-CE 3.41Å; F82-M110 VanDerWaalsContact CE1-CE 3.41Å; F82-M110 HydrophobicContact CZ-CE 3.8Å; F82-M110 HydrophobicContact CZ-CG 4.06Å; L88-M110 HydrophobicContact CD1-CE 3.8Å; L88-M110 HydrophobicContact CD2-CE 4.27Å; F90-M110 HydrophobicContact CD2-SD 4.48Å; F90-M110 HydrophobicContact CE2-SD 4.27Å; E106-M110 VanDerWaalsContact O-CG 3.29Å; E106-M110 WeakPolarHBondContact O-CG 3.4Å; E106-M110 PolarHBondContact O-N 2.65Å; L107-M110 PolarHBondContact O-N 3.36Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 3.42Å; M110-Q112 PolarHBondContact O-N 2.66Å; M110-E113 WeakPolarHBondContact O-CB 3.4Å; M110-E113 PolarHBondContact O-N 3.47Å; M110-E113 VanDerWaalsContact O-N 3.16Å; M110-L116 HydrophobicContact CB-CD1 4.13Å; M110-L116 HydrophobicContact CE-CD1 3.86Å; M110-L116 WeakPolarHBondContact O-CD1 3.49Å
111	L	94.8	Very high	95.5	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.12	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-13.9	-177.4	-63.8	-176.2	0	0	0	113.5	L88 L107 S108 K109 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.84Å; L107-L111 HydrophobicContact CD1-CD1 3.96Å; L107-L111 HydrophobicContact CD1-CD2 4.14Å; L107-L111 HydrophobicContact CD1-CG 3.87Å; L107-L111 HydrophobicContact CG-CD1 3.95Å; L107-L111 HydrophobicContact CG-CG 4.2Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.02Å; S108-L111 PolarHBondContact O-N 3.46Å; K109-L111 PolarHBondContact O-N 2.88Å; L111-L121 HydrophobicContact CD1-CD2 4.02Å; L111-L121 HydrophobicContact CD2-CD2 4.39Å; L111-L148 HydrophobicContact CD1-CD1 3.58Å; L111-L148 HydrophobicContact CD1-CD2 3.95Å; L111-L148 HydrophobicContact CD1-CG 4.43Å; L111-R151 PolarHBondContact O-NH2 3.26Å
112	Q	94.6	Very high	95.6	Very high	143 Å²	143	51.5 Å²	51.5	67%	0.668	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.9	172.9	-70.8	172.4	22.4	0	0	113.3	S108 K109 M110	S108-Q112 WeakPolarHBondContact O-CG 3.38Å; S108-Q112 PolarHBondContact O-N 3Å; S108-Q112 PolarHBondContact OG-NE2 2.89Å; K109-Q112 PolarHBondContact O-N 2.92Å; M110-Q112 PolarHBondContact O-N 2.66Å
113	E	95.4	Very high	95.7	Very high	81 Å²	81	49.1 Å²	49.1	38%	0.379	24%	0.236	S	C	.	.	S	Bend	trans	-75.1	131.6	-179.2	-61.4	-80.3	177.8	0	0	110.5	F82 M110 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 3.91Å; F82-E113 HydrophobicContact CE2-CB 4.1Å; F82-E113 HydrophobicContact CE2-CG 3.63Å; M110-E113 WeakPolarHBondContact O-CB 3.4Å; M110-E113 PolarHBondContact O-N 3.47Å; M110-E113 VanDerWaalsContact O-N 3.16Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.29Å; E113-L116 PolarHBondContact O-N 3.16Å; E113-R117 PolarHBondContact O-N 3.31Å
114	D	94.6	Very high	95.8	Very high	107 Å²	107	48.9 Å²	48.9	57%	0.572	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63	-35.6	-172.8	-80.4	-14.5	0	0	0	112	L116 R117	D114-L116 PolarHBondContact O-N 2.68Å; D114-R117 WeakPolarHBondContact O-CB 3.39Å; D114-R117 PolarHBondContact O-N 3.13Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.74Å; D114-R117 IonicContact OD1-NE 3.88Å; D114-R117 IonicContact OD1-NH2 3.73Å; D114-R117 PolarHBondContact OD1-NH2 3.08Å; D114-R117 IonicContact OD2-NH2 3.48Å
115	E	95.2	Very high	95.8	Very high	87 Å²	87	48 Å²	48	41%	0.407	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.1	-25.7	177	-63.4	93.5	150.1	0	0	112.9	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.69Å; F82-E115 HydrophobicContact CB-CG 4.45Å; Q83-E115 HydrophobicContact CG-CG 4.05Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.29Å
116	L	95.1	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-97.5	-0.7	177.9	-66.6	-178.3	0	0	0	112.7	F82 T85 L88 M110 E113 D114 E118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.01Å; F82-L116 HydrophobicContact CB-CG 3.9Å; F82-L116 HydrophobicContact CD1-CD1 3.66Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.04Å; F82-L116 HydrophobicContact CD2-CD1 4.07Å; F82-L116 HydrophobicContact CD2-CG 4.25Å; F82-L116 HydrophobicContact CE1-CD1 3.86Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.79Å; F82-L116 HydrophobicContact CG-CD2 4.19Å; F82-L116 HydrophobicContact CG-CG 3.8Å; F82-L116 HydrophobicContact CZ-CD1 4.16Å; T85-L116 HydrophobicContact CG2-CD2 3.88Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; M110-L116 HydrophobicContact CB-CD1 4.13Å; M110-L116 HydrophobicContact CE-CD1 3.86Å; M110-L116 WeakPolarHBondContact O-CD1 3.49Å; E113-L116 PolarHBondContact O-N 3.16Å; D114-L116 PolarHBondContact O-N 2.68Å; L116-E118 PolarHBondContact O-N 3.18Å; L116-E118 VanDerWaalsContact O-N 3.12Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.49Å; L116-A119 PolarHBondContact O-N 2.73Å; L116-R151 VanDerWaalsContact O-CZ 3.25Å; L116-R151 PolarHBondContact O-NH1 2.96Å; L116-R151 PolarHBondContact O-NH2 2.89Å
117	R	93.8	Very high	96.1	Very high	156 Å²	156	44.2 Å²	44.2	59%	0.589	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.4	-175.3	-172.8	179	-67.5	177	-2.3	113.3	E113 D114 R151	E113-R117 PolarHBondContact O-N 3.31Å; D114-R117 WeakPolarHBondContact O-CB 3.39Å; D114-R117 PolarHBondContact O-N 3.13Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.74Å; D114-R117 IonicContact OD1-NE 3.88Å; D114-R117 IonicContact OD1-NH2 3.73Å; D114-R117 PolarHBondContact OD1-NH2 3.08Å; D114-R117 IonicContact OD2-NH2 3.48Å; R117-R151 PolarHBondContact O-NH2 3.47Å
118	E	92.8	Very high	96.2	Very high	124 Å²	124	47 Å²	47	58%	0.579	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.2	-177.6	-69.5	-60.4	143.8	0	0	114.3	L116 V120 R180	L116-E118 PolarHBondContact O-N 3.18Å; L116-E118 VanDerWaalsContact O-N 3.12Å; E118-V120 PolarHBondContact O-N 2.88Å; E118-R180 PolarHBondContact O-NH1 3.32Å; E118-R180 VanDerWaalsContact O-NH1 3.08Å; E118-R180 PolarHBondContact O-NH2 3.48Å; E118-R180 IonicContact OE2-CZ 2.96Å; E118-R180 IonicContact OE2-NH1 3.82Å; E118-R180 PolarHBondContact OE2-NH1 2.65Å; E118-R180 IonicContact OE2-NH2 2.83Å
