A0A060Y1I5_ONCMY Loading...

ADP-ribosylation factor

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

AlphaFold DB , UniProt , Accession A0A060Y1I5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532689, Length 181 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	42.6	Very low	46.4	Very low	239 Å²	239	122.7 Å²	122.7	100%	1.177	68%	0.68	S	S	*	*				0	65.7	0	-71.6	-144.5	-76.3	0	0	110.5
2	G	48.5	Very low	45.9	Very low	70 Å²	70	123.8 Å²	123.8	72%	0.722	68%	0.683	S	S	*	*			trans	-117.4	6.1	-167.9	0	0	0	0	0	116.5
3	N	51.9	Low	46.3	Very low	138 Å²	138	124.5 Å²	124.5	74%	0.738	68%	0.684	S	S	*	*	S	Bend	trans	-116	2	-171.1	-84.6	2.9	0	0	0	115.3
4	I	50.1	Low	46.9	Very low	123 Å²	123	120.1 Å²	120.1	63%	0.631	68%	0.681	S	S	*	*	H	α-helix	trans	-91.4	-36.4	-175.3	-56.1	177.7	0	0	0	111.1	L8	I4-L8 PolarHBondContact O-N 3.41Å
5	F	45.3	Very low	47.5	Very low	161 Å²	161	119.9 Å²	119.9	71%	0.706	67%	0.67	S	S	*	*	H	α-helix	trans	-73.8	-32.1	180	-85.2	-89.1	0	0	0	114.2	N7 L8 L9	F5-N7 PolarHBondContact O-N 3.01Å; F5-L8 PolarHBondContact O-N 3.48Å; F5-L9 WeakPolarHBondContact O-CB 3.49Å; F5-L9 PolarHBondContact O-N 3.27Å
6	G	47.9	Very low	48.5	Very low	45 Å²	45	118.5 Å²	118.5	46%	0.464	65%	0.654	S	S	.	*	H	α-helix	trans	-68.9	-31.3	178.6	0	0	0	0	0	114	K10	G6-K10 PolarHBondContact O-N 3.43Å
7	N	45.3	Very low	49.6	Very low	115 Å²	115	120.8 Å²	120.8	62%	0.615	66%	0.659	S	S	*	*	H	α-helix	trans	-82.7	-29.9	175.8	-71.8	-16.6	0	0	0	112.1	F5 K10 S11	F5-N7 PolarHBondContact O-N 3.01Å; N7-K10 PolarHBondContact O-N 3.48Å; N7-S11 PolarHBondContact O-N 3.48Å
8	L	45	Very low	51.1	Low	100 Å²	100	114.4 Å²	114.4	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-73.7	-35.6	175.9	-151.6	74.9	0	0	0	112.4	I4 F5 S11 L12	I4-L8 PolarHBondContact O-N 3.41Å; F5-L8 PolarHBondContact O-N 3.48Å; L8-S11 WeakPolarHBondContact O-CB 3.43Å; L8-S11 PolarHBondContact O-N 3.04Å; L8-L12 PolarHBondContact O-N 3.13Å; L8-L12 VanDerWaalsContact O-N 3.13Å
9	L	44.3	Very low	52.7	Low	108 Å²	108	111.4 Å²	111.4	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-68.9	-31	172	-98.2	136.6	0	0	0	113.1	F5 S11 L12 L13	F5-L9 WeakPolarHBondContact O-CB 3.49Å; F5-L9 PolarHBondContact O-N 3.27Å; L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.27Å; L9-L13 PolarHBondContact O-N 3.21Å
10	K	44.8	Very low	54.4	Low	156 Å²	156	105.9 Å²	105.9	68%	0.678	57%	0.573	S	S	*	*	H	α-helix	trans	-66.8	-28.6	169.9	-84	-178.9	176.7	177.9	0	113.2	G6 N7	G6-K10 PolarHBondContact O-N 3.43Å; N7-K10 PolarHBondContact O-N 3.48Å
11	S	44.2	Very low	55.9	Low	95 Å²	95	100.8 Å²	100.8	66%	0.664	55%	0.545	S	S	*	.	H	α-helix	trans	-79.8	-19.1	173	179.8	0	0	0	0	113.3	N7 L8 L9	N7-S11 PolarHBondContact O-N 3.48Å; L8-S11 WeakPolarHBondContact O-CB 3.43Å; L8-S11 PolarHBondContact O-N 3.04Å; L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.23Å
12	L	41.2	Very low	58.2	Low	136 Å²	136	89.5 Å²	89.5	71%	0.712	49%	0.489	S	S	*	.	H	α-helix	trans	-98.4	-9.1	177.9	-74.8	168.5	0	0	0	113.6	L8 L9 G14	L8-L12 PolarHBondContact O-N 3.13Å; L8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3.27Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.11Å
13	L	51.3	Low	60.1	Low	133 Å²	133	86.1 Å²	86.1	70%	0.696	46%	0.455	S	S	*	.	S	Bend	trans	-70.1	88	161.5	-82.1	152.4	0	0	0	107.5	L9	L9-L13 PolarHBondContact O-N 3.21Å
14	G	53.6	Low	62	Low	62 Å²	62	79.6 Å²	79.6	64%	0.639	42%	0.42	S	S	*	.			trans	-49.1	155.9	-177.5	0	0	0	0	0	113.4	L12 K16	L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.11Å; G14-K16 PolarHBondContact O-N 3.22Å
15	K	55.9	Low	64	Low	118 Å²	118	74.2 Å²	74.2	51%	0.513	39%	0.392	S	S	.	.			trans	-48.5	116.5	171.4	-68.5	-175.5	-176.9	-177.8	0	107.9	E17 E57	K15-E17 PolarHBondContact O-N 3.34Å; K15-E17 VanDerWaalsContact O-N 3.14Å; K15-E57 IonicContact NZ-OE1 3.95Å; K15-E57 PolarHBondContact NZ-OE1 3.38Å; K15-E57 IonicContact NZ-OE2 2.64Å; K15-E57 PolarHBondContact NZ-OE2 3.36Å
16	K	64.6	Low	66	Low	97 Å²	97	68.7 Å²	68.7	42%	0.422	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103	173.3	-173.3	168.3	172.5	-174.4	0	105.9	G14 M18	G14-K16 PolarHBondContact O-N 3.22Å; K16-M18 HydrophobicContact CB-CE 4.37Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.16Å; K16-M18 HydrophobicContact CG-CE 3.71Å; K16-M18 HydrophobicContact CG-SD 4.02Å; K16-M18 PolarHBondContact O-N 3.2Å
17	E	66.6	Low	68	Low	157 Å²	157	69.7 Å²	69.7	73%	0.734	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.2	171.9	-65.8	-172.4	166.5	0	0	108.2	K15	K15-E17 PolarHBondContact O-N 3.34Å; K15-E17 VanDerWaalsContact O-N 3.14Å
18	M	77.4	Confident	70.2	Confident	7 Å²	7	64.2 Å²	64.2	3%	0.034	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.9	-180	-64.4	-73.3	-161.4	0	0	108.7	K16 I20 I61 S62 F63 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.37Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.16Å; K16-M18 HydrophobicContact CG-CE 3.71Å; K16-M18 HydrophobicContact CG-SD 4.02Å; K16-M18 PolarHBondContact O-N 3.2Å; M18-I20 PolarHBondContact O-N 3.47Å; M18-I61 HydrophobicContact CB-CG2 3.64Å; M18-I61 HydrophobicContact CG-CG2 3.46Å; M18-I61 VanDerWaalsContact CG-CG2 3.46Å; M18-S62 PolarHBondContact N-O 3.03Å; M18-S62 VanDerWaalsContact N-O 3.08Å; M18-F63 HydrophobicContact CB-CD1 3.9Å; M18-F63 HydrophobicContact CB-CE1 3.8Å; M18-F63 HydrophobicContact CG-CE1 4.41Å; M18-Q86 VanDerWaalsContact CA-OE1 3.25Å; M18-Q86 PolarHBondContact SD-NE2 3.38Å; M18-L177 HydrophobicContact CB-CD1 4.5Å; M18-L177 HydrophobicContact CE-CB 3.97Å; M18-L177 WeakPolarHBondContact CE-O 3.29Å; M18-L177 HydrophobicContact SD-CB 4.47Å
19	R	81.4	Confident	72.4	Confident	56 Å²	56	60 Å²	60	21%	0.211	33%	0.326	C	S	.	.			trans	-81.1	113.3	174.5	-164.7	179.3	-160.1	-160.7	1	109.1	Y81 Q83 N84 Q86 G87	R19-Y81 PolarHBondContact NH1-O 3.39Å; R19-Q83 PolarHBondContact NH1-O 3.04Å; R19-N84 WeakPolarHBondContact CB-O 3.41Å; R19-Q86 PolarHBondContact O-N 3.24Å; R19-G87 PolarHBondContact O-N 3.01Å
20	I	85.4	Confident	74.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.7	172.5	-71.4	-170.8	0	0	0	110.2	M18 F63 T64 G87 I89 L173 L177	M18-I20 PolarHBondContact O-N 3.47Å; I20-F63 HydrophobicContact CB-CB 4.12Å; I20-F63 HydrophobicContact CB-CD1 3.95Å; I20-F63 HydrophobicContact CB-CG 4.33Å; I20-F63 HydrophobicContact CD1-CB 4.35Å; I20-F63 HydrophobicContact CD1-CD1 3.04Å; I20-F63 HydrophobicContact CD1-CD2 4.29Å; I20-F63 HydrophobicContact CD1-CE1 3Å; I20-F63 HydrophobicContact CD1-CE2 4.3Å; I20-F63 HydrophobicContact CD1-CG 3.67Å; I20-F63 HydrophobicContact CD1-CZ 3.67Å; I20-F63 HydrophobicContact CG1-CB 4.42Å; I20-F63 HydrophobicContact CG1-CD1 3.3Å; I20-F63 HydrophobicContact CG1-CE1 3.64Å; I20-F63 HydrophobicContact CG1-CG 4.09Å; I20-T64 CarbonylContact O-C 3.59Å; I20-G87 CarbonylContact C-O 3.53Å; I20-G87 VanDerWaalsContact CA-O 3.24Å; I20-G87 WeakPolarHBondContact CA-O 3.3Å; I20-I89 HydrophobicContact CG2-CD1 3.72Å; I20-I89 HydrophobicContact CG2-CG1 3.73Å; I20-L173 HydrophobicContact CD1-CD2 3.52Å; I20-L173 HydrophobicContact CD1-CG 4Å; I20-L177 HydrophobicContact CD1-CD1 3.84Å; I20-L177 HydrophobicContact CG1-CD1 4.16Å
21	L	87.2	Confident	76.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.5	172.5	-179.1	56.2	0	0	0	109.7	V23 W66 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.78Å; L21-V23 HydrophobicContact CD2-CG1 4.16Å; L21-V23 HydrophobicContact CG-CG1 3.75Å; L21-W66 HydrophobicContact CD1-CB 3.56Å; L21-W66 HydrophobicContact CD1-CG 3.77Å; L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 3.68Å; L21-T85 HydrophobicContact CB-CG2 3.69Å; L21-G87 PolarHBondContact N-O 2.97Å; L21-L88 HydrophobicContact CB-CD1 4.06Å; L21-L88 HydrophobicContact CD2-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.05Å; L21-L88 CarbonylContact O-C 3.59Å; L21-L88 WeakPolarHBondContact O-CA 3.42Å; L21-I89 PolarHBondContact O-N 2.66Å; L21-M110 HydrophobicContact CD2-CE 4.1Å
22	M	89.9	Confident	78.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117	171.4	176.6	168.5	48	0	0	110.5	K30 I33 L34 V65 I89 V91	M22-K30 HydrophobicContact CG-CB 4.49Å; M22-K30 HydrophobicContact CG-CG 4.41Å; M22-I33 HydrophobicContact CE-CG2 4.23Å; M22-I33 HydrophobicContact SD-CB 4.28Å; M22-I33 HydrophobicContact SD-CG2 3.93Å; M22-L34 HydrophobicContact CE-CB 4.17Å; M22-V65 HydrophobicContact CB-CG1 4.12Å; M22-V65 HydrophobicContact CE-CB 4.16Å; M22-V65 HydrophobicContact CE-CG1 3.27Å; M22-V65 HydrophobicContact CE-CG2 3.77Å; M22-I89 CarbonylContact C-O 3.53Å; M22-I89 VanDerWaalsContact CA-O 3.26Å; M22-I89 WeakPolarHBondContact CA-O 3.47Å; M22-I89 HydrophobicContact CB-CB 4Å; M22-I89 HydrophobicContact CB-CG2 4.47Å; M22-I89 HydrophobicContact CG-CB 4.03Å; M22-I89 HydrophobicContact CG-CG2 3.96Å; M22-I89 HydrophobicContact SD-CG2 4.1Å; M22-V91 HydrophobicContact CG-CG2 3.76Å; M22-V91 HydrophobicContact SD-CG2 3.81Å
23	V	89.5	Confident	80.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	176.5	-172.4	-73.7	0	0	0	0	110.4	L21 K30 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.78Å; L21-V23 HydrophobicContact CD2-CG1 4.16Å; L21-V23 HydrophobicContact CG-CG1 3.75Å; V23-K30 VanDerWaalsContact C-CD 3.45Å; V23-W78 HydrophobicContact CB-CD2 4.49Å; V23-W78 HydrophobicContact CB-CE3 4.46Å; V23-W78 HydrophobicContact CB-CH2 4.43Å; V23-W78 HydrophobicContact CB-CZ2 4.45Å; V23-W78 HydrophobicContact CB-CZ3 4.44Å; V23-W78 HydrophobicContact CG1-CD2 4.17Å; V23-W78 HydrophobicContact CG1-CG 4.4Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; V23-I89 PolarHBondContact N-O 3.02Å; V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.45Å; V23-F90 CarbonylContact O-C 3.53Å; V23-F90 WeakPolarHBondContact O-CA 3.26Å; V23-V91 PolarHBondContact O-N 3.3Å; V23-M110 HydrophobicContact CB-CE 4.4Å; V23-M110 HydrophobicContact CB-SD 4.42Å; V23-M110 HydrophobicContact CG1-CE 4.42Å; V23-M110 HydrophobicContact CG2-CE 3.56Å; V23-M110 HydrophobicContact CG2-SD 3.75Å
24	G	91.4	Very high	82.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.			trans	146.8	171.1	-174.1	0	0	0	0	0	110.2	K30 G70	G24-K30 PolarHBondContact O-NZ 3.04Å; G24-G70 WeakPolarHBondContact O-CA 3.2Å
25	L	91.3	Very high	83.7	Confident	10 Å²	10	32.7 Å²	32.7	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	-61.2	162.5	179.8	-55.2	-166	0	0	0	112	A28 K30 R99 E102 A103 E106	L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.29Å; L25-A28 PolarHBondContact O-N 2.85Å; L25-K30 PolarHBondContact O-NZ 3.26Å; L25-R99 HydrophobicContact CD1-CB 3.84Å; L25-E102 HydrophobicContact CD1-CB 4.22Å; L25-E102 HydrophobicContact CD1-CG 4.2Å; L25-E102 HydrophobicContact CD2-CG 4.49Å; L25-A103 HydrophobicContact CD1-CB 3.88Å; L25-A103 HydrophobicContact CG-CB 3.95Å; L25-E106 HydrophobicContact CD2-CG 4.13Å