119	A	95.1	Very high	96.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.1	134.8	-175.2	0	0	0	0	0	112.2	Q86 L88 L116 R151	Q86-A119 WeakPolarHBondContact O-CA 3.46Å; L88-A119 HydrophobicContact CB-CB 4.41Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.49Å; L116-A119 PolarHBondContact O-N 2.73Å; A119-R151 PolarHBondContact O-NH1 2.88Å
120	V	96.7	Very high	96.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.3	170.3	-179.3	0	0	0	0	108.9	Q86 G87 L88 E118 V152 W172 L173 E176 L177	Q86-V120 PolarHBondContact O-N 3.35Å; G87-V120 CarbonylContact C-O 3.53Å; G87-V120 WeakPolarHBondContact CA-O 3.42Å; L88-V120 PolarHBondContact N-O 3.06Å; E118-V120 PolarHBondContact O-N 2.88Å; V120-V152 HydrophobicContact CG1-CB 4.37Å; V120-V152 HydrophobicContact CG1-CG1 4.1Å; V120-W172 HydrophobicContact CG1-CH2 3.56Å; V120-W172 HydrophobicContact CG1-CZ3 3.75Å; V120-L173 HydrophobicContact CB-CD1 3.92Å; V120-L173 HydrophobicContact CG1-CD1 3.64Å; V120-E176 HydrophobicContact CG1-CB 3.94Å; V120-E176 HydrophobicContact CG1-CG 4.45Å; V120-E176 HydrophobicContact CG2-CB 4.39Å; V120-L177 HydrophobicContact CB-CD2 4.13Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å
121	L	98	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.3	-176.9	173.2	64.1	0	0	0	111.3	L88 F90 L107 L111 V123 L145 L148 V152 W153 H154 W172	L88-L121 HydrophobicContact CB-CD1 4.38Å; L88-L121 HydrophobicContact CD2-CD1 3.99Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; L88-L121 CarbonylContact O-C 3.55Å; L88-L121 WeakPolarHBondContact O-CA 3.29Å; F90-L121 HydrophobicContact CB-CD1 4.08Å; L107-L121 HydrophobicContact CD1-CD1 4.1Å; L107-L121 HydrophobicContact CD1-CD2 4.36Å; L111-L121 HydrophobicContact CD1-CD2 4.02Å; L111-L121 HydrophobicContact CD2-CD2 4.39Å; L121-V123 HydrophobicContact CD1-CG2 4.11Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; L121-L145 HydrophobicContact CD2-CD2 4.21Å; L121-L148 HydrophobicContact CD2-CD1 4.09Å; L121-V152 PolarHBondContact N-O 2.92Å; L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.05Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.6Å; L121-W153 WeakPolarHBondContact O-CA 3.33Å; L121-H154 PolarHBondContact O-N 3.21Å; L121-W172 WeakPolarHBondContact O-CH2 3.33Å; L121-W172 WeakPolarHBondContact O-CZ3 3.19Å
122	L	98	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.7	164.9	174.2	64.3	0	0	0	108.6	L88 I89 F90 F124 H154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.45Å; I89-L122 CarbonylContact C-O 3.58Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.14Å; I89-L122 HydrophobicContact CD1-CD2 4.45Å; I89-L122 HydrophobicContact CG1-CB 4.34Å; I89-L122 HydrophobicContact CG1-CD2 4.24Å; F90-L122 PolarHBondContact N-O 3.12Å; L122-F124 HydrophobicContact CD2-CD1 4.44Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 4.05Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CE1 4.37Å; L122-H154 HydrophobicContact CD1-CB 4.35Å; L122-Q156 HydrophobicContact CD1-CB 4.14Å; L122-G169 WeakPolarHBondContact CD2-O 3.33Å; L122-W172 HydrophobicContact CB-CE3 4.48Å; L122-W172 HydrophobicContact CB-CZ3 4.16Å; L122-W172 HydrophobicContact CD1-CE3 4.06Å; L122-W172 HydrophobicContact CD1-CZ3 4.38Å; L122-L173 HydrophobicContact CB-CD1 4.42Å; L122-L173 HydrophobicContact CB-CD2 4.07Å; L122-L173 HydrophobicContact CD2-CB 4.2Å; L122-L173 HydrophobicContact CD2-CD2 4.02Å
123	V	98.6	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.1	171.2	-178.1	0	0	0	0	109	F90 V92 L121 L139 L143 L145 H154 V155 Q156	F90-V123 HydrophobicContact CB-CG2 4.44Å; F90-V123 CarbonylContact O-C 3.57Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.26Å; V92-V123 HydrophobicContact CG2-CG1 4.11Å; L121-V123 HydrophobicContact CD1-CG2 4.11Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; V123-L139 HydrophobicContact CG1-CD2 4.01Å; V123-L143 HydrophobicContact CG1-CD1 3.8Å; V123-L143 HydrophobicContact CG2-CD1 4.44Å; V123-L145 HydrophobicContact CG2-CD1 3.97Å; V123-L145 HydrophobicContact CG2-CD2 4.49Å; V123-H154 PolarHBondContact N-O 3.25Å; V123-V155 HydrophobicContact CB-CB 4.42Å; V123-V155 HydrophobicContact CB-CG1 4.13Å; V123-V155 HydrophobicContact CB-CG2 4.09Å; V123-V155 HydrophobicContact CG1-CG1 4.16Å; V123-V155 WeakPolarHBondContact O-CA 3.23Å; V123-Q156 PolarHBondContact O-N 2.65Å
124	F	98.6	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.9	166.8	-77.4	-43.3	0	0	0	109.5	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166 L170	I33-F124 HydrophobicContact CD1-CB 4.47Å; I33-F124 HydrophobicContact CD1-CD2 3.87Å; I33-F124 HydrophobicContact CD1-CE2 4.48Å; I33-F124 HydrophobicContact CD1-CG 4.43Å; I33-F124 HydrophobicContact CG2-CE2 4.36Å; I89-F124 HydrophobicContact CD1-CE2 4.4Å; I89-F124 HydrophobicContact CG2-CD2 3.37Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; F90-F124 PolarHBondContact O-N 3.1Å; V91-F124 HydrophobicContact CG1-CB 4.42Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.34Å; V92-F124 PolarHBondContact N-O 2.9Å; L122-F124 HydrophobicContact CD2-CD1 4.44Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 4.05Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CE1 4.37Å; F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 3.02Å; F124-Q156 HydrophobicContact CD1-CB 3.94Å; F124-Q156 HydrophobicContact CD1-CG 4.23Å; F124-Q156 HydrophobicContact CE1-CB 4.08Å; F124-Q156 HydrophobicContact CE1-CG 4.06Å; F124-T158 HydrophobicContact CB-CG2 4.45Å; F124-T158 HydrophobicContact CD1-CG2 3.24Å; F124-T158 HydrophobicContact CE1-CG2 3.59Å; F124-T158 HydrophobicContact CG-CG2 4.06Å; F124-L166 HydrophobicContact CE1-CD2 4.46Å; F124-L166 HydrophobicContact CE2-CD2 4.46Å; F124-L166 HydrophobicContact CZ-CD2 4.29Å; F124-L170 HydrophobicContact CZ-CG 4.47Å