26	D	87.6	Confident	85.1	Confident	46 Å²	46	28.4 Å²	28.4	25%	0.246	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	152.4	172.2	57.4	-79.6	0	0	0	110.3	A28 G70 Q71 R99	D26-A28 PolarHBondContact O-N 2.97Å; D26-G70 VanDerWaalsContact N-CA 3.32Å; D26-Q71 HydrophobicContact CB-CG 4.11Å; D26-R99 VanDerWaalsContact CG-NH1 3.35Å; D26-R99 IonicContact OD1-NH1 3.44Å; D26-R99 PolarHBondContact OD1-NH1 2.99Å; D26-R99 IonicContact OD2-CZ 3.61Å; D26-R99 IonicContact OD2-NH1 2.94Å; D26-R99 PolarHBondContact OD2-NH1 3.05Å; D26-R99 IonicContact OD2-NH2 3.62Å
27	A	89.3	Confident	85.8	Confident	65 Å²	65	25.2 Å²	25.2	54%	0.537	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	2	-174.7	0	0	0	0	0	116.4	G29 K127	A27-G29 PolarHBondContact O-N 3.21Å; A27-G29 VanDerWaalsContact O-N 3.15Å; A27-K127 WeakPolarHBondContact O-CE 3.42Å; A27-K127 PolarHBondContact O-NZ 2.65Å
28	A	93	Very high	86.1	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.008	12%	0.116	C	C	.	.	S	Bend	trans	-64.1	-18.2	177.5	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.29Å; L25-A28 PolarHBondContact O-N 2.85Å; D26-A28 PolarHBondContact O-N 2.97Å; A28-V91 HydrophobicContact CB-CB 4.3Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.18Å; A28-V91 WeakPolarHBondContact O-CG1 3.44Å; A28-N126 PolarHBondContact O-ND2 3.5Å
29	G	91.5	Very high	85.4	Confident	11 Å²	11	26.4 Å²	26.4	11%	0.113	14%	0.138	C	C	.	.	S	Bend	trans	102.8	15.6	175.9	0	0	0	0	0	115.6	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 3.21Å; A27-G29 VanDerWaalsContact O-N 3.15Å; G29-T31 PolarHBondContact O-N 3.4Å; G29-T32 WeakPolarHBondContact O-CB 3.27Å; G29-T32 PolarHBondContact O-N 3.22Å; G29-I33 WeakPolarHBondContact O-CG1 3.4Å; G29-I33 PolarHBondContact O-N 3.36Å
30	K	89.1	Confident	84.3	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-52.6	-50.6	177.8	-58.3	-177.7	-63.2	-79.1	0	112.9	M22 V23 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.49Å; M22-K30 HydrophobicContact CG-CG 4.41Å; V23-K30 VanDerWaalsContact C-CD 3.45Å; G24-K30 PolarHBondContact O-NZ 3.04Å; L25-K30 PolarHBondContact O-NZ 3.26Å; K30-T32 VanDerWaalsContact C-N 3.35Å; K30-T32 PolarHBondContact O-N 2.78Å; K30-I33 PolarHBondContact O-N 2.96Å; K30-L34 WeakPolarHBondContact O-CB 3.41Å; K30-L34 PolarHBondContact O-N 2.56Å; K30-D67 VanDerWaalsContact CE-OD1 3.24Å; K30-D67 WeakPolarHBondContact CE-OD1 3.43Å; K30-V68 WeakPolarHBondContact CE-O 3.43Å; K30-V91 HydrophobicContact CG-CB 3.95Å; K30-V91 HydrophobicContact CG-CG2 3.87Å
31	T	83	Confident	82.2	Confident	18 Å²	18	32.7 Å²	32.7	11%	0.11	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178	-36.6	0	0	0	0	110.7	G29 I33 L34 Y35 T45 D67	G29-T31 PolarHBondContact O-N 3.4Å; T31-I33 VanDerWaalsContact C-N 3.34Å; T31-I33 PolarHBondContact O-N 3.37Å; T31-L34 WeakPolarHBondContact O-CB 3.37Å; T31-L34 PolarHBondContact O-N 2.98Å; T31-L34 VanDerWaalsContact O-N 3.16Å; T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.27Å; T31-Y35 WeakPolarHBondContact O-CD2 3.23Å; T31-Y35 PolarHBondContact O-N 3.46Å; T31-T45 HydrophobicContact CG2-CG2 3.92Å; T31-D67 PolarHBondContact OG1-OD2 3.41Å
32	T	88.4	Confident	80.2	Confident	19 Å²	19	38 Å²	38	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-44.5	178.1	-43.7	0	0	0	0	111.3	G29 K30 Y35 K36 T45 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.27Å; G29-T32 PolarHBondContact O-N 3.22Å; K30-T32 VanDerWaalsContact C-N 3.35Å; K30-T32 PolarHBondContact O-N 2.78Å; T32-Y35 PolarHBondContact O-N 3.48Å; T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.15Å; T32-K36 PolarHBondContact O-N 2.79Å; T32-T45 PolarHBondContact OG1-OG1 2.98Å; T32-A160 HydrophobicContact CG2-CB 3.82Å; T32-T161 HydrophobicContact CG2-CG2 4.22Å
33	I	89.3	Confident	78	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-48.6	174.4	-67	171.7	0	0	0	110.3	M22 G29 K30 T31 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CG2 4.23Å; M22-I33 HydrophobicContact SD-CB 4.28Å; M22-I33 HydrophobicContact SD-CG2 3.93Å; G29-I33 WeakPolarHBondContact O-CG1 3.4Å; G29-I33 PolarHBondContact O-N 3.36Å; K30-I33 PolarHBondContact O-N 2.96Å; T31-I33 VanDerWaalsContact C-N 3.34Å; T31-I33 PolarHBondContact O-N 3.37Å; I33-Y35 PolarHBondContact O-N 3.49Å; I33-K36 PolarHBondContact O-N 2.64Å; I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.34Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.81Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 3.98Å; I33-F124 HydrophobicContact CD1-CB 4.49Å; I33-F124 HydrophobicContact CD1-CD2 3.91Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.4Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.53Å; I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.87Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 4.05Å
34	L	84.7	Confident	75.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-53.1	179.1	172.1	59.1	0	0	0	111.8	M22 K30 T31 K36 L37 K38 E54 V56 V65	M22-L34 HydrophobicContact CE-CB 4.17Å; K30-L34 WeakPolarHBondContact O-CB 3.41Å; K30-L34 PolarHBondContact O-N 2.56Å; T31-L34 WeakPolarHBondContact O-CB 3.37Å; T31-L34 PolarHBondContact O-N 2.98Å; T31-L34 VanDerWaalsContact O-N 3.16Å; L34-K36 PolarHBondContact O-N 2.6Å; L34-L37 PolarHBondContact O-N 3.04Å; L34-K38 WeakPolarHBondContact O-CB 3.16Å; L34-K38 PolarHBondContact O-N 3.17Å; L34-E54 HydrophobicContact CD1-CB 3.88Å; L34-E54 HydrophobicContact CD2-CB 3.86Å; L34-E54 HydrophobicContact CD2-CG 3.99Å; L34-E54 HydrophobicContact CG-CB 4.36Å; L34-V56 HydrophobicContact CD1-CG2 3.28Å; L34-V65 HydrophobicContact CB-CG1 4.36Å; L34-V65 HydrophobicContact CD1-CB 3.85Å; L34-V65 HydrophobicContact CD1-CG1 3.92Å; L34-V65 HydrophobicContact CD1-CG2 4.04Å; L34-V65 HydrophobicContact CD2-CG1 3.96Å; L34-V65 HydrophobicContact CG-CG1 4.3Å
35	Y	80.7	Confident	73.7	Confident	72 Å²	72	49.5 Å²	49.5	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-39.2	179.8	-82.2	-82.7	0	0	0	112.6	T31 T32 I33 L37 K38 L39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.27Å; T31-Y35 WeakPolarHBondContact O-CD2 3.23Å; T31-Y35 PolarHBondContact O-N 3.46Å; T32-Y35 PolarHBondContact O-N 3.48Å; I33-Y35 PolarHBondContact O-N 3.49Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 3.16Å; Y35-K38 PolarHBondContact O-N 3.26Å; Y35-L39 HydrophobicContact CD1-CD1 3.84Å; Y35-L39 PolarHBondContact O-N 3.03Å; Y35-V43 HydrophobicContact CD1-CB 4.42Å; Y35-V43 HydrophobicContact CD1-CG1 4.47Å; Y35-V43 HydrophobicContact CD1-CG2 4.12Å; Y35-V43 HydrophobicContact CG-CB 4.26Å; Y35-V43 HydrophobicContact CG-CG1 4.5Å; Y35-V43 HydrophobicContact CG-CG2 4.34Å; Y35-T45 HydrophobicContact CD2-CG2 4.4Å
36	K	85.3	Confident	71.6	Confident	28 Å²	28	56 Å²	56	12%	0.122	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-41.4	176.6	-171	70.7	177.9	-165.2	0	111.4	T32 I33 L34 G40 I42 T161 S162 L166	T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.15Å; T32-K36 PolarHBondContact O-N 2.79Å; I33-K36 PolarHBondContact O-N 2.64Å; L34-K36 PolarHBondContact O-N 2.6Å; K36-G40 WeakPolarHBondContact O-CA 3.43Å; K36-G40 PolarHBondContact O-N 2.79Å; K36-G40 VanDerWaalsContact O-N 3.16Å; K36-I42 VanDerWaalsContact NZ-CG1 3.26Å; K36-T161 PolarHBondContact NZ-O 3.03Å; K36-S162 WeakPolarHBondContact CE-O 3.16Å; K36-S162 VanDerWaalsContact NZ-C 3.35Å; K36-S162 PolarHBondContact NZ-O 2.82Å; K36-L166 HydrophobicContact CB-CD1 4.24Å; K36-L166 HydrophobicContact CG-CD1 3.94Å
37	L	80.1	Confident	69.6	Low	29 Å²	29	59.3 Å²	59.3	15%	0.152	34%	0.34	C	S	.	.	H	α-helix	trans	-73.3	-33.9	176.8	-65.1	171.4	0	0	0	112.9	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.34Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.81Å; L34-L37 PolarHBondContact O-N 3.04Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 3.16Å; L37-V56 HydrophobicContact CB-CG1 3.85Å; L37-L166 HydrophobicContact CD2-CB 4.4Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; L37-Y167 HydrophobicContact CD2-CE1 4.27Å; L37-L170 HydrophobicContact CD1-CD1 3.75Å; L37-L170 HydrophobicContact CD2-CD1 3.49Å; L37-L170 VanDerWaalsContact CD2-CD1 3.49Å; L37-L170 HydrophobicContact CG-CD1 4.27Å
38	K	73.2	Confident	67.8	Low	92 Å²	92	59 Å²	59	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-75.5	-40.4	-178.1	-119.1	-177.4	-179	-167.9	0	114	L34 Y35 E54 T55 V56	L34-K38 WeakPolarHBondContact O-CB 3.16Å; L34-K38 PolarHBondContact O-N 3.17Å; Y35-K38 PolarHBondContact O-N 3.26Å; K38-E54 WeakPolarHBondContact CD-OE2 3.4Å; K38-E54 WeakPolarHBondContact CE-OE2 3.27Å; K38-E54 IonicContact NZ-OE1 2.94Å; K38-E54 IonicContact NZ-OE2 3.93Å; K38-E54 PolarHBondContact NZ-OE2 3.02Å; K38-T55 WeakPolarHBondContact CE-O 3.46Å; K38-V56 HydrophobicContact CG-CG2 4.27Å
39	L	62.3	Low	65.4	Low	97 Å²	97	67.5 Å²	67.5	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-108.9	-13.3	-168.2	-60.7	177.2	0	0	0	112.9	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.84Å; Y35-L39 PolarHBondContact O-N 3.03Å; L39-E41 HydrophobicContact CB-CB 4.32Å; L39-E41 PolarHBondContact O-N 3.33Å; L39-V43 HydrophobicContact CD1-CG2 3.67Å
40	G	57.7	Low	63.4	Low	54 Å²	54	69 Å²	69	56%	0.557	39%	0.39	S	S	*	.	S	Bend	trans	65	1.5	-168.9	0	0	0	0	0	113.6	K36	K36-G40 WeakPolarHBondContact O-CA 3.43Å; K36-G40 PolarHBondContact O-N 2.79Å; K36-G40 VanDerWaalsContact O-N 3.16Å
41	E	42.5	Very low	61.9	Low	136 Å²	136	73.4 Å²	73.4	64%	0.636	41%	0.409	S	S	*	.	S	Bend	trans	-119.3	156.6	-173.5	-69	-174	174	0	0	111.6	L39 V43	L39-E41 HydrophobicContact CB-CB 4.32Å; L39-E41 PolarHBondContact O-N 3.33Å; E41-V43 PolarHBondContact O-N 3.01Å
42	I	44.9	Very low	60.8	Low	111 Å²	111	74.7 Å²	74.7	57%	0.569	42%	0.415	S	S	*	.			trans	-81.3	111.8	179.2	-54.4	-176.9	0	0	0	108.6	K36 T161	K36-I42 VanDerWaalsContact NZ-CG1 3.26Å; I42-T161 VanDerWaalsContact CD1-O 3.26Å; I42-T161 WeakPolarHBondContact CD1-O 3.42Å; I42-T161 VanDerWaalsContact CG1-O 3.24Å; I42-T161 WeakPolarHBondContact CG1-O 3.46Å
43	V	43.7	Very low	59.4	Low	48 Å²	48	76.9 Å²	76.9	29%	0.291	43%	0.429	S	S	.	.			trans	-104.3	118.9	170.9	-175.6	0	0	0	0	109.2	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD1-CB 4.42Å; Y35-V43 HydrophobicContact CD1-CG1 4.47Å; Y35-V43 HydrophobicContact CD1-CG2 4.12Å; Y35-V43 HydrophobicContact CG-CB 4.26Å; Y35-V43 HydrophobicContact CG-CG1 4.5Å; Y35-V43 HydrophobicContact CG-CG2 4.34Å; L39-V43 HydrophobicContact CD1-CG2 3.67Å; E41-V43 PolarHBondContact O-N 3.01Å; V43-T45 PolarHBondContact O-N 2.94Å
44	T	44.6	Very low	58.3	Low	140 Å²	140	78 Å²	78	86%	0.859	43%	0.434	S	S	*	.			trans	-64.6	112.8	166.7	12.6	0	0	0	0	109.4
45	T	46.3	Very low	57.3	Low	55 Å²	55	81.3 Å²	81.3	34%	0.337	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-89.2	135.2	-177.4	54.8	0	0	0	0	111.8	T31 T32 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.92Å; T32-T45 PolarHBondContact OG1-OG1 2.98Å; Y35-T45 HydrophobicContact CD2-CG2 4.4Å; V43-T45 PolarHBondContact O-N 2.94Å
46	I	46.3	Very low	56.7	Low	146 Å²	146	78.3 Å²	78.3	75%	0.749	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-92.3	143.6	166.7	-65	164.2	0	0	0	107.8	T48	I46-T48 PolarHBondContact O-N 2.99Å
47	P	45	Very low	55.9	Low	116 Å²	116	82.7 Å²	82.7	75%	0.753	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-50.7	122.6	176.9	-27.4	34.8	0	0	0	112.3
48	T	51.7	Low	55.4	Low	59 Å²	59	82.9 Å²	82.9	36%	0.362	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-74.6	133.2	-173.6	-0.6	0	0	0	0	111.7	I46	I46-T48 PolarHBondContact O-N 2.99Å
49	I	42.2	Very low	55.2	Low	178 Å²	178	84.7 Å²	84.7	91%	0.913	47%	0.471	S	S	*	.			trans	-97.6	109.2	167.8	-59.5	175.8	0	0	0	107.4
50	G	51.3	Low	55	Low	42 Å²	42	83.6 Å²	83.6	43%	0.433	47%	0.466	S	S	.	.	S	Bend	trans	107.1	-170.8	175.6	0	0	0	0	0	115.4
51	F	56.2	Low	55	Low	101 Å²	101	81.2 Å²	81.2	44%	0.443	44%	0.44	S	S	.	.			trans	-94.6	130.4	-177.5	-70.7	-96.2	0	0	0	111.1	V68 L77 Y81	F51-V68 HydrophobicContact CD1-CG1 3.92Å; F51-V68 HydrophobicContact CE1-CG1 3.77Å; F51-L77 HydrophobicContact CE1-CB 3.48Å; F51-L77 VanDerWaalsContact CE1-CB 3.48Å; F51-L77 HydrophobicContact CE1-CD1 4.01Å; F51-L77 HydrophobicContact CE1-CG 4.2Å; F51-L77 HydrophobicContact CE2-CD1 3.66Å; F51-L77 HydrophobicContact CZ-CB 3.36Å; F51-L77 HydrophobicContact CZ-CD1 3.08Å; F51-L77 HydrophobicContact CZ-CD2 3.92Å; F51-L77 HydrophobicContact CZ-CG 3.54Å; F51-Y81 HydrophobicContact CD1-CE2 4.23Å; F51-Y81 HydrophobicContact CE1-CE2 4.12Å
52	N	60	Low	55.8	Low	45 Å²	45	75.3 Å²	75.3	24%	0.241	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.6	172.4	-167	27.8	0	0	0	110.8	E54 D67	N52-E54 VanDerWaalsContact ND2-CD 3.25Å; N52-E54 WeakPolarHBondContact ND2-CG 3.11Å; N52-E54 PolarHBondContact ND2-OE1 3.1Å; N52-D67 HydrophobicContact CB-CB 4.33Å; N52-D67 PolarHBondContact N-O 3.19Å; N52-D67 PolarHBondContact O-N 3.19Å
53	V	60.4	Low	56.8	Low	66 Å²	66	70.4 Å²	70.4	40%	0.4	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.8	-179.8	-169.7	0	0	0	0	107.1	T64 W66	V53-T64 HydrophobicContact CG1-CG2 3.56Å; V53-W66 HydrophobicContact CB-CE3 3.99Å; V53-W66 HydrophobicContact CB-CH2 4.4Å; V53-W66 HydrophobicContact CB-CZ3 3.88Å; V53-W66 HydrophobicContact CG1-CD2 3.87Å; V53-W66 HydrophobicContact CG1-CE3 3.6Å; V53-W66 HydrophobicContact CG1-CH2 3.5Å; V53-W66 HydrophobicContact CG1-CZ2 3.75Å; V53-W66 HydrophobicContact CG1-CZ3 3.41Å; V53-W66 VanDerWaalsContact CG1-CZ3 3.41Å; V53-W66 HydrophobicContact CG2-CD2 4.31Å; V53-W66 HydrophobicContact CG2-CE3 3.3Å; V53-W66 HydrophobicContact CG2-CH2 4.05Å; V53-W66 HydrophobicContact CG2-CZ3 3.14Å
54	E	65.5	Low	57.5	Low	23 Å²	23	69.7 Å²	69.7	11%	0.107	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.9	-175.9	-66.3	-161.8	-178.3	0	0	111.3	L34 K38 N52 T64 V65	L34-E54 HydrophobicContact CD1-CB 3.88Å; L34-E54 HydrophobicContact CD2-CB 3.86Å; L34-E54 HydrophobicContact CD2-CG 3.99Å; L34-E54 HydrophobicContact CG-CB 4.36Å; K38-E54 WeakPolarHBondContact CD-OE2 3.4Å; K38-E54 WeakPolarHBondContact CE-OE2 3.27Å; K38-E54 IonicContact NZ-OE1 2.94Å; K38-E54 IonicContact NZ-OE2 3.93Å; K38-E54 PolarHBondContact NZ-OE2 3.02Å; N52-E54 VanDerWaalsContact ND2-CD 3.25Å; N52-E54 WeakPolarHBondContact ND2-CG 3.11Å; N52-E54 PolarHBondContact ND2-OE1 3.1Å; E54-T64 CarbonylContact O-C 3.53Å; E54-V65 PolarHBondContact N-O 3.03Å; E54-V65 WeakPolarHBondContact O-CA 3.44Å; E54-V65 WeakPolarHBondContact O-CB 3.36Å; E54-V65 PolarHBondContact O-N 3.09Å
55	T	63.4	Low	58.4	Low	70 Å²	70	63.3 Å²	63.3	43%	0.429	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.7	172.1	-59.7	0	0	0	0	109.8	K38 S62 F63 T64	K38-T55 WeakPolarHBondContact CE-O 3.46Å; T55-S62 WeakPolarHBondContact CG2-OG 3.47Å; T55-F63 WeakPolarHBondContact CA-O 3.44Å; T55-T64 PolarHBondContact OG1-OG1 3.35Å
56	V	68.7	Low	59.2	Low	8 Å²	8	62.3 Å²	62.3	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	174.3	-175	0	0	0	0	108.1	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.28Å; L37-V56 HydrophobicContact CB-CG1 3.85Å; K38-V56 HydrophobicContact CG-CG2 4.27Å; V56-F63 PolarHBondContact N-O 2.94Å; V56-F63 PolarHBondContact O-N 3.18Å; V56-V65 HydrophobicContact CG2-CG2 4.12Å
57	E	68.8	Low	60	Low	121 Å²	121	55.6 Å²	55.6	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.8	170.3	-62.7	-159.8	160.1	0	0	110	K15	K15-E57 IonicContact NZ-OE1 3.95Å; K15-E57 PolarHBondContact NZ-OE1 3.38Å; K15-E57 IonicContact NZ-OE2 2.64Å; K15-E57 PolarHBondContact NZ-OE2 3.36Å
58	Y	69.1	Low	60.7	Low	33 Å²	33	50.1 Å²	50.1	13%	0.129	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119	171.9	-178.6	-110.7	0	0	0	110.7	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 2.8Å; Y58-I61 CarbonylContact C-O 3.37Å; Y58-I61 PolarHBondContact N-O 3.31Å; Y58-I61 PolarHBondContact O-N 2.85Å; Y58-F63 HydrophobicContact CD1-CE2 4.49Å; Y58-Y167 HydrophobicContact CD2-CD1 4.2Å; Y58-Y167 HydrophobicContact CD2-CE1 4.12Å; Y58-Y167 AromaticContact CE2-CD1 3.34Å; Y58-Y167 HydrophobicContact CE2-CD1 3.34Å; Y58-Y167 AromaticContact CE2-CE1 3.59Å; Y58-Y167 HydrophobicContact CE2-CE1 3.59Å; Y58-Y167 AromaticContact CZ-CD1 3.75Å; Y58-L170 HydrophobicContact CD1-CB 4.05Å; Y58-L170 HydrophobicContact CD1-CD1 4.44Å; Y58-L170 HydrophobicContact CE1-CB 3.87Å; Y58-L170 HydrophobicContact CG-CD1 4.45Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.37Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.28Å; Y58-D171 PolarHBondContact OH-OD1 2.72Å
59	K	67.8	Low	61.1	Low	130 Å²	130	47.8 Å²	47.8	57%	0.565	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-121.7	-172	-63.8	178.6	172.6	171.7	0	110.9	I61 D171	K59-I61 VanDerWaalsContact C-N 3.34Å; K59-D171 WeakPolarHBondContact CE-OD1 3.24Å; K59-D171 IonicContact NZ-OD1 3.87Å; K59-D171 PolarHBondContact NZ-OD1 3.13Å; K59-D171 IonicContact NZ-OD2 2.65Å; K59-D171 PolarHBondContact NZ-OD2 2.98Å
60	N	58.3	Low	62	Low	73 Å²	73	39.4 Å²	39.4	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	18.6	-179.4	70.7	-61.3	0	0	0	112.6	Y58 K178	Y58-N60 PolarHBondContact O-N 2.8Å; N60-K178 WeakPolarHBondContact OD1-CE 3.31Å; N60-K178 PolarHBondContact OD1-NZ 3.04Å
61	I	57.3	Low	62.9	Low	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.2	-175.1	-43.1	173.9	0	0	0	109.8	M18 Y58 K59 F63 A174	M18-I61 HydrophobicContact CB-CG2 3.64Å; M18-I61 HydrophobicContact CG-CG2 3.46Å; M18-I61 VanDerWaalsContact CG-CG2 3.46Å; Y58-I61 CarbonylContact C-O 3.37Å; Y58-I61 PolarHBondContact N-O 3.31Å; Y58-I61 PolarHBondContact O-N 2.85Å; K59-I61 VanDerWaalsContact C-N 3.34Å; I61-F63 HydrophobicContact CB-CD1 4.47Å; I61-F63 HydrophobicContact CB-CD2 4.41Å; I61-F63 HydrophobicContact CB-CE1 3.84Å; I61-F63 HydrophobicContact CB-CE2 3.72Å; I61-F63 HydrophobicContact CB-CZ 3.44Å; I61-F63 VanDerWaalsContact CB-CZ 3.44Å; I61-F63 HydrophobicContact CD1-CE1 4.3Å; I61-F63 HydrophobicContact CD1-CE2 4.41Å; I61-F63 HydrophobicContact CD1-CZ 3.64Å; I61-F63 HydrophobicContact CG1-CZ 4.13Å; I61-F63 HydrophobicContact CG2-CD1 3.57Å; I61-F63 HydrophobicContact CG2-CD2 4.33Å; I61-F63 HydrophobicContact CG2-CE1 3.03Å; I61-F63 HydrophobicContact CG2-CE2 3.85Å; I61-F63 HydrophobicContact CG2-CG 4.25Å; I61-F63 HydrophobicContact CG2-CZ 3.22Å; I61-A174 HydrophobicContact CD1-CB 3.42Å; I61-A174 VanDerWaalsContact CD1-CB 3.42Å
62	S	60.7	Low	63.7	Low	13 Å²	13	42.4 Å²	42.4	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.1	171.1	-176.5	0	0	0	0	107.8	M18 T55	M18-S62 PolarHBondContact N-O 3.03Å; M18-S62 VanDerWaalsContact N-O 3.08Å; T55-S62 WeakPolarHBondContact CG2-OG 3.47Å
63	F	64.6	Low	64.4	Low	7 Å²	7	49.2 Å²	49.2	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.7	-177	-58.9	-60	0	0	0	110.3	M18 I20 T55 V56 Y58 I61 V65 L177	M18-F63 HydrophobicContact CB-CD1 3.9Å; M18-F63 HydrophobicContact CB-CE1 3.8Å; M18-F63 HydrophobicContact CG-CE1 4.41Å; I20-F63 HydrophobicContact CB-CB 4.12Å; I20-F63 HydrophobicContact CB-CD1 3.95Å; I20-F63 HydrophobicContact CB-CG 4.33Å; I20-F63 HydrophobicContact CD1-CB 4.35Å; I20-F63 HydrophobicContact CD1-CD1 3.04Å; I20-F63 HydrophobicContact CD1-CD2 4.29Å; I20-F63 HydrophobicContact CD1-CE1 3Å; I20-F63 HydrophobicContact CD1-CE2 4.3Å; I20-F63 HydrophobicContact CD1-CG 3.67Å; I20-F63 HydrophobicContact CD1-CZ 3.67Å; I20-F63 HydrophobicContact CG1-CB 4.42Å; I20-F63 HydrophobicContact CG1-CD1 3.3Å; I20-F63 HydrophobicContact CG1-CE1 3.64Å; I20-F63 HydrophobicContact CG1-CG 4.09Å; T55-F63 WeakPolarHBondContact CA-O 3.44Å; V56-F63 PolarHBondContact N-O 2.94Å; V56-F63 PolarHBondContact O-N 3.18Å; Y58-F63 HydrophobicContact CD1-CE2 4.49Å; I61-F63 HydrophobicContact CB-CD1 4.47Å; I61-F63 HydrophobicContact CB-CD2 4.41Å; I61-F63 HydrophobicContact CB-CE1 3.84Å; I61-F63 HydrophobicContact CB-CE2 3.72Å; I61-F63 HydrophobicContact CB-CZ 3.44Å; I61-F63 VanDerWaalsContact CB-CZ 3.44Å; I61-F63 HydrophobicContact CD1-CE1 4.3Å; I61-F63 HydrophobicContact CD1-CE2 4.41Å; I61-F63 HydrophobicContact CD1-CZ 3.64Å; I61-F63 HydrophobicContact CG1-CZ 4.13Å; I61-F63 HydrophobicContact CG2-CD1 3.57Å; I61-F63 HydrophobicContact CG2-CD2 4.33Å; I61-F63 HydrophobicContact CG2-CE1 3.03Å; I61-F63 HydrophobicContact CG2-CE2 3.85Å; I61-F63 HydrophobicContact CG2-CG 4.25Å; I61-F63 HydrophobicContact CG2-CZ 3.22Å; F63-V65 PolarHBondContact O-N 2.77Å; F63-L177 HydrophobicContact CE1-CD1 3.99Å
64	T	59	Low	65.1	Low	34 Å²	34	48.2 Å²	48.2	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	95.6	177	-53.6	0	0	0	0	111.2	I20 V53 E54 T55 W66	I20-T64 CarbonylContact O-C 3.59Å; V53-T64 HydrophobicContact CG1-CG2 3.56Å; E54-T64 CarbonylContact O-C 3.53Å; T55-T64 PolarHBondContact OG1-OG1 3.35Å; T64-W66 HydrophobicContact CG2-CZ2 3.87Å; T64-W66 PolarHBondContact O-NE1 3.03Å
65	V	63.6	Low	65.7	Low	6 Å²	6	47.9 Å²	47.9	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.7	174.1	169.8	0	0	0	0	110.2	M22 L34 E54 V56 F63	M22-V65 HydrophobicContact CB-CG1 4.12Å; M22-V65 HydrophobicContact CE-CB 4.16Å; M22-V65 HydrophobicContact CE-CG1 3.27Å; M22-V65 HydrophobicContact CE-CG2 3.77Å; L34-V65 HydrophobicContact CB-CG1 4.36Å; L34-V65 HydrophobicContact CD1-CB 3.85Å; L34-V65 HydrophobicContact CD1-CG1 3.92Å; L34-V65 HydrophobicContact CD1-CG2 4.04Å; L34-V65 HydrophobicContact CD2-CG1 3.96Å; L34-V65 HydrophobicContact CG-CG1 4.3Å; E54-V65 PolarHBondContact N-O 3.03Å; E54-V65 WeakPolarHBondContact O-CA 3.44Å; E54-V65 WeakPolarHBondContact O-CB 3.36Å; E54-V65 PolarHBondContact O-N 3.09Å; V56-V65 HydrophobicContact CG2-CG2 4.12Å; F63-V65 PolarHBondContact O-N 2.77Å