125	A	98.6	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	83.6	166.2	0	0	0	0	0	107.6	S94 Q128 V136 L139 V155 Q156 T158	S94-A125 WeakPolarHBondContact OG-CA 3.28Å; S94-A125 PolarHBondContact OG-O 2.8Å; A125-Q128 WeakPolarHBondContact O-CG 3.44Å; A125-V136 HydrophobicContact CB-CG2 4.26Å; A125-L139 HydrophobicContact CB-CD1 3.96Å; A125-L139 HydrophobicContact CB-CD2 4.25Å; A125-V155 HydrophobicContact CB-CG1 4.06Å; A125-Q156 PolarHBondContact N-O 2.75Å; A125-T158 PolarHBondContact O-N 3.45Å
126	N	98.5	Very high	96.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	164.4	-170.3	-170.7	33.9	0	0	0	112.1	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.27Å; V91-N126 HydrophobicContact CG1-CB 3.98Å; V92-N126 WeakPolarHBondContact O-CB 3.38Å; V92-N126 PolarHBondContact O-N 2.9Å; S94-N126 WeakPolarHBondContact CB-O 3.25Å; S94-N126 PolarHBondContact N-O 3.3Å; S94-N126 PolarHBondContact OG-N 2.83Å; S94-N126 PolarHBondContact OG-O 3.16Å; F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 3.02Å; N126-T158 CarbonylContact C-O 3.58Å; N126-T158 WeakPolarHBondContact CA-O 3.26Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.29Å; N126-A160 WeakPolarHBondContact OD1-CB 3.26Å; N126-A160 PolarHBondContact OD1-N 2.8Å
127	K	98.2	Very high	97.1	Very high	49 Å²	49	44.8 Å²	44.8	21%	0.213	24%	0.242	C	C	.	.			trans	65.9	35.1	-178	-44.4	-164.9	-165.1	172	0	114.2	A27 D93 D129 L130 T158	A27-K127 WeakPolarHBondContact O-CE 3.49Å; A27-K127 PolarHBondContact O-NZ 3.3Å; D93-K127 WeakPolarHBondContact OD1-CD 3.46Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.29Å; D93-K127 IonicContact OD2-NZ 2.62Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å; K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.42Å; K127-L130 HydrophobicContact CB-CD1 3.85Å; K127-L130 HydrophobicContact CB-CG 4.19Å; K127-L130 HydrophobicContact CD-CD1 3.97Å; K127-L130 PolarHBondContact O-N 3.21Å; K127-L130 VanDerWaalsContact O-N 3.16Å; K127-T158 PolarHBondContact N-O 3.39Å; K127-T158 VanDerWaalsContact N-O 3.08Å
128	Q	98.4	Very high	97.2	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.8	177.2	-69.5	-74.6	-37.3	0	0	113.6	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 2.92Å; A125-Q128 WeakPolarHBondContact O-CG 3.44Å; Q128-L130 VanDerWaalsContact C-N 3.29Å; Q128-M134 PolarHBondContact NE2-O 2.59Å; Q128-A157 HydrophobicContact CG-CB 4.06Å; Q128-T158 PolarHBondContact N-O 3.19Å; Q128-T158 VanDerWaalsContact N-O 3.13Å
129	D	97.5	Very high	97.5	Very high	76 Å²	76	34.7 Å²	34.7	41%	0.406	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.9	171.9	58	-63.4	0	0	0	113.7	K127 C159	K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.42Å; D129-C159 HydrophobicContact CB-CB 4.44Å; D129-C159 PolarHBondContact OD1-SG 3.38Å
130	L	97.3	Very high	97.6	Very high	62 Å²	62	35.1 Å²	35.1	33%	0.325	21%	0.206	S	C	.	.	S	Bend	trans	-85.2	143.5	-177.8	-62	-178.6	0	0	0	112.1	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 3.99Å; N95-L130 HydrophobicContact CB-CD1 3.59Å; N95-L130 HydrophobicContact CB-CG 4.43Å; N95-L130 WeakPolarHBondContact OD1-CB 3.19Å; K127-L130 HydrophobicContact CB-CD1 3.85Å; K127-L130 HydrophobicContact CB-CG 4.19Å; K127-L130 HydrophobicContact CD-CD1 3.97Å; K127-L130 PolarHBondContact O-N 3.21Å; K127-L130 VanDerWaalsContact O-N 3.16Å; Q128-L130 VanDerWaalsContact C-N 3.29Å; L130-N132 PolarHBondContact O-N 2.96Å; L130-N132 VanDerWaalsContact O-N 3.13Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.5Å; L130-A133 PolarHBondContact O-N 3.39Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	94	Very high	97.6	Very high	124 Å²	124	40.1 Å²	40.1	81%	0.805	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.6	-169.6	24.7	-35.3	0	0	0	114.8
132	N	95.1	Very high	97.6	Very high	105 Å²	105	44.8 Å²	44.8	56%	0.561	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	13	-179.2	-63	-44.8	0	0	0	112.9	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CB 3.26Å; N95-N132 PolarHBondContact OD1-N 3.42Å; R97-N132 PolarHBondContact NE-O 2.9Å; R97-N132 PolarHBondContact NH2-O 3.17Å; L130-N132 PolarHBondContact O-N 2.96Å; L130-N132 VanDerWaalsContact O-N 3.13Å; N132-M134 PolarHBondContact O-N 3.26Å
133	A	97.8	Very high	97.6	Very high	20 Å²	20	45.5 Å²	45.5	17%	0.165	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-56.2	133.8	178	0	0	0	0	0	111.2	S94 N95 L130	S94-A133 CarbonylContact O-C 3.56Å; S94-A133 WeakPolarHBondContact O-CA 3.34Å; N95-A133 PolarHBondContact OD1-N 3.43Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.5Å; L130-A133 PolarHBondContact O-N 3.39Å; L130-A133 VanDerWaalsContact O-N 3.13Å
134	M	98.3	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-65.9	137.9	172.3	-72.3	175.4	-75.4	0	0	109.7	S94 R97 V100 Q128 N132 D138 K142	S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.43Å; S94-M134 PolarHBondContact O-N 2.92Å; R97-M134 HydrophobicContact CG-CE 4.14Å; R97-M134 HydrophobicContact CG-CG 3.95Å; R97-M134 HydrophobicContact CG-SD 3.98Å; V100-M134 HydrophobicContact CB-CE 3.92Å; V100-M134 HydrophobicContact CB-SD 4.44Å; V100-M134 HydrophobicContact CG1-CE 4.42Å; V100-M134 HydrophobicContact CG1-SD 4.39Å; V100-M134 HydrophobicContact CG2-CE 3.87Å; V100-M134 HydrophobicContact CG2-SD 4.26Å; Q128-M134 PolarHBondContact NE2-O 2.59Å; N132-M134 PolarHBondContact O-N 3.26Å; M134-D138 HydrophobicContact CB-CB 4.47Å; M134-K142 HydrophobicContact SD-CD 3.77Å
135	A	97.7	Very high	97.4	Very high	42 Å²	42	47 Å²	47	35%	0.347	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-62.2	153.4	170	0	0	0	0	0	110	S137 D138 L139	A135-S137 PolarHBondContact O-N 3.11Å; A135-D138 PolarHBondContact O-N 3.33Å; A135-D138 VanDerWaalsContact O-N 3.11Å; A135-L139 PolarHBondContact O-N 3.13Å