66	W	63.4	Low	66.6	Low	34 Å²	34	47.7 Å²	47.7	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	98.2	169.5	-53.1	77	0	0	0	107.3	L21 V53 T64 V68 Y81	L21-W66 HydrophobicContact CD1-CB 3.56Å; L21-W66 HydrophobicContact CD1-CG 3.77Å; V53-W66 HydrophobicContact CB-CE3 3.99Å; V53-W66 HydrophobicContact CB-CH2 4.4Å; V53-W66 HydrophobicContact CB-CZ3 3.88Å; V53-W66 HydrophobicContact CG1-CD2 3.87Å; V53-W66 HydrophobicContact CG1-CE3 3.6Å; V53-W66 HydrophobicContact CG1-CH2 3.5Å; V53-W66 HydrophobicContact CG1-CZ2 3.75Å; V53-W66 HydrophobicContact CG1-CZ3 3.41Å; V53-W66 VanDerWaalsContact CG1-CZ3 3.41Å; V53-W66 HydrophobicContact CG2-CD2 4.31Å; V53-W66 HydrophobicContact CG2-CE3 3.3Å; V53-W66 HydrophobicContact CG2-CH2 4.05Å; V53-W66 HydrophobicContact CG2-CZ3 3.14Å; T64-W66 HydrophobicContact CG2-CZ2 3.87Å; T64-W66 PolarHBondContact O-NE1 3.03Å; W66-V68 HydrophobicContact CB-CG2 3.82Å; W66-V68 PolarHBondContact O-N 3.47Å; W66-Y81 HydrophobicContact CB-CD2 4.32Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.44Å; W66-Y81 HydrophobicContact CD2-CD1 3.44Å; W66-Y81 VanDerWaalsContact CD2-CD1 3.44Å; W66-Y81 HydrophobicContact CD2-CD2 4.12Å; W66-Y81 AromaticContact CD2-CE1 3.84Å; W66-Y81 HydrophobicContact CD2-CE1 3.84Å; W66-Y81 HydrophobicContact CD2-CE2 4.39Å; W66-Y81 AromaticContact CD2-CG 3.59Å; W66-Y81 HydrophobicContact CD2-CG 3.59Å; W66-Y81 AromaticContact CE2-CD1 3.77Å; W66-Y81 AromaticContact CE3-CD1 3.16Å; W66-Y81 HydrophobicContact CE3-CD1 3.16Å; W66-Y81 AromaticContact CE3-CD2 3.92Å; W66-Y81 HydrophobicContact CE3-CD2 3.92Å; W66-Y81 AromaticContact CE3-CE1 3.02Å; W66-Y81 HydrophobicContact CE3-CE1 3.02Å; W66-Y81 AromaticContact CE3-CE2 3.75Å; W66-Y81 HydrophobicContact CE3-CE2 3.75Å; W66-Y81 AromaticContact CE3-CG 3.62Å; W66-Y81 HydrophobicContact CE3-CG 3.62Å; W66-Y81 AromaticContact CE3-CZ 3.27Å; W66-Y81 HydrophobicContact CG-CD1 4.28Å; W66-Y81 HydrophobicContact CG-CD2 4.28Å; W66-Y81 AromaticContact CG-CG 3.95Å; W66-Y81 HydrophobicContact CG-CG 3.95Å; W66-Y81 AromaticContact CH2-CD1 3.63Å; W66-Y81 HydrophobicContact CH2-CD1 3.63Å; W66-Y81 AromaticContact CH2-CE1 3.57Å; W66-Y81 HydrophobicContact CH2-CE1 3.57Å; W66-Y81 AromaticContact CZ2-CD1 3.89Å; W66-Y81 HydrophobicContact CZ2-CD1 3.89Å; W66-Y81 HydrophobicContact CZ2-CE1 4.3Å; W66-Y81 AromaticContact CZ3-CD1 3.26Å; W66-Y81 HydrophobicContact CZ3-CD1 3.26Å; W66-Y81 AromaticContact CZ3-CE1 2.84Å; W66-Y81 HydrophobicContact CZ3-CE1 2.84Å; W66-Y81 HydrophobicContact CZ3-CE2 4.37Å; W66-Y81 HydrophobicContact CZ3-CG 4.19Å; W66-Y81 AromaticContact CZ3-CZ 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CZ 3.45Å
67	D	63	Low	67	Low	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	83.7	168.3	-175.1	22.4	0	0	0	107.2	K30 T31 N52	K30-D67 VanDerWaalsContact CE-OD1 3.24Å; K30-D67 WeakPolarHBondContact CE-OD1 3.43Å; T31-D67 PolarHBondContact OG1-OD2 3.41Å; N52-D67 HydrophobicContact CB-CB 4.33Å; N52-D67 PolarHBondContact N-O 3.19Å; N52-D67 PolarHBondContact O-N 3.19Å
68	V	59.3	Low	67.7	Low	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.22	C	C	.	.			trans	-86.4	115.6	171.2	-156.5	0	0	0	0	105.8	K30 F51 W66 G70 W78 Y81	K30-V68 WeakPolarHBondContact CE-O 3.43Å; F51-V68 HydrophobicContact CD1-CG1 3.92Å; F51-V68 HydrophobicContact CE1-CG1 3.77Å; W66-V68 HydrophobicContact CB-CG2 3.82Å; W66-V68 PolarHBondContact O-N 3.47Å; V68-G70 PolarHBondContact O-N 3.33Å; V68-W78 HydrophobicContact CB-CG 4.41Å; V68-W78 VanDerWaalsContact CB-NE1 3.32Å; V68-W78 HydrophobicContact CG1-CG 4.41Å; V68-W78 VanDerWaalsContact CG1-NE1 3.35Å; V68-Y81 HydrophobicContact CG2-CD2 3.85Å; V68-Y81 HydrophobicContact CG2-CE2 3.88Å
69	G	61.4	Low	68.3	Low	11 Å²	11	49.5 Å²	49.5	11%	0.113	24%	0.239	C	C	.	.			trans	-50	138.6	179.5	0	0	0	0	0	109.8	Q71 I74	G69-Q71 VanDerWaalsContact C-N 3.27Å; G69-Q71 PolarHBondContact O-N 2.85Å; G69-I74 WeakPolarHBondContact O-CD1 3.44Å; G69-I74 WeakPolarHBondContact O-CG1 3.4Å
70	G	60.5	Low	69	Low	1 Å²	1	49 Å²	49	1%	0.01	24%	0.239	C	C	.	.			trans	-90.1	11.4	-171.5	0	0	0	0	0	114.2	G24 D26 V68 R75	G24-G70 WeakPolarHBondContact O-CA 3.2Å; D26-G70 VanDerWaalsContact N-CA 3.32Å; V68-G70 PolarHBondContact O-N 3.33Å; G70-R75 PolarHBondContact O-NE 2.85Å; G70-R75 PolarHBondContact O-NH2 2.72Å
71	Q	69.9	Low	70.1	Confident	102 Å²	102	47.4 Å²	47.4	48%	0.477	23%	0.227	S	C	.	.	S	Bend	trans	-69.8	140.3	175.5	-59.1	177.8	16.8	0	0	109.7	D26 G69 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.11Å; G69-Q71 VanDerWaalsContact C-N 3.27Å; G69-Q71 PolarHBondContact O-N 2.85Å; Q71-K73 PolarHBondContact O-N 3.21Å; Q71-I74 HydrophobicContact CB-CD1 4.29Å; Q71-I74 HydrophobicContact CB-CG1 4.07Å; Q71-I74 WeakPolarHBondContact O-CG1 3.07Å; Q71-I74 PolarHBondContact O-N 3.39Å; Q71-R75 PolarHBondContact O-N 3.47Å
72	D	73.3	Confident	71.6	Confident	104 Å²	104	47.5 Å²	47.5	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.1	-42.7	-174	-58.2	-4.7	0	0	0	113.8	I74 R75	D72-I74 PolarHBondContact O-N 3.29Å; D72-R75 PolarHBondContact O-N 3.41Å; D72-R75 IonicContact OD1-CZ 3.59Å; D72-R75 IonicContact OD1-NE 3.7Å; D72-R75 IonicContact OD1-NH1 3.67Å; D72-R75 PolarHBondContact OD1-NH1 3.08Å; D72-R75 IonicContact OD1-NH2 2.7Å; D72-R75 PolarHBondContact OD1-NH2 2.94Å
73	K	74.6	Confident	72.8	Confident	189 Å²	189	52.6 Å²	52.6	82%	0.822	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.7	-175.2	-66.6	-177.4	180	177.1	0	114.3	Q71	Q71-K73 PolarHBondContact O-N 3.21Å
74	I	75.2	Confident	73.7	Confident	44 Å²	44	58.8 Å²	58.8	23%	0.226	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.3	-173.5	53.8	171.1	0	0	0	113.4	G69 Q71 D72 P76 L77	G69-I74 WeakPolarHBondContact O-CD1 3.44Å; G69-I74 WeakPolarHBondContact O-CG1 3.4Å; Q71-I74 HydrophobicContact CB-CD1 4.29Å; Q71-I74 HydrophobicContact CB-CG1 4.07Å; Q71-I74 WeakPolarHBondContact O-CG1 3.07Å; Q71-I74 PolarHBondContact O-N 3.39Å; D72-I74 PolarHBondContact O-N 3.29Å; I74-P76 VanDerWaalsContact C-N 3.33Å; I74-L77 HydrophobicContact CB-CD1 4.01Å; I74-L77 HydrophobicContact CG2-CD1 4.11Å; I74-L77 VanDerWaalsContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CB 3Å; I74-L77 PolarHBondContact O-N 3.29Å; I74-L77 VanDerWaalsContact O-N 3.09Å
75	R	78.3	Confident	75.1	Confident	17 Å²	17	57.5 Å²	57.5	6%	0.064	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.7	-35.9	172.9	-61.7	-176.4	-171.2	157.4	7.4	114.7	G70 Q71 D72 L77 W78 E102 E106	G70-R75 PolarHBondContact O-NE 2.85Å; G70-R75 PolarHBondContact O-NH2 2.72Å; Q71-R75 PolarHBondContact O-N 3.47Å; D72-R75 PolarHBondContact O-N 3.41Å; D72-R75 IonicContact OD1-CZ 3.59Å; D72-R75 IonicContact OD1-NE 3.7Å; D72-R75 IonicContact OD1-NH1 3.67Å; D72-R75 PolarHBondContact OD1-NH1 3.08Å; D72-R75 IonicContact OD1-NH2 2.7Å; D72-R75 PolarHBondContact OD1-NH2 2.94Å; R75-L77 PolarHBondContact O-N 3.03Å; R75-W78 HydrophobicContact CB-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.21Å; R75-W78 HydrophobicContact CG-CZ2 3.9Å; R75-W78 VanDerWaalsContact O-CB 3.29Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å; R75-W78 PolarHBondContact O-N 3.3Å; R75-E102 IonicContact CZ-OE1 3.95Å; R75-E102 IonicContact NH1-OE1 3.87Å; R75-E102 PolarHBondContact NH1-OE1 3.37Å; R75-E102 IonicContact NH2-OE1 3.21Å; R75-E102 PolarHBondContact NH2-OE1 3.36Å; R75-E106 VanDerWaalsContact CD-CD 3.48Å; R75-E106 WeakPolarHBondContact CD-OE1 3.47Å; R75-E106 IonicContact CZ-OE1 2.91Å; R75-E106 IonicContact NH1-OE1 3.54Å; R75-E106 PolarHBondContact NH1-OE1 3.14Å
76	P	82.8	Confident	76.4	Confident	65 Å²	65	60 Å²	60	42%	0.422	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55	-25.4	176.6	-29.6	37.5	0	0	0	113.8	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.33Å; P76-W78 VanDerWaalsContact C-N 3.26Å; P76-W78 PolarHBondContact O-N 3.2Å; P76-R79 VanDerWaalsContact O-CG 3.28Å; P76-R79 WeakPolarHBondContact O-CG 3.3Å; P76-R79 PolarHBondContact O-NE 2.89Å
77	L	76.5	Confident	77.8	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.283	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-79.1	-12.7	-174.3	-57.3	152.7	0	0	0	112.2	F51 I74 R75 R79 H80	F51-L77 HydrophobicContact CE1-CB 3.48Å; F51-L77 VanDerWaalsContact CE1-CB 3.48Å; F51-L77 HydrophobicContact CE1-CD1 4.01Å; F51-L77 HydrophobicContact CE1-CG 4.2Å; F51-L77 HydrophobicContact CE2-CD1 3.66Å; F51-L77 HydrophobicContact CZ-CB 3.36Å; F51-L77 HydrophobicContact CZ-CD1 3.08Å; F51-L77 HydrophobicContact CZ-CD2 3.92Å; F51-L77 HydrophobicContact CZ-CG 3.54Å; I74-L77 HydrophobicContact CB-CD1 4.01Å; I74-L77 HydrophobicContact CG2-CD1 4.11Å; I74-L77 VanDerWaalsContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CB 3Å; I74-L77 PolarHBondContact O-N 3.29Å; I74-L77 VanDerWaalsContact O-N 3.09Å; R75-L77 PolarHBondContact O-N 3.03Å; L77-R79 PolarHBondContact O-N 3.11Å; L77-H80 PolarHBondContact O-CD2 3.37Å; L77-H80 PolarHBondContact O-N 3.1Å
78	W	82.9	Confident	79.2	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.015	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-56.2	-36.1	176	-64.9	8	0	0	0	111.2	V23 V68 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.49Å; V23-W78 HydrophobicContact CB-CE3 4.46Å; V23-W78 HydrophobicContact CB-CH2 4.43Å; V23-W78 HydrophobicContact CB-CZ2 4.45Å; V23-W78 HydrophobicContact CB-CZ3 4.44Å; V23-W78 HydrophobicContact CG1-CD2 4.17Å; V23-W78 HydrophobicContact CG1-CG 4.4Å; V68-W78 HydrophobicContact CB-CG 4.41Å; V68-W78 VanDerWaalsContact CB-NE1 3.32Å; V68-W78 HydrophobicContact CG1-CG 4.41Å; V68-W78 VanDerWaalsContact CG1-NE1 3.35Å; R75-W78 HydrophobicContact CB-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.21Å; R75-W78 HydrophobicContact CG-CZ2 3.9Å; R75-W78 VanDerWaalsContact O-CB 3.29Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å; R75-W78 PolarHBondContact O-N 3.3Å; P76-W78 VanDerWaalsContact C-N 3.26Å; P76-W78 PolarHBondContact O-N 3.2Å; W78-H80 PolarHBondContact O-N 3.06Å; W78-H80 VanDerWaalsContact O-N 3.15Å; W78-Y81 PolarHBondContact O-N 3.46Å; W78-F82 HydrophobicContact CB-CE1 3.79Å; W78-F82 HydrophobicContact CB-CZ 3.8Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.48Å; W78-F82 WeakPolarHBondContact O-CE1 2.98Å; W78-E106 HydrophobicContact CZ3-CB 4.22Å; W78-M110 HydrophobicContact CD2-SD 4.43Å; W78-M110 HydrophobicContact CE3-CE 4.25Å; W78-M110 HydrophobicContact CE3-CG 3.97Å; W78-M110 HydrophobicContact CE3-SD 3.31Å; W78-M110 HydrophobicContact CZ3-CG 4.29Å; W78-M110 HydrophobicContact CZ3-SD 3.46Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.32Å
79	R	82.9	Confident	80.9	Confident	142 Å²	142	58.5 Å²	58.5	54%	0.536	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.3	-29.9	-177.3	78.5	-173.7	72.1	-175.1	-5.2	114.3	P76 L77 Y81 F82	P76-R79 VanDerWaalsContact O-CG 3.28Å; P76-R79 WeakPolarHBondContact O-CG 3.3Å; P76-R79 PolarHBondContact O-NE 2.89Å; L77-R79 PolarHBondContact O-N 3.11Å; R79-Y81 PolarHBondContact O-N 2.98Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.08Å; R79-F82 HydrophobicContact CB-CE2 3.85Å; R79-F82 HydrophobicContact CB-CZ 4.41Å; R79-F82 PolarHBondContact O-N 3.42Å
80	H	81.9	Confident	82.6	Confident	121 Å²	121	58 Å²	58	56%	0.56	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-66.6	-12.1	178.1	-60.4	-58.8	0	0	0	112.9	L77 W78	L77-H80 PolarHBondContact O-CD2 3.37Å; L77-H80 PolarHBondContact O-N 3.1Å; W78-H80 PolarHBondContact O-N 3.06Å; W78-H80 VanDerWaalsContact O-N 3.15Å
81	Y	80.8	Confident	84.3	Confident	38 Å²	38	58 Å²	58	15%	0.149	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.6	1.2	-178	-50.7	-54.6	0	0	0	113.5	R19 F51 W66 V68 W78 R79 T85	R19-Y81 PolarHBondContact NH1-O 3.39Å; F51-Y81 HydrophobicContact CD1-CE2 4.23Å; F51-Y81 HydrophobicContact CE1-CE2 4.12Å; W66-Y81 HydrophobicContact CB-CD2 4.32Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.44Å; W66-Y81 HydrophobicContact CD2-CD1 3.44Å; W66-Y81 VanDerWaalsContact CD2-CD1 3.44Å; W66-Y81 HydrophobicContact CD2-CD2 4.12Å; W66-Y81 AromaticContact CD2-CE1 3.84Å; W66-Y81 HydrophobicContact CD2-CE1 3.84Å; W66-Y81 HydrophobicContact CD2-CE2 4.39Å; W66-Y81 AromaticContact CD2-CG 3.59Å; W66-Y81 HydrophobicContact CD2-CG 3.59Å; W66-Y81 AromaticContact CE2-CD1 3.77Å; W66-Y81 AromaticContact CE3-CD1 3.16Å; W66-Y81 HydrophobicContact CE3-CD1 3.16Å; W66-Y81 AromaticContact CE3-CD2 3.92Å; W66-Y81 HydrophobicContact CE3-CD2 3.92Å; W66-Y81 AromaticContact CE3-CE1 3.02Å; W66-Y81 HydrophobicContact CE3-CE1 3.02Å; W66-Y81 AromaticContact CE3-CE2 3.75Å; W66-Y81 HydrophobicContact CE3-CE2 3.75Å; W66-Y81 AromaticContact CE3-CG 3.62Å; W66-Y81 HydrophobicContact CE3-CG 3.62Å; W66-Y81 AromaticContact CE3-CZ 3.27Å; W66-Y81 HydrophobicContact CG-CD1 4.28Å; W66-Y81 HydrophobicContact CG-CD2 4.28Å; W66-Y81 AromaticContact CG-CG 3.95Å; W66-Y81 HydrophobicContact CG-CG 3.95Å; W66-Y81 AromaticContact CH2-CD1 3.63Å; W66-Y81 HydrophobicContact CH2-CD1 3.63Å; W66-Y81 AromaticContact CH2-CE1 3.57Å; W66-Y81 HydrophobicContact CH2-CE1 3.57Å; W66-Y81 AromaticContact CZ2-CD1 3.89Å; W66-Y81 HydrophobicContact CZ2-CD1 3.89Å; W66-Y81 HydrophobicContact CZ2-CE1 4.3Å; W66-Y81 AromaticContact CZ3-CD1 3.26Å; W66-Y81 HydrophobicContact CZ3-CD1 3.26Å; W66-Y81 AromaticContact CZ3-CE1 2.84Å; W66-Y81 HydrophobicContact CZ3-CE1 2.84Å; W66-Y81 HydrophobicContact CZ3-CE2 4.37Å; W66-Y81 HydrophobicContact CZ3-CG 4.19Å; W66-Y81 AromaticContact CZ3-CZ 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CZ 3.45Å; V68-Y81 HydrophobicContact CG2-CD2 3.85Å; V68-Y81 HydrophobicContact CG2-CE2 3.88Å; W78-Y81 PolarHBondContact O-N 3.46Å; R79-Y81 PolarHBondContact O-N 2.98Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; Y81-T85 PolarHBondContact O-OG1 2.94Å
82	F	88.1	Confident	85.7	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.5	-177.8	-63.2	-10.8	0	0	0	112.9	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 3.68Å; W78-F82 HydrophobicContact CB-CE1 3.79Å; W78-F82 HydrophobicContact CB-CZ 3.8Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.48Å; W78-F82 WeakPolarHBondContact O-CE1 2.98Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.08Å; R79-F82 HydrophobicContact CB-CE2 3.85Å; R79-F82 HydrophobicContact CB-CZ 4.41Å; R79-F82 PolarHBondContact O-N 3.42Å; F82-N84 PolarHBondContact O-N 2.65Å; F82-T85 VanDerWaalsContact O-CB 3.23Å; F82-T85 WeakPolarHBondContact O-CB 3.37Å; F82-T85 PolarHBondContact O-N 3.48Å; F82-T85 PolarHBondContact O-OG1 3.04Å; F82-M110 HydrophobicContact CD1-CE 4.44Å; F82-M110 HydrophobicContact CE1-CE 3.5Å; F82-M110 HydrophobicContact CZ-CE 3.86Å; F82-M110 HydrophobicContact CZ-CG 4.08Å; F82-E113 HydrophobicContact CD2-CB 3.92Å; F82-E113 HydrophobicContact CD2-CG 3.93Å; F82-E113 HydrophobicContact CE2-CB 4.17Å; F82-E113 HydrophobicContact CE2-CG 3.68Å; F82-E115 HydrophobicContact CB-CB 3.7Å; F82-E115 HydrophobicContact CB-CG 4.47Å; F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4Å; 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 4.05Å; F82-L116 HydrophobicContact CD2-CD1 4.05Å; F82-L116 HydrophobicContact CD2-CG 4.23Å; F82-L116 HydrophobicContact CE1-CD1 3.85Å; F82-L116 HydrophobicContact CE2-CD1 4.25Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.17Å; F82-L116 HydrophobicContact CG-CG 3.79Å; F82-L116 HydrophobicContact CZ-CD1 4.14Å
83	Q	86.1	Confident	86.8	Confident	119 Å²	119	49.3 Å²	49.3	56%	0.556	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	135.3	-179.4	-70.3	-176.3	-17	0	0	111.9	R19 T85 E115	R19-Q83 PolarHBondContact NH1-O 3.04Å; Q83-T85 PolarHBondContact O-N 3.04Å; Q83-E115 HydrophobicContact CG-CG 4.08Å
84	N	84.2	Confident	88	Confident	138 Å²	138	40.3 Å²	40.3	74%	0.738	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	11.6	-180	-52.3	-41.5	0	0	0	115.3	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.41Å; F82-N84 PolarHBondContact O-N 2.65Å; N84-Q86 PolarHBondContact O-N 2.69Å
85	T	88.2	Confident	89.1	Confident	7 Å²	7	41 Å²	41	4%	0.043	20%	0.198	C	C	.	.			trans	-74.6	119.9	175.3	-74.2	0	0	0	0	110	L21 Y81 F82 Q83 G87 L116	L21-T85 HydrophobicContact CB-CG2 3.69Å; Y81-T85 PolarHBondContact O-OG1 2.94Å; F82-T85 VanDerWaalsContact O-CB 3.23Å; F82-T85 WeakPolarHBondContact O-CB 3.37Å; F82-T85 PolarHBondContact O-N 3.48Å; F82-T85 PolarHBondContact O-OG1 3.04Å; Q83-T85 PolarHBondContact O-N 3.04Å; T85-G87 WeakPolarHBondContact CG2-O 3.42Å; T85-L116 HydrophobicContact CG2-CD2 3.87Å
86	Q	90.9	Very high	90	Very high	59 Å²	59	41.6 Å²	41.6	28%	0.276	20%	0.202	S	C	.	.			trans	-96.2	-29.7	-175.7	-65.8	161	-75.7	0	0	112.1	M18 R19 N84 A119 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.25Å; M18-Q86 PolarHBondContact SD-NE2 3.38Å; R19-Q86 PolarHBondContact O-N 3.24Å; N84-Q86 PolarHBondContact O-N 2.69Å; Q86-A119 WeakPolarHBondContact O-CA 3.36Å; Q86-V120 PolarHBondContact O-N 3.4Å; Q86-L177 HydrophobicContact CB-CD2 4.02Å; Q86-L177 VanDerWaalsContact O-CD2 3.27Å; Q86-L177 WeakPolarHBondContact O-CD2 3.09Å
87	G	92.4	Very high	90.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.4	174.8	0	0	0	0	0	111.6	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 3.01Å; I20-G87 CarbonylContact C-O 3.53Å; I20-G87 VanDerWaalsContact CA-O 3.24Å; I20-G87 WeakPolarHBondContact CA-O 3.3Å; L21-G87 PolarHBondContact N-O 2.97Å; T85-G87 WeakPolarHBondContact CG2-O 3.42Å; G87-V120 CarbonylContact C-O 3.57Å; G87-V120 WeakPolarHBondContact CA-O 3.31Å
88	L	93.6	Very high	91.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.6	177.9	177.5	63.5	0	0	0	108.1	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.06Å; L21-L88 HydrophobicContact CD2-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.05Å; L21-L88 CarbonylContact O-C 3.59Å; L21-L88 WeakPolarHBondContact O-CA 3.42Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; L88-M110 HydrophobicContact CD1-CE 3.77Å; L88-M110 HydrophobicContact CD2-CE 4.25Å; L88-L111 HydrophobicContact CD2-CD2 3.75Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; L88-A119 HydrophobicContact CB-CB 4.45Å; L88-V120 PolarHBondContact N-O 2.89Å; L88-L121 HydrophobicContact CB-CD1 4.36Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4.04Å; L88-L121 CarbonylContact O-C 3.58Å; L88-L121 WeakPolarHBondContact O-CA 2.98Å; L88-L122 PolarHBondContact O-N 3.17Å
89	I	95.2	Very high	92.3	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.4	169.7	-57.9	177.9	0	0	0	107.4	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.72Å; I20-I89 HydrophobicContact CG2-CG1 3.73Å; L21-I89 PolarHBondContact O-N 2.66Å; M22-I89 CarbonylContact C-O 3.53Å; M22-I89 VanDerWaalsContact CA-O 3.26Å; M22-I89 WeakPolarHBondContact CA-O 3.47Å; M22-I89 HydrophobicContact CB-CB 4Å; M22-I89 HydrophobicContact CB-CG2 4.47Å; M22-I89 HydrophobicContact CG-CB 4.03Å; M22-I89 HydrophobicContact CG-CG2 3.96Å; M22-I89 HydrophobicContact SD-CG2 4.1Å; V23-I89 PolarHBondContact N-O 3.02Å; I89-V91 HydrophobicContact CG2-CG2 4.15Å; I89-L122 CarbonylContact C-O 3.56Å; I89-L122 VanDerWaalsContact CA-O 3.28Å; I89-L122 WeakPolarHBondContact CA-O 3.25Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.31Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; I89-F124 HydrophobicContact CD1-CE2 4.35Å; I89-F124 HydrophobicContact CG2-CD2 3.35Å; I89-F124 HydrophobicContact CG2-CE2 3.63Å; I89-F124 HydrophobicContact CG2-CG 4.26Å; I89-L170 HydrophobicContact CD1-CD2 3.89Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.67Å
90	F	96.3	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.2	175	-162.6	-93.8	0	0	0	109.7	V23 V92 A103 L107 M110 L121 L122 I123 F124	V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.45Å; V23-F90 CarbonylContact O-C 3.53Å; V23-F90 WeakPolarHBondContact O-CA 3.26Å; F90-V92 HydrophobicContact CD1-CG2 3.7Å; F90-V92 HydrophobicContact CE1-CG2 3.83Å; F90-A103 HydrophobicContact CE1-CB 4.19Å; F90-A103 HydrophobicContact CZ-CB 4.46Å; F90-A103 VanDerWaalsContact CZ-O 3.29Å; F90-A103 WeakPolarHBondContact CZ-O 3.24Å; F90-L107 HydrophobicContact CB-CD1 4.12Å; F90-L107 HydrophobicContact CD1-CB 4.4Å; F90-L107 HydrophobicContact CD1-CD1 4.35Å; F90-L107 HydrophobicContact CD1-CD2 4.45Å; F90-L107 HydrophobicContact CD2-CB 4.32Å; F90-L107 HydrophobicContact CD2-CD1 3.8Å; F90-L107 HydrophobicContact CE1-CB 4.05Å; F90-L107 HydrophobicContact CE2-CB 3.98Å; F90-L107 HydrophobicContact CE2-CD1 4.29Å; F90-L107 HydrophobicContact CG-CD1 3.83Å; F90-L107 HydrophobicContact CZ-CB 3.83Å; F90-M110 HydrophobicContact CD2-SD 4.48Å; F90-M110 HydrophobicContact CE2-SD 4.29Å; F90-L121 HydrophobicContact CB-CD1 4.13Å; F90-L122 PolarHBondContact N-O 3.39Å; F90-I123 CarbonylContact O-C 3.56Å; F90-I123 WeakPolarHBondContact O-CA 3.44Å; F90-F124 PolarHBondContact O-N 3.45Å
91	V	96.5	Very high	93.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.4	-176.6	-169.6	0	0	0	0	109.6	M22 V23 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.76Å; M22-V91 HydrophobicContact SD-CG2 3.81Å; V23-V91 PolarHBondContact O-N 3.3Å; A28-V91 HydrophobicContact CB-CB 4.3Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.18Å; A28-V91 WeakPolarHBondContact O-CG1 3.44Å; K30-V91 HydrophobicContact CG-CB 3.95Å; K30-V91 HydrophobicContact CG-CG2 3.87Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 3.98Å; I89-V91 HydrophobicContact CG2-CG2 4.15Å; V91-F124 HydrophobicContact CG1-CB 4.36Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.38Å; V91-N126 HydrophobicContact CG1-CB 3.9Å
92	V	98.1	Very high	94.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.6	179.6	-178.6	0	0	0	0	109.3	F90 S94 I123 F124 N126 I139 L143	F90-V92 HydrophobicContact CD1-CG2 3.7Å; F90-V92 HydrophobicContact CE1-CG2 3.83Å; V92-S94 PolarHBondContact O-N 3.31Å; V92-I123 HydrophobicContact CG2-CG2 4.21Å; V92-F124 PolarHBondContact N-O 3.33Å; V92-N126 WeakPolarHBondContact O-CB 3.2Å; V92-N126 PolarHBondContact O-N 3.21Å; V92-I139 HydrophobicContact CG1-CD1 4.44Å; V92-I139 HydrophobicContact CG1-CG2 4.45Å; V92-L143 HydrophobicContact CG2-CD1 4.05Å
93	D	97.8	Very high	94.8	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.112	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	108.5	165.2	-173.1	-20.2	0	0	0	108.8	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.44Å; D93-N95 PolarHBondContact OD1-N 2.89Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 2.8Å; D93-D96 PolarHBondContact OD1-N 2.79Å; D93-K127 WeakPolarHBondContact OD1-CD 3.33Å; D93-K127 IonicContact OD1-NZ 2.71Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.28Å; D93-K127 IonicContact OD2-NZ 3.12Å; D93-K127 PolarHBondContact OD2-NZ 2.91Å