136	V	97.8	Very high	97.2	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-37.4	178.2	171.2	0	0	0	0	111.8	A125 L139 T140 V155 A157	A125-V136 HydrophobicContact CB-CG2 4.26Å; V136-L139 PolarHBondContact O-N 2.87Å; V136-T140 VanDerWaalsContact O-CB 3.31Å; V136-T140 WeakPolarHBondContact O-CB 3.35Å; V136-T140 PolarHBondContact O-N 3.39Å; V136-T140 PolarHBondContact O-OG1 3.45Å; V136-V155 HydrophobicContact CG1-CB 3.86Å; V136-V155 HydrophobicContact CG1-CG1 3.7Å; V136-A157 HydrophobicContact CG2-CB 3.69Å
137	S	97.6	Very high	97	Very high	70 Å²	70	55.6 Å²	55.6	49%	0.49	32%	0.321	S	S	.	.	H	α-helix	trans	-58.1	-52	175	50.5	0	0	0	0	111.7	A135 L139 T140 D141	A135-S137 PolarHBondContact O-N 3.11Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 2.97Å; S137-T140 WeakPolarHBondContact O-CB 3.41Å; S137-T140 PolarHBondContact O-N 3.12Å; S137-T140 VanDerWaalsContact O-N 3.17Å; S137-D141 PolarHBondContact O-N 3.12Å
138	D	97.4	Very high	96.7	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-40.6	-177.2	-59	-2.8	0	0	0	111	M134 A135 D141 K142	M134-D138 HydrophobicContact CB-CB 4.47Å; A135-D138 PolarHBondContact O-N 3.33Å; A135-D138 VanDerWaalsContact O-N 3.11Å; D138-D141 PolarHBondContact O-N 2.77Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 VanDerWaalsContact O-CG 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.22Å
139	L	97.8	Very high	96.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-68.1	-39.2	178.2	-167.1	145.2	0	0	0	111.1	V92 V123 A125 A135 V136 S137 D141 K142 L143 V155	V92-L139 HydrophobicContact CB-CD1 4.1Å; V92-L139 HydrophobicContact CB-CD2 4.47Å; V92-L139 HydrophobicContact CG1-CD1 3.78Å; V92-L139 HydrophobicContact CG1-CG 4.38Å; V123-L139 HydrophobicContact CG1-CD2 4.01Å; A125-L139 HydrophobicContact CB-CD1 3.96Å; A125-L139 HydrophobicContact CB-CD2 4.25Å; A135-L139 PolarHBondContact O-N 3.13Å; V136-L139 PolarHBondContact O-N 2.87Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 2.97Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 3.42Å; L139-K142 PolarHBondContact O-N 2.92Å; L139-L143 HydrophobicContact CD2-CD1 3.43Å; L139-L143 VanDerWaalsContact CD2-CD1 3.43Å; L139-L143 HydrophobicContact CD2-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 4.37Å; L139-L143 WeakPolarHBondContact O-CB 3.43Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.32Å; L139-L143 PolarHBondContact O-N 2.96Å; L139-V155 HydrophobicContact CD2-CG1 4.35Å
140	T	97.9	Very high	95.9	Very high	10 Å²	10	64.6 Å²	64.6	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-44.2	174.6	-59.9	0	0	0	0	111.2	V136 S137 G144 L145 Q146 W153	V136-T140 VanDerWaalsContact O-CB 3.31Å; V136-T140 WeakPolarHBondContact O-CB 3.35Å; V136-T140 PolarHBondContact O-N 3.39Å; V136-T140 PolarHBondContact O-OG1 3.45Å; S137-T140 WeakPolarHBondContact O-CB 3.41Å; S137-T140 PolarHBondContact O-N 3.12Å; S137-T140 VanDerWaalsContact O-N 3.17Å; T140-G144 PolarHBondContact O-N 3.13Å; T140-L145 HydrophobicContact CG2-CB 4.05Å; T140-L145 HydrophobicContact CG2-CD1 4.28Å; T140-L145 PolarHBondContact O-N 3.13Å; T140-L145 VanDerWaalsContact O-N 3.16Å; T140-Q146 HydrophobicContact CG2-CG 4.3Å; T140-W153 HydrophobicContact CG2-CH2 3.96Å; T140-W153 HydrophobicContact CG2-CZ3 4.17Å
141	D	97.4	Very high	95.8	Very high	105 Å²	105	62.9 Å²	62.9	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-68.7	-46.3	178.9	-69.5	-19.8	0	0	0	111.5	S137 D138 L139 L143 G144	S137-D141 PolarHBondContact O-N 3.12Å; D138-D141 PolarHBondContact O-N 2.77Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 3.42Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.95Å; D141-G144 WeakPolarHBondContact O-CA 3.41Å; D141-G144 PolarHBondContact O-N 3.42Å
142	K	97.7	Very high	95.9	Very high	99 Å²	99	59.9 Å²	59.9	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-64.4	-33.7	179.5	-75.1	-176.3	175.4	-134.4	0	113.7	V100 A104 M134 D138 L139 G144	V100-K142 HydrophobicContact CB-CD 4.48Å; V100-K142 HydrophobicContact CG1-CD 3.67Å; V100-K142 HydrophobicContact CG2-CB 4.04Å; V100-K142 HydrophobicContact CG2-CD 4.02Å; A104-K142 WeakPolarHBondContact CB-O 3.49Å; M134-K142 HydrophobicContact SD-CD 3.77Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 VanDerWaalsContact O-CG 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.22Å; L139-K142 PolarHBondContact O-N 2.92Å; K142-G144 PolarHBondContact O-N 3.5Å
143	L	97.9	Very high	96.1	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.8	173.1	-68.8	-176.5	0	0	0	113	V92 A104 L107 V123 L139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.12Å; A104-L143 HydrophobicContact CB-CD2 3.92Å; L107-L143 HydrophobicContact CD2-CB 4.45Å; L107-L143 HydrophobicContact CD2-CD1 4.23Å; L107-L143 HydrophobicContact CD2-CD2 4.49Å; V123-L143 HydrophobicContact CG1-CD1 3.8Å; V123-L143 HydrophobicContact CG2-CD1 4.44Å; L139-L143 HydrophobicContact CD2-CD1 3.43Å; L139-L143 VanDerWaalsContact CD2-CD1 3.43Å; L139-L143 HydrophobicContact CD2-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 4.37Å; L139-L143 WeakPolarHBondContact O-CB 3.43Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.32Å; L139-L143 PolarHBondContact O-N 2.96Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.95Å; L143-L145 VanDerWaalsContact C-N 3.25Å; L143-L145 HydrophobicContact CB-CD1 4.35Å; L143-L145 HydrophobicContact CB-CD2 3.91Å; L143-L145 HydrophobicContact CB-CG 3.77Å; L143-L145 HydrophobicContact CD1-CD1 4.23Å; L143-L145 HydrophobicContact CD1-CD2 4.45Å; L143-L145 HydrophobicContact CD1-CG 4.44Å; L143-L145 PolarHBondContact O-N 3.16Å