94	S	98.6	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.8	-178	-53	0	0	0	0	112.5	V92 A125 N126 Q128 A133 M134 I139	V92-S94 PolarHBondContact O-N 3.31Å; S94-A125 PolarHBondContact OG-O 2.9Å; S94-N126 WeakPolarHBondContact CB-O 3.49Å; S94-N126 PolarHBondContact N-O 3.13Å; S94-N126 PolarHBondContact OG-N 3.34Å; S94-N126 PolarHBondContact OG-O 3.49Å; S94-Q128 PolarHBondContact OG-NE2 3.31Å; S94-A133 CarbonylContact O-C 3.5Å; S94-A133 WeakPolarHBondContact O-CA 3.43Å; S94-M134 WeakPolarHBondContact CB-O 3.43Å; S94-M134 WeakPolarHBondContact O-CB 3.46Å; S94-M134 WeakPolarHBondContact O-CE 3.3Å; S94-M134 WeakPolarHBondContact O-CG 3.28Å; S94-M134 PolarHBondContact O-N 3.15Å; S94-I139 WeakPolarHBondContact OG-CD1 3.12Å
95	N	98.1	Very high	95.9	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-13.2	-179.7	-164	73.1	0	0	0	112.2	D93 R97 L130 N132 A133	D93-N95 PolarHBondContact O-N 3.44Å; D93-N95 PolarHBondContact OD1-N 2.89Å; N95-R97 PolarHBondContact O-N 2.9Å; N95-R97 VanDerWaalsContact O-N 3.17Å; N95-L130 HydrophobicContact CB-CB 4.01Å; N95-L130 HydrophobicContact CB-CD1 3.55Å; N95-L130 HydrophobicContact CB-CG 4.42Å; N95-N132 WeakPolarHBondContact OD1-CB 3.32Å; N95-A133 PolarHBondContact OD1-N 2.84Å
96	D	97.6	Very high	96.2	Very high	30 Å²	30	42.8 Å²	42.8	16%	0.16	20%	0.196	C	C	.	.			trans	-87.5	78.2	177	-161.8	-30.9	0	0	0	111.8	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 2.8Å; D93-D96 PolarHBondContact OD1-N 2.79Å; D96-E98 PolarHBondContact O-N 2.75Å; D96-E98 PolarHBondContact OD1-N 2.94Å; D96-R99 WeakPolarHBondContact OD1-CB 3.47Å; D96-R99 PolarHBondContact OD1-N 2.76Å; D96-R99 IonicContact OD1-NE 2.69Å; D96-R99 IonicContact OD2-CZ 3.01Å; D96-R99 IonicContact OD2-NE 3.75Å; D96-R99 PolarHBondContact OD2-NE 3.24Å; D96-R99 IonicContact OD2-NH2 2.78Å; D96-R99 PolarHBondContact OD2-NH2 3.04Å; D96-V100 PolarHBondContact O-N 3.1Å
97	R	97.6	Very high	96.5	Very high	103 Å²	103	40 Å²	40	39%	0.389	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.8	-179.2	-68.9	174.8	167.9	-84.1	-9.5	113.1	N95 V100 N132 M134 E138	N95-R97 PolarHBondContact O-N 2.9Å; N95-R97 VanDerWaalsContact O-N 3.17Å; R97-V100 WeakPolarHBondContact O-CG1 3.39Å; R97-N132 PolarHBondContact NE-O 2.86Å; R97-N132 PolarHBondContact NH2-O 2.76Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 3.84Å; R97-M134 HydrophobicContact CG-SD 3.93Å; R97-E138 IonicContact CZ-OE1 3.22Å; R97-E138 IonicContact CZ-OE2 2.74Å; R97-E138 IonicContact NH1-OE1 3.02Å; R97-E138 PolarHBondContact NH1-OE1 2.91Å; R97-E138 IonicContact NH1-OE2 3.14Å; R97-E138 PolarHBondContact NH1-OE2 3.18Å; R97-E138 IonicContact NH2-OE1 3.18Å; R97-E138 IonicContact NH2-OE2 2.67Å; R97-E138 PolarHBondContact NH2-OE2 3.49Å
98	E	97.1	Very high	96.7	Very high	179 Å²	179	42.5 Å²	42.5	84%	0.836	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-42.8	-177.6	-64.4	-177	177.8	0	0	111.3	D96	D96-E98 PolarHBondContact O-N 2.75Å; D96-E98 PolarHBondContact OD1-N 2.94Å
99	R	96.3	Very high	96.7	Very high	64 Å²	64	49 Å²	49	24%	0.242	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.9	-176.3	-61.8	-170.3	-66.9	160.2	2.3	114.8	L25 D26 D96 N101 E102 A103	L25-R99 HydrophobicContact CD1-CB 3.84Å; D26-R99 VanDerWaalsContact CG-NH1 3.35Å; D26-R99 IonicContact OD1-NH1 3.44Å; D26-R99 PolarHBondContact OD1-NH1 2.99Å; D26-R99 IonicContact OD2-CZ 3.61Å; D26-R99 IonicContact OD2-NH1 2.94Å; D26-R99 PolarHBondContact OD2-NH1 3.05Å; D26-R99 IonicContact OD2-NH2 3.62Å; D96-R99 WeakPolarHBondContact OD1-CB 3.47Å; D96-R99 PolarHBondContact OD1-N 2.76Å; D96-R99 IonicContact OD1-NE 2.69Å; D96-R99 IonicContact OD2-CZ 3.01Å; D96-R99 IonicContact OD2-NE 3.75Å; D96-R99 PolarHBondContact OD2-NE 3.24Å; D96-R99 IonicContact OD2-NH2 2.78Å; D96-R99 PolarHBondContact OD2-NH2 3.04Å; R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 2.64Å; R99-E102 WeakPolarHBondContact O-CB 3.25Å; R99-E102 PolarHBondContact O-N 3.32Å; R99-E102 VanDerWaalsContact O-N 3.11Å; R99-A103 PolarHBondContact O-N 3.44Å
100	V	97.4	Very high	96.5	Very high	2 Å²	2	49 Å²	49	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-32.4	178	69.7	0	0	0	0	113.5	D96 R97 A103 R104 M134 K142	D96-V100 PolarHBondContact O-N 3.1Å; R97-V100 WeakPolarHBondContact O-CG1 3.39Å; V100-A103 PolarHBondContact O-N 3.38Å; V100-R104 PolarHBondContact O-N 2.62Å; V100-M134 HydrophobicContact CB-CE 3.95Å; V100-M134 HydrophobicContact CB-SD 4.31Å; V100-M134 HydrophobicContact CG1-SD 4.37Å; V100-M134 HydrophobicContact CG2-CE 3.91Å; V100-M134 HydrophobicContact CG2-SD 4.14Å; V100-K142 HydrophobicContact CB-CD 4.45Å; V100-K142 HydrophobicContact CG1-CB 4.48Å; V100-K142 HydrophobicContact CG1-CD 3.77Å; V100-K142 HydrophobicContact CG1-CG 4.5Å; V100-K142 HydrophobicContact CG2-CB 3.85Å; V100-K142 HydrophobicContact CG2-CD 3.97Å
101	N	96.8	Very high	96.5	Very high	89 Å²	89	50 Å²	50	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-70.9	-37.7	175.4	-68.6	-33.5	0	0	0	111.4	R99 A103 R104 E105	R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 2.64Å; N101-A103 VanDerWaalsContact C-N 3.34Å; N101-R104 WeakPolarHBondContact O-CB 3.09Å; N101-R104 PolarHBondContact O-N 3.26Å; N101-E105 PolarHBondContact O-N 3.3Å
102	E	95.9	Very high	96.4	Very high	50 Å²	50	53.6 Å²	53.6	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-43.1	172.3	-175.5	-173.1	176.6	0	0	110.7	L25 R75 R99 R104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.22Å; L25-E102 HydrophobicContact CD1-CG 4.2Å; L25-E102 HydrophobicContact CD2-CG 4.49Å; R75-E102 IonicContact CZ-OE1 3.95Å; R75-E102 IonicContact NH1-OE1 3.87Å; R75-E102 PolarHBondContact NH1-OE1 3.37Å; R75-E102 IonicContact NH2-OE1 3.21Å; R75-E102 PolarHBondContact NH2-OE1 3.36Å; R99-E102 WeakPolarHBondContact O-CB 3.25Å; R99-E102 PolarHBondContact O-N 3.32Å; R99-E102 VanDerWaalsContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 2.97Å; E102-E105 VanDerWaalsContact O-N 3.14Å; E102-E106 PolarHBondContact O-N 2.81Å
103	A	96.3	Very high	96.2	Very high	3 Å²	3	57.2 Å²	57.2	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-39.4	174.9	0	0	0	0	0	111.9	L25 F90 R99 V100 N101 L107 L143	L25-A103 HydrophobicContact CD1-CB 3.88Å; L25-A103 HydrophobicContact CG-CB 3.95Å; F90-A103 HydrophobicContact CE1-CB 4.19Å; F90-A103 HydrophobicContact CZ-CB 4.46Å; F90-A103 VanDerWaalsContact CZ-O 3.29Å; F90-A103 WeakPolarHBondContact CZ-O 3.24Å; R99-A103 PolarHBondContact O-N 3.44Å; V100-A103 PolarHBondContact O-N 3.38Å; N101-A103 VanDerWaalsContact C-N 3.34Å; A103-L107 WeakPolarHBondContact O-CB 3.49Å; A103-L107 PolarHBondContact O-N 3.47Å; A103-L143 HydrophobicContact CB-CD2 4.45Å
104	R	97.8	Very high	96	Very high	109 Å²	109	61.3 Å²	61.3	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-49.4	172.1	176.4	-162.8	-179.9	153.5	-9	111.3	V100 N101 E102 E106 L107 M108 K142 L143	V100-R104 PolarHBondContact O-N 2.62Å; N101-R104 WeakPolarHBondContact O-CB 3.09Å; N101-R104 PolarHBondContact O-N 3.26Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.26Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.82Å; R104-L107 PolarHBondContact O-N 2.93Å; R104-M108 HydrophobicContact CG-CG 4.25Å; R104-M108 WeakPolarHBondContact O-CB 3.23Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.37Å; R104-M108 PolarHBondContact O-N 3.16Å; R104-K142 VanDerWaalsContact CD-O 3.31Å; R104-K142 WeakPolarHBondContact CD-O 3.39Å; R104-L143 HydrophobicContact CB-CD2 3.99Å
105	E	96.3	Very high	95.8	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-46.4	-179.2	-74	-176.3	-158.3	0	0	111.5	N101 E102 M108 R109	N101-E105 PolarHBondContact O-N 3.3Å; E102-E105 PolarHBondContact O-N 2.97Å; E102-E105 VanDerWaalsContact O-N 3.14Å; E105-M108 PolarHBondContact O-N 2.85Å; E105-R109 WeakPolarHBondContact O-CB 3.13Å; E105-R109 VanDerWaalsContact O-CG 3.25Å; E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 3.06Å; E105-R109 IonicContact OE2-NH2 3.66Å; E105-R109 PolarHBondContact OE2-NH2 2.7Å; E105-R109 VanDerWaalsContact OE2-NH2 3.13Å
106	E	94.1	Very high	95.6	Very high	21 Å²	21	62.9 Å²	62.9	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-43.6	177.7	-66.6	-58.1	160.4	0	0	111.9	L25 R75 W78 E102 R104 M108 R109 M110	L25-E106 HydrophobicContact CD2-CG 4.13Å; R75-E106 VanDerWaalsContact CD-CD 3.48Å; R75-E106 WeakPolarHBondContact CD-OE1 3.47Å; R75-E106 IonicContact CZ-OE1 2.91Å; R75-E106 IonicContact NH1-OE1 3.54Å; R75-E106 PolarHBondContact NH1-OE1 3.14Å; W78-E106 HydrophobicContact CZ3-CB 4.22Å; E102-E106 PolarHBondContact O-N 2.81Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.82Å; E106-M108 PolarHBondContact O-N 2.83Å; E106-R109 PolarHBondContact O-N 3.18Å; E106-R109 IonicContact OE1-NH1 2.66Å; E106-R109 PolarHBondContact OE1-NH1 2.94Å; E106-M110 VanDerWaalsContact O-CG 3.29Å; E106-M110 WeakPolarHBondContact O-CG 3.36Å; E106-M110 PolarHBondContact O-N 2.96Å
107	L	96	Very high	95.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.5	-51.4	173.8	176.8	61.6	0	0	0	110.5	F90 A103 R104 R109 M110 L111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.12Å; F90-L107 HydrophobicContact CD1-CB 4.4Å; F90-L107 HydrophobicContact CD1-CD1 4.35Å; F90-L107 HydrophobicContact CD1-CD2 4.45Å; F90-L107 HydrophobicContact CD2-CB 4.32Å; F90-L107 HydrophobicContact CD2-CD1 3.8Å; F90-L107 HydrophobicContact CE1-CB 4.05Å; F90-L107 HydrophobicContact CE2-CB 3.98Å; F90-L107 HydrophobicContact CE2-CD1 4.29Å; F90-L107 HydrophobicContact CG-CD1 3.83Å; F90-L107 HydrophobicContact CZ-CB 3.83Å; A103-L107 WeakPolarHBondContact O-CB 3.49Å; A103-L107 PolarHBondContact O-N 3.47Å; R104-L107 PolarHBondContact O-N 2.93Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.44Å; L107-M110 WeakPolarHBondContact O-CB 3.35Å; L107-M110 PolarHBondContact O-N 3.43Å; L107-M110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 3.85Å; L107-L111 HydrophobicContact CD1-CD2 4.06Å; L107-L111 HydrophobicContact CD1-CG 3.86Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.38Å; L107-L121 HydrophobicContact CD1-CD1 4.05Å; L107-L121 HydrophobicContact CD1-CD2 4.29Å; L107-L143 HydrophobicContact CD2-CB 4.45Å; L107-L143 HydrophobicContact CD2-CD1 4.2Å; L107-L145 HydrophobicContact CD2-CD2 3.91Å
108	M	96.4	Very high	95.2	Very high	53 Å²	53	69.1 Å²	69.1	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-38.5	-177.7	-68.3	-64	170.4	0	0	112.5	R104 E105 E106 L111 A112 L143 L148	R104-M108 HydrophobicContact CG-CG 4.25Å; R104-M108 WeakPolarHBondContact O-CB 3.23Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.37Å; R104-M108 PolarHBondContact O-N 3.16Å; E105-M108 PolarHBondContact O-N 2.85Å; E106-M108 PolarHBondContact O-N 2.83Å; M108-L111 PolarHBondContact O-N 3.38Å; M108-A112 PolarHBondContact O-N 3.41Å; M108-L143 WeakPolarHBondContact CE-O 3.26Å; M108-L148 HydrophobicContact CE-CD2 4.3Å; M108-L148 HydrophobicContact SD-CD2 4.24Å
109	R	93.9	Very high	95	Very high	137 Å²	137	60.7 Å²	60.7	52%	0.517	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-46.6	172.9	-73.9	173.7	-165	175	7	111	E105 E106 L107 A112	E105-R109 WeakPolarHBondContact O-CB 3.13Å; E105-R109 VanDerWaalsContact O-CG 3.25Å; E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 3.06Å; E105-R109 IonicContact OE2-NH2 3.66Å; E105-R109 PolarHBondContact OE2-NH2 2.7Å; E105-R109 VanDerWaalsContact OE2-NH2 3.13Å; E106-R109 PolarHBondContact O-N 3.18Å; E106-R109 IonicContact OE1-NH1 2.66Å; E106-R109 PolarHBondContact OE1-NH1 2.94Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.44Å; R109-A112 WeakPolarHBondContact O-CB 3.15Å; R109-A112 PolarHBondContact O-N 2.88Å
110	M	92.5	Very high	95	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-44	177.3	-69	-176.2	66.3	0	0	112.8	L21 V23 W78 F82 L88 F90 E106 L107 A112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.1Å; V23-M110 HydrophobicContact CB-CE 4.4Å; V23-M110 HydrophobicContact CB-SD 4.42Å; V23-M110 HydrophobicContact CG1-CE 4.42Å; V23-M110 HydrophobicContact CG2-CE 3.56Å; V23-M110 HydrophobicContact CG2-SD 3.75Å; W78-M110 HydrophobicContact CD2-SD 4.43Å; W78-M110 HydrophobicContact CE3-CE 4.25Å; W78-M110 HydrophobicContact CE3-CG 3.97Å; W78-M110 HydrophobicContact CE3-SD 3.31Å; W78-M110 HydrophobicContact CZ3-CG 4.29Å; W78-M110 HydrophobicContact CZ3-SD 3.46Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.32Å; F82-M110 HydrophobicContact CD1-CE 4.44Å; F82-M110 HydrophobicContact CE1-CE 3.5Å; F82-M110 HydrophobicContact CZ-CE 3.86Å; F82-M110 HydrophobicContact CZ-CG 4.08Å; L88-M110 HydrophobicContact CD1-CE 3.77Å; L88-M110 HydrophobicContact CD2-CE 4.25Å; F90-M110 HydrophobicContact CD2-SD 4.48Å; F90-M110 HydrophobicContact CE2-SD 4.29Å; E106-M110 VanDerWaalsContact O-CG 3.29Å; E106-M110 WeakPolarHBondContact O-CG 3.36Å; E106-M110 PolarHBondContact O-N 2.96Å; L107-M110 WeakPolarHBondContact O-CB 3.35Å; L107-M110 PolarHBondContact O-N 3.43Å; L107-M110 VanDerWaalsContact O-N 3.16Å; M110-A112 PolarHBondContact O-N 3.35Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 3.33Å; M110-E113 VanDerWaalsContact O-N 3.11Å; M110-L116 HydrophobicContact CB-CD1 4.12Å; M110-L116 HydrophobicContact CE-CD1 3.88Å; M110-L116 WeakPolarHBondContact O-CD1 3.44Å
111	L	94.7	Very high	95	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-13.9	-177.8	-60.1	-180	0	0	0	113.1	L88 L107 M108 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.75Å; L107-L111 HydrophobicContact CD1-CD1 3.85Å; L107-L111 HydrophobicContact CD1-CD2 4.06Å; L107-L111 HydrophobicContact CD1-CG 3.86Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.38Å; M108-L111 PolarHBondContact O-N 3.38Å; L111-L121 HydrophobicContact CD1-CD2 3.94Å; L111-L121 HydrophobicContact CD2-CD2 4.18Å; L111-L148 HydrophobicContact CD1-CD1 3.66Å; L111-L148 HydrophobicContact CD1-CD2 3.76Å; L111-L148 HydrophobicContact CD1-CG 4.39Å; L111-R151 VanDerWaalsContact CD2-NH1 3.34Å; L111-R151 PolarHBondContact O-NH2 2.97Å
112	A	94.7	Very high	95.1	Very high	77 Å²	77	53.5 Å²	53.5	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.7	173.6	0	0	0	0	0	113.5	M108 R109 M110	M108-A112 PolarHBondContact O-N 3.41Å; R109-A112 WeakPolarHBondContact O-CB 3.15Å; R109-A112 PolarHBondContact O-N 2.88Å; M110-A112 PolarHBondContact O-N 3.35Å
113	E	94.8	Very high	95.2	Very high	79 Å²	79	51.1 Å²	51.1	37%	0.369	25%	0.245	S	C	.	.	S	Bend	trans	-76.9	132.6	179.3	-60.9	-78.8	175.9	0	0	110.5	F82 M110 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.92Å; F82-E113 HydrophobicContact CD2-CG 3.93Å; F82-E113 HydrophobicContact CE2-CB 4.17Å; F82-E113 HydrophobicContact CE2-CG 3.68Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 3.33Å; M110-E113 VanDerWaalsContact O-N 3.11Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.47Å; E113-L116 PolarHBondContact O-N 2.87Å; E113-R117 PolarHBondContact O-N 3.41Å
114	D	93.9	Very high	95.3	Very high	108 Å²	108	51 Å²	51	58%	0.578	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62.9	-35.1	-173.3	-82	-19.4	0	0	0	112.2	L116 R117	D114-L116 PolarHBondContact O-N 2.79Å; D114-R117 VanDerWaalsContact CG-NH2 3.28Å; D114-R117 WeakPolarHBondContact O-CB 3.42Å; D114-R117 PolarHBondContact O-N 3.34Å; D114-R117 VanDerWaalsContact O-N 3.1Å; D114-R117 IonicContact OD1-CZ 2.64Å; D114-R117 IonicContact OD1-NE 2.79Å; D114-R117 IonicContact OD1-NH2 3.68Å; D114-R117 PolarHBondContact OD1-NH2 2.76Å; D114-R117 IonicContact OD2-NH2 2.72Å
115	E	94.4	Very high	95.4	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.7	176.8	-63.8	93.1	149.2	0	0	113	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.7Å; F82-E115 HydrophobicContact CB-CG 4.47Å; Q83-E115 HydrophobicContact CG-CG 4.08Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.47Å
116	L	94.1	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-100.6	1.8	177.9	-66	-177.4	0	0	0	112.9	F82 T85 L88 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4Å; 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 4.05Å; F82-L116 HydrophobicContact CD2-CD1 4.05Å; F82-L116 HydrophobicContact CD2-CG 4.23Å; F82-L116 HydrophobicContact CE1-CD1 3.85Å; F82-L116 HydrophobicContact CE2-CD1 4.25Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.17Å; F82-L116 HydrophobicContact CG-CG 3.79Å; F82-L116 HydrophobicContact CZ-CD1 4.14Å; T85-L116 HydrophobicContact CG2-CD2 3.87Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; M110-L116 HydrophobicContact CB-CD1 4.12Å; M110-L116 HydrophobicContact CE-CD1 3.88Å; M110-L116 WeakPolarHBondContact O-CD1 3.44Å; E113-L116 PolarHBondContact O-N 2.87Å; D114-L116 PolarHBondContact O-N 2.79Å; L116-D118 PolarHBondContact O-N 3.32Å; L116-A119 HydrophobicContact CB-CB 4.48Å; L116-A119 HydrophobicContact CD2-CB 4.2Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 3.16Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.45Å; L116-R151 PolarHBondContact O-NH2 3.42Å
117	R	93.3	Very high	95.7	Very high	146 Å²	146	42.3 Å²	42.3	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-45.7	-175.6	-176.7	-177.4	-64.3	177.8	-0.6	112.5	E113 D114	E113-R117 PolarHBondContact O-N 3.41Å; D114-R117 VanDerWaalsContact CG-NH2 3.28Å; D114-R117 WeakPolarHBondContact O-CB 3.42Å; D114-R117 PolarHBondContact O-N 3.34Å; D114-R117 VanDerWaalsContact O-N 3.1Å; D114-R117 IonicContact OD1-CZ 2.64Å; D114-R117 IonicContact OD1-NE 2.79Å; D114-R117 IonicContact OD1-NH2 3.68Å; D114-R117 PolarHBondContact OD1-NH2 2.76Å; D114-R117 IonicContact OD2-NH2 2.72Å
118	D	92.1	Very high	95.8	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7	-176.6	-61.3	-41	0	0	0	112.9	L116 V120 K180	L116-D118 PolarHBondContact O-N 3.32Å; D118-V120 PolarHBondContact O-N 3.36Å; D118-K180 WeakPolarHBondContact O-CE 3.11Å; D118-K180 PolarHBondContact O-NZ 3.2Å
119	A	94.1	Very high	95.9	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-63	130.3	-175.3	0	0	0	0	0	111.9	Q86 L88 L116 R151	Q86-A119 WeakPolarHBondContact O-CA 3.36Å; L88-A119 HydrophobicContact CB-CB 4.45Å; L116-A119 HydrophobicContact CB-CB 4.48Å; L116-A119 HydrophobicContact CD2-CB 4.2Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 3.16Å; A119-R151 PolarHBondContact O-NH1 2.98Å; A119-R151 VanDerWaalsContact O-NH1 3.09Å
120	V	95.9	Very high	96	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.3	173.7	-179.3	0	0	0	0	108.7	Q86 G87 L88 D118 N152 W172 L173 Q176 L177 K180	Q86-V120 PolarHBondContact O-N 3.4Å; G87-V120 CarbonylContact C-O 3.57Å; G87-V120 WeakPolarHBondContact CA-O 3.31Å; L88-V120 PolarHBondContact N-O 2.89Å; D118-V120 PolarHBondContact O-N 3.36Å; V120-N152 HydrophobicContact CG1-CB 4.34Å; V120-W172 HydrophobicContact CG1-CH2 3.5Å; V120-W172 HydrophobicContact CG1-CZ2 4.49Å; V120-W172 HydrophobicContact CG1-CZ3 3.68Å; V120-L173 HydrophobicContact CB-CD1 3.92Å; V120-L173 HydrophobicContact CG1-CD1 3.62Å; V120-Q176 HydrophobicContact CG1-CB 3.79Å; V120-Q176 HydrophobicContact CG1-CG 4.11Å; V120-Q176 HydrophobicContact CG2-CB 4.21Å; V120-L177 HydrophobicContact CB-CD2 4.2Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å; V120-K180 HydrophobicContact CG2-CD 4.37Å
121	L	97.8	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.1	-174.9	173.8	63.3	0	0	0	111.5	L88 F90 L107 L111 I123 L148 R151 N152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.36Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4.04Å; L88-L121 CarbonylContact O-C 3.58Å; L88-L121 WeakPolarHBondContact O-CA 2.98Å; F90-L121 HydrophobicContact CB-CD1 4.13Å; L107-L121 HydrophobicContact CD1-CD1 4.05Å; L107-L121 HydrophobicContact CD1-CD2 4.29Å; L111-L121 HydrophobicContact CD1-CD2 3.94Å; L111-L121 HydrophobicContact CD2-CD2 4.18Å; L121-I123 HydrophobicContact CD1-CD1 4.29Å; L121-I123 HydrophobicContact CD1-CG1 4.44Å; L121-I123 HydrophobicContact CD2-CD1 3.86Å; L121-I123 HydrophobicContact CG-CD1 3.66Å; L121-I123 HydrophobicContact CG-CG1 4.31Å; L121-L148 HydrophobicContact CD2-CD1 3.77Å; L121-R151 HydrophobicContact CB-CG 4.44Å; L121-N152 PolarHBondContact N-O 2.9Å; L121-W153 HydrophobicContact CB-CB 3.94Å; L121-W153 HydrophobicContact CD2-CB 4.08Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.56Å; L121-W153 WeakPolarHBondContact O-CA 3.49Å; L121-Y154 PolarHBondContact O-N 2.94Å; L121-W172 WeakPolarHBondContact O-CH2 3.47Å; L121-W172 WeakPolarHBondContact O-CZ3 3.46Å
122	L	97.9	Very high	96.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.4	167	175	64.1	0	0	0	108.7	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.17Å; I89-L122 CarbonylContact C-O 3.56Å; I89-L122 VanDerWaalsContact CA-O 3.28Å; I89-L122 WeakPolarHBondContact CA-O 3.25Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.31Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; F90-L122 PolarHBondContact N-O 3.39Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.82Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CD1 4.48Å; L122-F124 HydrophobicContact CG-CE1 4.34Å; L122-Y154 CarbonylContact C-O 3.53Å; L122-Y154 WeakPolarHBondContact CA-O 3.26Å; L122-Y154 HydrophobicContact CD1-CD1 3.74Å; L122-Q156 HydrophobicContact CD1-CB 4.35Å; L122-G169 WeakPolarHBondContact CD2-O 3.25Å; L122-W172 HydrophobicContact CB-CZ3 4.18Å; L122-W172 HydrophobicContact CD1-CE3 4.11Å; L122-W172 HydrophobicContact CD1-CZ3 4.41Å; L122-L173 HydrophobicContact CB-CD1 4.5Å; L122-L173 HydrophobicContact CB-CD2 4.03Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 3.94Å