144	G	97.1	Very high	96.1	Very high	29 Å²	29	59.9 Å²	59.9	30%	0.299	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	21.9	179.4	0	0	0	0	0	114	T140 D141 K142 Q146 S147	T140-G144 PolarHBondContact O-N 3.13Å; D141-G144 WeakPolarHBondContact O-CA 3.41Å; D141-G144 PolarHBondContact O-N 3.42Å; K142-G144 PolarHBondContact O-N 3.5Å; G144-Q146 PolarHBondContact O-N 3.28Å; G144-S147 WeakPolarHBondContact O-CB 3.29Å; G144-S147 PolarHBondContact O-N 3.32Å; G144-S147 PolarHBondContact O-OG 3.22Å
145	L	96.4	Very high	96.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27.7	-172.7	-56.5	-178.9	0	0	0	112.6	L107 L121 V123 T140 L143 S147 L148 W153 V155	L107-L145 HydrophobicContact CD2-CD2 3.71Å; L121-L145 HydrophobicContact CD2-CD2 4.21Å; V123-L145 HydrophobicContact CG2-CD1 3.97Å; V123-L145 HydrophobicContact CG2-CD2 4.49Å; T140-L145 HydrophobicContact CG2-CB 4.05Å; T140-L145 HydrophobicContact CG2-CD1 4.28Å; T140-L145 PolarHBondContact O-N 3.13Å; T140-L145 VanDerWaalsContact O-N 3.16Å; L143-L145 VanDerWaalsContact C-N 3.25Å; L143-L145 HydrophobicContact CB-CD1 4.35Å; L143-L145 HydrophobicContact CB-CD2 3.91Å; L143-L145 HydrophobicContact CB-CG 3.77Å; L143-L145 HydrophobicContact CD1-CD1 4.23Å; L143-L145 HydrophobicContact CD1-CD2 4.45Å; L143-L145 HydrophobicContact CD1-CG 4.44Å; L143-L145 PolarHBondContact O-N 3.16Å; L145-S147 PolarHBondContact O-N 3.27Å; L145-S147 VanDerWaalsContact O-N 3.11Å; L145-L148 HydrophobicContact CB-CD1 4.49Å; L145-L148 HydrophobicContact CD2-CD1 3.83Å; L145-L148 VanDerWaalsContact O-CB 3.32Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 2.86Å; L145-W153 HydrophobicContact CB-CD2 4.26Å; L145-W153 HydrophobicContact CB-CE3 4.32Å; L145-W153 HydrophobicContact CB-CH2 4.31Å; L145-W153 HydrophobicContact CB-CZ2 4.22Å; L145-W153 HydrophobicContact CB-CZ3 4.36Å; L145-W153 HydrophobicContact CD1-CE3 4.22Å; L145-W153 HydrophobicContact CD1-CZ3 4.41Å; L145-W153 PolarHBondContact O-NE1 3.42Å; L145-V155 HydrophobicContact CD1-CG2 3.32Å
146	Q	93.8	Very high	96.2	Very high	96 Å²	96	60.2 Å²	60.2	45%	0.449	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-61	-19	175.2	-62.6	-64	-8.4	0	0	113.2	T140 G144 R149	T140-Q146 HydrophobicContact CG2-CG 4.3Å; G144-Q146 PolarHBondContact O-N 3.28Å; Q146-R149 PolarHBondContact O-NH1 3.41Å; Q146-R149 PolarHBondContact O-NH2 3.26Å
147	S	93.2	Very high	96.2	Very high	88 Å²	88	59.8 Å²	59.8	62%	0.615	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-81.5	-15.9	175.5	71	0	0	0	0	113.3	G144 L145 R149	G144-S147 WeakPolarHBondContact O-CB 3.29Å; G144-S147 PolarHBondContact O-N 3.32Å; G144-S147 PolarHBondContact O-OG 3.22Å; L145-S147 PolarHBondContact O-N 3.27Å; L145-S147 VanDerWaalsContact O-N 3.11Å; S147-R149 PolarHBondContact O-N 2.94Å
148	L	92.8	Very high	96.2	Very high	40 Å²	40	56.5 Å²	56.5	21%	0.209	30%	0.3	C	S	.	.			trans	-78.9	83.2	-176.8	-56.7	177	0	0	0	110.8	L111 L121 L145 R151 W153	L111-L148 HydrophobicContact CD1-CD1 3.58Å; L111-L148 HydrophobicContact CD1-CD2 3.95Å; L111-L148 HydrophobicContact CD1-CG 4.43Å; L121-L148 HydrophobicContact CD2-CD1 4.09Å; L145-L148 HydrophobicContact CB-CD1 4.49Å; L145-L148 HydrophobicContact CD2-CD1 3.83Å; L145-L148 VanDerWaalsContact O-CB 3.32Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 2.86Å; L148-R151 HydrophobicContact CB-CB 4.49Å; L148-W153 PolarHBondContact O-NE1 3.42Å
149	R	89.1	Confident	96.2	Very high	207 Å²	207	53.4 Å²	53.4	78%	0.781	28%	0.284	S	S	*	.	S	Bend	trans	-78.6	-30.4	-177.5	-64	-67.2	-178	-122.5	-9.2	114.4	Q146 S147	Q146-R149 PolarHBondContact O-NH1 3.41Å; Q146-R149 PolarHBondContact O-NH2 3.26Å; S147-R149 PolarHBondContact O-N 2.94Å
150	S	89.8	Confident	96.1	Very high	128 Å²	128	53.5 Å²	53.5	90%	0.895	29%	0.285	S	S	*	.	S	Bend	trans	-100.7	7.2	-172.9	52.8	0	0	0	0	113.8
151	R	94.6	Very high	95.8	Very high	27 Å²	27	56 Å²	56	10%	0.102	30%	0.3	C	S	.	.	S	Bend	trans	-126.1	135.4	-174.7	-174.5	175.8	-67.6	-91.6	9	110.5	L111 L116 R117 A119 L148 W153	L111-R151 PolarHBondContact O-NH2 3.26Å; L116-R151 VanDerWaalsContact O-CZ 3.25Å; L116-R151 PolarHBondContact O-NH1 2.96Å; L116-R151 PolarHBondContact O-NH2 2.89Å; R117-R151 PolarHBondContact O-NH2 3.47Å; A119-R151 PolarHBondContact O-NH1 2.88Å; L148-R151 HydrophobicContact CB-CB 4.49Å; R151-W153 VanDerWaalsContact O-CD1 3.26Å
152	V	97.2	Very high	95.6	Very high	60 Å²	60	56.5 Å²	56.5	36%	0.364	30%	0.299	S	S	.	.			trans	-76.8	122.8	170.9	-179.5	0	0	0	0	108.4	V120 L121 W172 E176	V120-V152 HydrophobicContact CG1-CB 4.37Å; V120-V152 HydrophobicContact CG1-CG1 4.1Å; L121-V152 PolarHBondContact N-O 2.92Å; V152-W172 HydrophobicContact CG1-CH2 3.98Å; V152-W172 HydrophobicContact CG1-CZ2 3.77Å; V152-E176 HydrophobicContact CG1-CG 4.02Å
153	W	98.2	Very high	95.3	Very high	70 Å²	70	52.2 Å²	52.2	27%	0.265	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.9	179	62.1	-97.2	0	0	0	112.8	L121 T140 L145 L148 R151 V155 W172	L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.05Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.6Å; L121-W153 WeakPolarHBondContact O-CA 3.33Å; T140-W153 HydrophobicContact CG2-CH2 3.96Å; T140-W153 HydrophobicContact CG2-CZ3 4.17Å; L145-W153 HydrophobicContact CB-CD2 4.26Å; L145-W153 HydrophobicContact CB-CE3 4.32Å; L145-W153 HydrophobicContact CB-CH2 4.31Å; L145-W153 HydrophobicContact CB-CZ2 4.22Å; L145-W153 HydrophobicContact CB-CZ3 4.36Å; L145-W153 HydrophobicContact CD1-CE3 4.22Å; L145-W153 HydrophobicContact CD1-CZ3 4.41Å; L145-W153 PolarHBondContact O-NE1 3.42Å; L148-W153 PolarHBondContact O-NE1 3.42Å; R151-W153 VanDerWaalsContact O-CD1 3.26Å; W153-V155 HydrophobicContact CE3-CG2 4.14Å; W153-V155 HydrophobicContact CZ3-CG2 4Å; W153-W172 VanDerWaalsContact C-CH2 3.41Å
154	H	98.4	Very high	95.2	Very high	55 Å²	55	55 Å²	55	26%	0.255	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.6	171.1	178.1	56.1	0	0	0	110.5	L121 L122 V123 Q156 W172	L121-H154 PolarHBondContact O-N 3.21Å; L122-H154 HydrophobicContact CD1-CB 4.35Å; V123-H154 PolarHBondContact N-O 3.25Å; H154-Q156 PolarHBondContact NE2-OE1 3.2Å; H154-W172 HydrophobicContact CB-CD2 3.39Å; H154-W172 HydrophobicContact CB-CE3 3.5Å; H154-W172 HydrophobicContact CB-CG 4.14Å; H154-W172 HydrophobicContact CB-CH2 3.48Å; H154-W172 VanDerWaalsContact CB-CH2 3.48Å; H154-W172 HydrophobicContact CB-CZ2 3.36Å; H154-W172 HydrophobicContact CB-CZ3 3.55Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.84Å; H154-W172 AromaticContact CG-CD2 3.81Å; H154-W172 AromaticContact CG-CE2 3.97Å
155	V	98.6	Very high	95.2	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.7	172.5	-168.9	0	0	0	0	109	V123 A125 V136 L139 L145 W153	V123-V155 HydrophobicContact CB-CB 4.42Å; V123-V155 HydrophobicContact CB-CG1 4.13Å; V123-V155 HydrophobicContact CB-CG2 4.09Å; V123-V155 HydrophobicContact CG1-CG1 4.16Å; V123-V155 WeakPolarHBondContact O-CA 3.23Å; A125-V155 HydrophobicContact CB-CG1 4.06Å; V136-V155 HydrophobicContact CG1-CB 3.86Å; V136-V155 HydrophobicContact CG1-CG1 3.7Å; L139-V155 HydrophobicContact CD2-CG1 4.35Å; L145-V155 HydrophobicContact CD1-CG2 3.32Å; W153-V155 HydrophobicContact CE3-CG2 4.14Å; W153-V155 HydrophobicContact CZ3-CG2 4Å
156	Q	98.7	Very high	95.1	Very high	37 Å²	37	53.9 Å²	53.9	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	-179.6	-177.8	60.3	53.2	0	0	109.6	L122 V123 F124 A125 H154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.14Å; V123-Q156 PolarHBondContact O-N 2.65Å; F124-Q156 HydrophobicContact CD1-CB 3.94Å; F124-Q156 HydrophobicContact CD1-CG 4.23Å; F124-Q156 HydrophobicContact CE1-CB 4.08Å; F124-Q156 HydrophobicContact CE1-CG 4.06Å; A125-Q156 PolarHBondContact N-O 2.75Å; H154-Q156 PolarHBondContact NE2-OE1 3.2Å; Q156-T158 HydrophobicContact CB-CG2 4.48Å; Q156-T158 HydrophobicContact CG-CG2 3.88Å; Q156-T158 PolarHBondContact O-N 3.02Å; Q156-G165 WeakPolarHBondContact CG-O 3.11Å
157	A	98.6	Very high	95	Very high	38 Å²	38	53.8 Å²	53.8	31%	0.314	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.7	168	0	0	0	0	0	109.5	Q128 V136	Q128-A157 HydrophobicContact CG-CB 4.06Å; V136-A157 HydrophobicContact CG2-CB 3.69Å
158	T	98.3	Very high	95.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	28%	0.28	C	S	.	.			trans	-141.3	154.2	-178	57	0	0	0	0	114.3	F124 A125 N126 K127 Q128 Q156 T164 L166	F124-T158 HydrophobicContact CB-CG2 4.45Å; F124-T158 HydrophobicContact CD1-CG2 3.24Å; F124-T158 HydrophobicContact CE1-CG2 3.59Å; F124-T158 HydrophobicContact CG-CG2 4.06Å; A125-T158 PolarHBondContact O-N 3.45Å; N126-T158 CarbonylContact C-O 3.58Å; N126-T158 WeakPolarHBondContact CA-O 3.26Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.29Å; K127-T158 PolarHBondContact N-O 3.39Å; K127-T158 VanDerWaalsContact N-O 3.08Å; Q128-T158 PolarHBondContact N-O 3.19Å; Q128-T158 VanDerWaalsContact N-O 3.13Å; Q156-T158 HydrophobicContact CB-CG2 4.48Å; Q156-T158 HydrophobicContact CG-CG2 3.88Å; Q156-T158 PolarHBondContact O-N 3.02Å; T158-T164 WeakPolarHBondContact CA-O 3.41Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å
159	C	97.4	Very high	95.2	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.02	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.8	101.5	163.6	176.3	0	0	0	0	107.5	D129 T161 Q162 G163 T164	D129-C159 HydrophobicContact CB-CB 4.44Å; D129-C159 PolarHBondContact OD1-SG 3.38Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 2.94Å; C159-T161 PolarHBondContact SG-OG1 2.77Å; C159-Q162 HydrophobicContact CB-CB 4.23Å; C159-Q162 PolarHBondContact O-N 3.22Å; C159-Q162 VanDerWaalsContact SG-CG 3.57Å; C159-G163 WeakPolarHBondContact O-CA 3.41Å; C159-G163 PolarHBondContact O-N 3.45Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.48Å; C159-T164 PolarHBondContact N-O 3.4Å; C159-T164 VanDerWaalsContact N-O 3.11Å; C159-T164 PolarHBondContact O-N 3.01Å
160	A	94.2	Very high	95.4	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.4	-175.5	0	0	0	0	0	113.3	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.79Å; I33-A160 HydrophobicContact CD1-CB 4.39Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; N126-A160 WeakPolarHBondContact OD1-CB 3.26Å; N126-A160 PolarHBondContact OD1-N 2.8Å
161	T	93.2	Very high	95.4	Very high	61 Å²	61	39.2 Å²	39.2	37%	0.374	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-43.7	178.9	52.3	0	0	0	0	110.7	T32 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.17Å; I42-T161 WeakPolarHBondContact CD1-O 3.16Å; I42-T161 WeakPolarHBondContact CG1-O 3.34Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 2.94Å; C159-T161 PolarHBondContact SG-OG1 2.77Å
162	Q	92.6	Very high	95.5	Very high	117 Å²	117	40.5 Å²	40.5	55%	0.547	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.6	179	-61.7	178.6	35.5	0	0	112.5	C159 T164	C159-Q162 HydrophobicContact CB-CB 4.23Å; C159-Q162 PolarHBondContact O-N 3.22Å; C159-Q162 VanDerWaalsContact SG-CG 3.57Å; Q162-T164 VanDerWaalsContact C-N 3.32Å; Q162-T164 HydrophobicContact CB-CG2 4.05Å
163	G	91.9	Very high	95.3	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	0.1	-174.5	0	0	0	0	0	114.2	C159 L166	C159-G163 WeakPolarHBondContact O-CA 3.41Å; C159-G163 PolarHBondContact O-N 3.45Å; G163-L166 PolarHBondContact O-N 3.22Å
164	T	95.4	Very high	94.8	Very high	72 Å²	72	34.5 Å²	34.5	44%	0.442	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-65.5	134.4	-179	57.8	0	0	0	0	110.8	T158 C159 Q162 L166	T158-T164 WeakPolarHBondContact CA-O 3.41Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.48Å; C159-T164 PolarHBondContact N-O 3.4Å; C159-T164 VanDerWaalsContact N-O 3.11Å; C159-T164 PolarHBondContact O-N 3.01Å; Q162-T164 VanDerWaalsContact C-N 3.32Å; Q162-T164 HydrophobicContact CB-CG2 4.05Å; T164-L166 PolarHBondContact O-N 2.95Å
165	G	96.7	Very high	94.4	Very high	6 Å²	6	36 Å²	36	6%	0.062	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-13.9	178.8	0	0	0	0	0	114.7	Q156 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.11Å; G165-E168 WeakPolarHBondContact CA-OE2 3.29Å; G165-E168 PolarHBondContact N-OE2 3.39Å; G165-E168 VanDerWaalsContact N-OE2 3.15Å; G165-G169 PolarHBondContact O-N 3.4Å; G165-G169 VanDerWaalsContact O-N 3.13Å
166	L	93.8	Very high	94.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-47.9	-177.4	-62.5	-174.2	0	0	0	111.2	I33 K36 L37 F124 T158 G163 T164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.19Å; I33-L166 HydrophobicContact CG1-CD2 3.86Å; I33-L166 HydrophobicContact CG2-CD1 4.35Å; I33-L166 HydrophobicContact CG2-CD2 4.03Å; K36-L166 HydrophobicContact CB-CD1 4.15Å; K36-L166 HydrophobicContact CG-CD1 3.87Å; L37-L166 HydrophobicContact CD2-CB 4.44Å; F124-L166 HydrophobicContact CE1-CD2 4.46Å; F124-L166 HydrophobicContact CE2-CD2 4.46Å; F124-L166 HydrophobicContact CZ-CD2 4.29Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å; G163-L166 PolarHBondContact O-N 3.22Å; T164-L166 PolarHBondContact O-N 2.95Å; L166-G169 PolarHBondContact O-N 3.2Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.27Å; L166-L170 PolarHBondContact O-N 3.04Å
167	Y	91.8	Very high	93.7	Very high	95 Å²	95	35.6 Å²	35.6	37%	0.373	19%	0.186	S	C	.	.	H	α-helix	trans	-70.1	-36.4	-177.5	-66.3	-62	0	0	0	111.9	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CD1 4.47Å; L37-Y167 HydrophobicContact CD2-CE1 4.06Å; Y58-Y167 HydrophobicContact CD2-CD1 4.09Å; Y58-Y167 HydrophobicContact CD2-CE1 4.12Å; Y58-Y167 AromaticContact CE2-CD1 3.25Å; Y58-Y167 HydrophobicContact CE2-CD1 3.25Å; Y58-Y167 AromaticContact CE2-CE1 3.61Å; Y58-Y167 HydrophobicContact CE2-CE1 3.61Å; Y58-Y167 HydrophobicContact CE2-CG 4.39Å; Y58-Y167 AromaticContact CZ-CD1 3.69Å; Y167-L170 PolarHBondContact O-N 2.75Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.3Å; Y167-D171 VanDerWaalsContact O-CG 3.3Å; Y167-D171 PolarHBondContact O-N 3.18Å
168	E	95.4	Very high	93.1	Very high	107 Å²	107	37.2 Å²	37.2	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-44.1	176.2	-62.7	87.7	157.1	0	0	111.3	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.29Å; G165-E168 PolarHBondContact N-OE2 3.39Å; G165-E168 VanDerWaalsContact N-OE2 3.15Å; E168-D171 PolarHBondContact O-N 2.98Å; E168-W172 PolarHBondContact O-N 2.95Å
169	G	95.9	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-42.3	175.5	0	0	0	0	0	112.7	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.33Å; G165-G169 PolarHBondContact O-N 3.4Å; G165-G169 VanDerWaalsContact O-N 3.13Å; L166-G169 PolarHBondContact O-N 3.2Å; G169-D171 VanDerWaalsContact C-N 3.33Å; G169-W172 PolarHBondContact O-N 2.96Å; G169-L173 WeakPolarHBondContact O-CB 3.29Å; G169-L173 PolarHBondContact O-N 3.33Å
170	L	91.9	Very high	91.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-33.6	176.3	-70.6	177.6	0	0	0	112.6	L37 Y58 I89 F124 L166 Y167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.74Å; L37-L170 HydrophobicContact CD2-CD1 3.46Å; L37-L170 VanDerWaalsContact CD2-CD1 3.46Å; L37-L170 HydrophobicContact CG-CD1 4.24Å; Y58-L170 HydrophobicContact CD1-CB 3.99Å; Y58-L170 HydrophobicContact CD1-CD1 4.42Å; Y58-L170 HydrophobicContact CE1-CB 3.82Å; Y58-L170 HydrophobicContact CG-CD1 4.4Å; I89-L170 HydrophobicContact CD1-CD2 3.9Å; F124-L170 HydrophobicContact CZ-CG 4.47Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.27Å; L166-L170 PolarHBondContact O-N 3.04Å; Y167-L170 PolarHBondContact O-N 2.75Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 3.41Å
171	D	91.5	Very high	91.2	Very high	45 Å²	45	53 Å²	53	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-46.2	174.3	-87.1	-6.3	0	0	0	111.4	Y58 K59 Y167 E168 G169 L173 S174 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.38Å; Y58-D171 PolarHBondContact OH-OD1 3.42Å; K59-D171 WeakPolarHBondContact CE-OD1 3.36Å; K59-D171 IonicContact NZ-OD1 2.57Å; K59-D171 PolarHBondContact NZ-OD1 3.32Å; K59-D171 IonicContact NZ-OD2 2.83Å; K59-D171 PolarHBondContact NZ-OD2 3.16Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.3Å; Y167-D171 VanDerWaalsContact O-CG 3.3Å; Y167-D171 PolarHBondContact O-N 3.18Å; E168-D171 PolarHBondContact O-N 2.98Å; G169-D171 VanDerWaalsContact C-N 3.33Å; D171-L173 PolarHBondContact O-N 3.28Å; D171-S174 PolarHBondContact O-N 3.01Å; D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 3.4Å; D171-N175 PolarHBondContact O-ND2 3.28Å; D171-N175 VanDerWaalsContact O-ND2 3.11Å
172	W	95.4	Very high	91.1	Very high	53 Å²	53	52.5 Å²	52.5	20%	0.201	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-50.2	172.6	177	87.1	0	0	0	111.2	V120 L121 L122 V152 W153 H154 E168 G169 S174 N175 E176	V120-W172 HydrophobicContact CG1-CH2 3.56Å; V120-W172 HydrophobicContact CG1-CZ3 3.75Å; L121-W172 WeakPolarHBondContact O-CH2 3.33Å; L121-W172 WeakPolarHBondContact O-CZ3 3.19Å; L122-W172 HydrophobicContact CB-CE3 4.48Å; L122-W172 HydrophobicContact CB-CZ3 4.16Å; L122-W172 HydrophobicContact CD1-CE3 4.06Å; L122-W172 HydrophobicContact CD1-CZ3 4.38Å; V152-W172 HydrophobicContact CG1-CH2 3.98Å; V152-W172 HydrophobicContact CG1-CZ2 3.77Å; W153-W172 VanDerWaalsContact C-CH2 3.41Å; H154-W172 HydrophobicContact CB-CD2 3.39Å; H154-W172 HydrophobicContact CB-CE3 3.5Å; H154-W172 HydrophobicContact CB-CG 4.14Å; H154-W172 HydrophobicContact CB-CH2 3.48Å; H154-W172 VanDerWaalsContact CB-CH2 3.48Å; H154-W172 HydrophobicContact CB-CZ2 3.36Å; H154-W172 HydrophobicContact CB-CZ3 3.55Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.84Å; H154-W172 AromaticContact CG-CD2 3.81Å; H154-W172 AromaticContact CG-CE2 3.97Å; E168-W172 PolarHBondContact O-N 2.95Å; G169-W172 PolarHBondContact O-N 2.96Å; W172-S174 PolarHBondContact O-N 2.91Å; W172-N175 PolarHBondContact O-N 3.35Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.59Å; W172-E176 PolarHBondContact O-N 3.45Å
173	L	92.9	Very high	91	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-43.9	-178.1	-176.5	58	0	0	0	111.9	I20 I89 V120 L122 G169 L170 D171 N175 E176 L177	I20-L173 HydrophobicContact CD1-CD2 3.59Å; I20-L173 HydrophobicContact CD1-CG 4.21Å; I89-L173 HydrophobicContact CD1-CD2 3.95Å; I89-L173 HydrophobicContact CG1-CD2 3.71Å; V120-L173 HydrophobicContact CB-CD1 3.92Å; V120-L173 HydrophobicContact CG1-CD1 3.64Å; L122-L173 HydrophobicContact CB-CD1 4.42Å; L122-L173 HydrophobicContact CB-CD2 4.07Å; L122-L173 HydrophobicContact CD2-CB 4.2Å; L122-L173 HydrophobicContact CD2-CD2 4.02Å; G169-L173 WeakPolarHBondContact O-CB 3.29Å; G169-L173 PolarHBondContact O-N 3.33Å; L170-L173 PolarHBondContact O-N 2.95Å; D171-L173 PolarHBondContact O-N 3.28Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 2.7Å; L173-E176 PolarHBondContact O-N 2.97Å; L173-L177 HydrophobicContact CD1-CD1 4.11Å; L173-L177 HydrophobicContact CD1-CG 4.18Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 WeakPolarHBondContact O-CB 3.11Å; L173-L177 WeakPolarHBondContact O-CG 3.08Å; L173-L177 PolarHBondContact O-N 2.66Å
174	S	88.1	Confident	90.9	Very high	5 Å²	5	51.3 Å²	51.3	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-47.2	174	170.6	0	0	0	0	111.3	I61 L170 D171 W172 L177 S178	I61-S174 WeakPolarHBondContact CD1-OG 3.45Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 3.41Å; D171-S174 PolarHBondContact O-N 3.01Å; W172-S174 PolarHBondContact O-N 2.91Å; S174-L177 PolarHBondContact O-N 2.73Å; S174-S178 WeakPolarHBondContact O-CB 3.47Å; S174-S178 PolarHBondContact O-N 2.64Å
175	N	90.6	Very high	90.6	Very high	87 Å²	87	50 Å²	50	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-45.3	179.6	-69.9	-24.5	0	0	0	111.5	D171 W172 L173 S178 K179	D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 3.4Å; D171-N175 PolarHBondContact O-ND2 3.28Å; D171-N175 VanDerWaalsContact O-ND2 3.11Å; W172-N175 PolarHBondContact O-N 3.35Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 2.7Å; N175-S178 PolarHBondContact O-N 2.76Å; N175-S178 PolarHBondContact O-OG 3.26Å; N175-K179 WeakPolarHBondContact O-CG 3.44Å; N175-K179 PolarHBondContact O-N 2.88Å
176	E	93.1	Very high	90.2	Very high	37 Å²	37	52.9 Å²	52.9	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-40.3	176.9	-67.1	-48.2	135	0	0	112.9	V120 V152 W172 L173 S178 K179	V120-E176 HydrophobicContact CG1-CB 3.94Å; V120-E176 HydrophobicContact CG1-CG 4.45Å; V120-E176 HydrophobicContact CG2-CB 4.39Å; V152-E176 HydrophobicContact CG1-CG 4.02Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.59Å; W172-E176 PolarHBondContact O-N 3.45Å; L173-E176 PolarHBondContact O-N 2.97Å; E176-S178 VanDerWaalsContact C-N 3.27Å; E176-S178 PolarHBondContact O-N 2.71Å; E176-K179 PolarHBondContact O-N 3.02Å; E176-K179 IonicContact OE1-NZ 2.64Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 IonicContact OE2-NZ 2.94Å; E176-K179 PolarHBondContact OE2-NZ 2.86Å
177	L	88.6	Confident	90	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-26.5	177.4	-68.4	175.2	0	0	0	112.7	M18 I20 F63 Q86 V120 L173 S174 K179 R180	M18-L177 HydrophobicContact CE-CB 4.03Å; M18-L177 WeakPolarHBondContact CE-O 3.47Å; I20-L177 HydrophobicContact CD1-CD1 4Å; I20-L177 HydrophobicContact CG1-CD1 4.4Å; F63-L177 HydrophobicContact CE1-CD1 4.19Å; Q86-L177 HydrophobicContact CB-CD2 4.11Å; Q86-L177 VanDerWaalsContact O-CD2 3.29Å; Q86-L177 WeakPolarHBondContact O-CD2 3.48Å; V120-L177 HydrophobicContact CB-CD2 4.13Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å; L173-L177 HydrophobicContact CD1-CD1 4.11Å; L173-L177 HydrophobicContact CD1-CG 4.18Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 WeakPolarHBondContact O-CB 3.11Å; L173-L177 WeakPolarHBondContact O-CG 3.08Å; L173-L177 PolarHBondContact O-N 2.66Å; S174-L177 PolarHBondContact O-N 2.73Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-R180 PolarHBondContact O-N 2.96Å
178	S	85.5	Confident	89.8	Confident	73 Å²	73	53.7 Å²	53.7	51%	0.51	26%	0.255	S	S	.	.	H	α-helix	trans	-73.9	-21.3	177.1	75.6	0	0	0	0	113.8	S174 N175 E176 R180	S174-S178 WeakPolarHBondContact O-CB 3.47Å; S174-S178 PolarHBondContact O-N 2.64Å; N175-S178 PolarHBondContact O-N 2.76Å; N175-S178 PolarHBondContact O-OG 3.26Å; E176-S178 VanDerWaalsContact C-N 3.27Å; E176-S178 PolarHBondContact O-N 2.71Å; S178-R180 PolarHBondContact O-N 3.03Å
179	K	86.1	Confident	89.4	Confident	145 Å²	145	49.3 Å²	49.3	63%	0.63	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.9	176	-64	170.3	-169.5	171.3	0	113.1	N175 E176 L177	N175-K179 WeakPolarHBondContact O-CG 3.44Å; N175-K179 PolarHBondContact O-N 2.88Å; E176-K179 PolarHBondContact O-N 3.02Å; E176-K179 IonicContact OE1-NZ 2.64Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 IonicContact OE2-NZ 2.94Å; E176-K179 PolarHBondContact OE2-NZ 2.86Å; L177-K179 VanDerWaalsContact C-N 3.32Å
180	R	72.9	Confident	88.8	Confident	139 Å²	139	53.7 Å²	53.7	53%	0.525	26%	0.256	S	S	.	.			trans	-98.7	0	177.3	-62.9	-176	177.6	-117.9	5.8	110.8	K16 E118 L177 S178	K16-R180 PolarHBondContact NZ-OXT 3.16Å; E118-R180 PolarHBondContact O-NH1 3.32Å; E118-R180 VanDerWaalsContact O-NH1 3.08Å; E118-R180 PolarHBondContact O-NH2 3.48Å; E118-R180 IonicContact OE2-CZ 2.96Å; E118-R180 IonicContact OE2-NH1 3.82Å; E118-R180 PolarHBondContact OE2-NH1 2.65Å; E118-R180 IonicContact OE2-NH2 2.83Å; L177-R180 PolarHBondContact O-N 2.96Å; S178-R180 PolarHBondContact O-N 3.03Å

Retrieved 180 of 180 residues in 1598.6 ms (Link to these results)

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