123	I	98.7	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.3	172.8	-57.6	85.9	0	0	0	107.7	F90 V92 L121 L143 L145 W153 Y154 I155 Q156	F90-I123 CarbonylContact O-C 3.56Å; F90-I123 WeakPolarHBondContact O-CA 3.44Å; V92-I123 HydrophobicContact CG2-CG2 4.21Å; L121-I123 HydrophobicContact CD1-CD1 4.29Å; L121-I123 HydrophobicContact CD1-CG1 4.44Å; L121-I123 HydrophobicContact CD2-CD1 3.86Å; L121-I123 HydrophobicContact CG-CD1 3.66Å; L121-I123 HydrophobicContact CG-CG1 4.31Å; I123-L143 HydrophobicContact CG2-CD1 4.01Å; I123-L145 HydrophobicContact CD1-CD1 3.67Å; I123-L145 HydrophobicContact CD1-CD2 4.18Å; I123-L145 HydrophobicContact CG1-CD1 3.99Å; I123-L145 HydrophobicContact CG1-CD2 4.35Å; I123-W153 HydrophobicContact CD1-CB 4.38Å; I123-W153 HydrophobicContact CD1-CE3 4.36Å; I123-Y154 VanDerWaalsContact CD1-O 3.27Å; I123-Y154 WeakPolarHBondContact CD1-O 3.24Å; I123-Y154 PolarHBondContact N-O 2.97Å; I123-I155 HydrophobicContact CB-CB 4.09Å; I123-I155 HydrophobicContact CB-CD1 4.27Å; I123-I155 HydrophobicContact CB-CG1 3.94Å; I123-I155 HydrophobicContact CG2-CD1 3.9Å; I123-I155 HydrophobicContact CG2-CG1 3.97Å; I123-I155 WeakPolarHBondContact O-CA 3.22Å; I123-Q156 PolarHBondContact O-N 3.34Å
124	F	98.5	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.2	165.5	-76.7	-41.1	0	0	0	109.5	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166 L170	I33-F124 HydrophobicContact CD1-CB 4.49Å; I33-F124 HydrophobicContact CD1-CD2 3.91Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.4Å; I89-F124 HydrophobicContact CD1-CE2 4.35Å; I89-F124 HydrophobicContact CG2-CD2 3.35Å; I89-F124 HydrophobicContact CG2-CE2 3.63Å; I89-F124 HydrophobicContact CG2-CG 4.26Å; F90-F124 PolarHBondContact O-N 3.45Å; V91-F124 HydrophobicContact CG1-CB 4.36Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.38Å; V92-F124 PolarHBondContact N-O 3.33Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.82Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CD1 4.48Å; L122-F124 HydrophobicContact CG-CE1 4.34Å; F124-N126 VanDerWaalsContact C-N 3.29Å; F124-N126 PolarHBondContact O-N 3.1Å; F124-N126 VanDerWaalsContact O-N 3.1Å; F124-Q156 HydrophobicContact CD1-CB 4.03Å; F124-Q156 HydrophobicContact CD1-CG 4.37Å; F124-Q156 HydrophobicContact CE1-CB 4.17Å; F124-Q156 HydrophobicContact CE1-CG 4.22Å; F124-T158 HydrophobicContact CB-CG2 4.41Å; F124-T158 HydrophobicContact CD1-CG2 3.28Å; F124-T158 HydrophobicContact CE1-CG2 3.65Å; F124-T158 HydrophobicContact CG-CG2 4.05Å; F124-L166 HydrophobicContact CE1-CD2 4.43Å; F124-L166 HydrophobicContact CE2-CD2 4.33Å; F124-L166 HydrophobicContact CZ-CD2 4.22Å; F124-L170 HydrophobicContact CZ-CG 4.4Å
125	A	98.7	Very high	96.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	82.7	166.8	0	0	0	0	0	108.1	S94 Q128 I139 I155 Q156 T158	S94-A125 PolarHBondContact OG-O 2.9Å; A125-Q128 WeakPolarHBondContact O-CG 3.45Å; A125-I139 HydrophobicContact CB-CD1 3.44Å; A125-I139 VanDerWaalsContact CB-CD1 3.44Å; A125-I155 HydrophobicContact CB-CD1 4.24Å; A125-I155 HydrophobicContact CB-CG1 4.25Å; A125-Q156 PolarHBondContact N-O 3.29Å; A125-T158 PolarHBondContact O-N 3.11Å
126	N	98.5	Very high	96.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	162	-169.5	-171.8	35.6	0	0	0	112.3	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.5Å; V91-N126 HydrophobicContact CG1-CB 3.9Å; V92-N126 WeakPolarHBondContact O-CB 3.2Å; V92-N126 PolarHBondContact O-N 3.21Å; S94-N126 WeakPolarHBondContact CB-O 3.49Å; S94-N126 PolarHBondContact N-O 3.13Å; S94-N126 PolarHBondContact OG-N 3.34Å; S94-N126 PolarHBondContact OG-O 3.49Å; F124-N126 VanDerWaalsContact C-N 3.29Å; F124-N126 PolarHBondContact O-N 3.1Å; F124-N126 VanDerWaalsContact O-N 3.1Å; N126-T158 CarbonylContact C-O 3.49Å; N126-T158 WeakPolarHBondContact CA-O 3.15Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.13Å; N126-A160 WeakPolarHBondContact OD1-CB 3.4Å; N126-A160 PolarHBondContact OD1-N 2.86Å
127	K	98.3	Very high	97	Very high	46 Å²	46	45.7 Å²	45.7	20%	0.2	25%	0.251	C	S	.	.			trans	68.9	36.2	-177.5	-43.1	-165.9	-166.6	174	0	114.2	A27 D93 D129 L130 A133 T158	A27-K127 WeakPolarHBondContact O-CE 3.42Å; A27-K127 PolarHBondContact O-NZ 2.65Å; D93-K127 WeakPolarHBondContact OD1-CD 3.33Å; D93-K127 IonicContact OD1-NZ 2.71Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.28Å; D93-K127 IonicContact OD2-NZ 3.12Å; D93-K127 PolarHBondContact OD2-NZ 2.91Å; K127-D129 VanDerWaalsContact C-OD1 3.25Å; K127-D129 VanDerWaalsContact CA-OD1 3.26Å; K127-D129 WeakPolarHBondContact CA-OD1 3.32Å; K127-D129 PolarHBondContact O-N 3.22Å; K127-L130 HydrophobicContact CB-CD1 3.87Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.01Å; K127-L130 PolarHBondContact O-N 3.22Å; K127-A133 WeakPolarHBondContact O-CB 3.33Å; K127-T158 PolarHBondContact N-O 3.32Å; K127-T158 VanDerWaalsContact N-O 3.11Å
128	Q	98.6	Very high	97.3	Very high	61 Å²	61	41.3 Å²	41.3	29%	0.285	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.8	177.3	-66.8	-73.1	-53.4	0	0	113.5	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 3.31Å; A125-Q128 WeakPolarHBondContact O-CG 3.45Å; Q128-L130 PolarHBondContact O-N 2.88Å; Q128-M134 PolarHBondContact NE2-O 3.36Å; Q128-A157 HydrophobicContact CG-CB 3.99Å; Q128-T158 WeakPolarHBondContact CG-O 3.47Å; Q128-T158 PolarHBondContact N-O 2.64Å; Q128-T158 VanDerWaalsContact N-O 3.15Å
129	D	97.8	Very high	97.6	Very high	92 Å²	92	35.6 Å²	35.6	49%	0.492	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.9	172.1	58.3	-62.2	0	0	0	113.5	K127 C159	K127-D129 VanDerWaalsContact C-OD1 3.25Å; K127-D129 VanDerWaalsContact CA-OD1 3.26Å; K127-D129 WeakPolarHBondContact CA-OD1 3.32Å; K127-D129 PolarHBondContact O-N 3.22Å; D129-C159 PolarHBondContact OD1-SG 2.89Å; D129-C159 VanDerWaalsContact OD1-SG 3.36Å
130	L	97.5	Very high	97.8	Very high	59 Å²	59	36 Å²	36	31%	0.309	21%	0.209	S	C	.	.	S	Bend	trans	-86.1	142.2	-177.4	-61	-179.1	0	0	0	112.3	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 4.01Å; N95-L130 HydrophobicContact CB-CD1 3.55Å; N95-L130 HydrophobicContact CB-CG 4.42Å; K127-L130 HydrophobicContact CB-CD1 3.87Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.01Å; K127-L130 PolarHBondContact O-N 3.22Å; Q128-L130 PolarHBondContact O-N 2.88Å; L130-N132 VanDerWaalsContact C-N 3.25Å; L130-N132 PolarHBondContact O-N 3.1Å; L130-N132 VanDerWaalsContact O-N 3.1Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.3Å; L130-A133 PolarHBondContact O-N 3.25Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	93.6	Very high	97.9	Very high	123 Å²	123	40.7 Å²	40.7	80%	0.799	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.3	-168.4	24.6	-35.3	0	0	0	115.2
132	N	95.4	Very high	97.9	Very high	108 Å²	108	43.6 Å²	43.6	58%	0.578	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	14.4	-179.7	-63.7	-45.7	0	0	0	113	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CB 3.32Å; R97-N132 PolarHBondContact NE-O 2.86Å; R97-N132 PolarHBondContact NH2-O 2.76Å; L130-N132 VanDerWaalsContact C-N 3.25Å; L130-N132 PolarHBondContact O-N 3.1Å; L130-N132 VanDerWaalsContact O-N 3.1Å; N132-M134 PolarHBondContact O-N 3.11Å
133	A	98.2	Very high	97.9	Very high	22 Å²	22	43.6 Å²	43.6	18%	0.182	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.7	128.5	179.7	0	0	0	0	0	111.2	S94 N95 K127 L130 N135	S94-A133 CarbonylContact O-C 3.5Å; S94-A133 WeakPolarHBondContact O-CA 3.43Å; N95-A133 PolarHBondContact OD1-N 2.84Å; K127-A133 WeakPolarHBondContact O-CB 3.33Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.3Å; L130-A133 PolarHBondContact O-N 3.25Å; L130-A133 VanDerWaalsContact O-N 3.13Å; A133-N135 PolarHBondContact O-N 2.91Å
134	M	98.7	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62	127.2	167.1	-62.9	175.2	-76.4	0	0	108.4	S94 R97 V100 Q128 N132 E138 I139 K142	S94-M134 WeakPolarHBondContact CB-O 3.43Å; S94-M134 WeakPolarHBondContact O-CB 3.46Å; S94-M134 WeakPolarHBondContact O-CE 3.3Å; S94-M134 WeakPolarHBondContact O-CG 3.28Å; S94-M134 PolarHBondContact O-N 3.15Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 3.84Å; R97-M134 HydrophobicContact CG-SD 3.93Å; V100-M134 HydrophobicContact CB-CE 3.95Å; V100-M134 HydrophobicContact CB-SD 4.31Å; V100-M134 HydrophobicContact CG1-SD 4.37Å; V100-M134 HydrophobicContact CG2-CE 3.91Å; V100-M134 HydrophobicContact CG2-SD 4.14Å; Q128-M134 PolarHBondContact NE2-O 3.36Å; N132-M134 PolarHBondContact O-N 3.11Å; M134-E138 WeakPolarHBondContact CA-OE2 3.46Å; M134-E138 HydrophobicContact CB-CB 4.22Å; M134-E138 HydrophobicContact CB-CG 4.13Å; M134-E138 HydrophobicContact CG-CG 4.19Å; M134-I139 HydrophobicContact CB-CD1 4.08Å; M134-I139 HydrophobicContact CB-CG1 3.7Å; M134-I139 HydrophobicContact CE-CG1 4.48Å; M134-I139 WeakPolarHBondContact O-CD1 3.39Å; M134-K142 HydrophobicContact SD-CD 3.42Å; M134-K142 WeakPolarHBondContact SD-CD 3.38Å
135	N	98.3	Very high	97.8	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.9	170.7	175.6	67	42.1	0	0	0	111	A133 A137 E138 I139	A133-N135 PolarHBondContact O-N 2.91Å; N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.26Å; N135-A137 WeakPolarHBondContact OD1-CB 3.08Å; N135-A137 PolarHBondContact OD1-N 2.82Å; N135-E138 PolarHBondContact O-N 2.95Å; N135-E138 PolarHBondContact OD1-N 3.41Å; N135-I139 PolarHBondContact O-N 3.3Å
136	A	97.8	Very high	97.7	Very high	27 Å²	27	50.1 Å²	50.1	22%	0.223	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-35.2	-178.7	0	0	0	0	0	113.5	T140 I155	A136-T140 WeakPolarHBondContact O-CB 3.31Å; A136-T140 PolarHBondContact O-N 2.93Å; A136-T140 PolarHBondContact O-OG1 2.87Å; A136-I155 HydrophobicContact CB-CD1 4.31Å; A136-I155 HydrophobicContact CB-CG1 4.26Å; A136-I155 HydrophobicContact CB-CG2 4.38Å; A136-I155 WeakPolarHBondContact O-CD1 3.46Å
137	A	98.2	Very high	97.5	Very high	61 Å²	61	53.5 Å²	53.5	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-46.6	177.8	0	0	0	0	0	111.3	N135 I139 T140 D141	N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.26Å; N135-A137 WeakPolarHBondContact OD1-CB 3.08Å; N135-A137 PolarHBondContact OD1-N 2.82Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 3.25Å; A137-T140 VanDerWaalsContact O-CB 3.3Å; A137-T140 WeakPolarHBondContact O-CB 3.48Å; A137-T140 PolarHBondContact O-N 3.16Å; A137-T140 VanDerWaalsContact O-N 3.1Å; A137-D141 PolarHBondContact O-N 3.3Å
138	E	98.5	Very high	97.3	Very high	54 Å²	54	52.5 Å²	52.5	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-40.6	177.6	-174.7	177.9	-179.3	0	0	111.9	R97 M134 N135 D141 K142	R97-E138 IonicContact CZ-OE1 3.22Å; R97-E138 IonicContact CZ-OE2 2.74Å; R97-E138 IonicContact NH1-OE1 3.02Å; R97-E138 PolarHBondContact NH1-OE1 2.91Å; R97-E138 IonicContact NH1-OE2 3.14Å; R97-E138 PolarHBondContact NH1-OE2 3.18Å; R97-E138 IonicContact NH2-OE1 3.18Å; R97-E138 IonicContact NH2-OE2 2.67Å; R97-E138 PolarHBondContact NH2-OE2 3.49Å; M134-E138 WeakPolarHBondContact CA-OE2 3.46Å; M134-E138 HydrophobicContact CB-CB 4.22Å; M134-E138 HydrophobicContact CB-CG 4.13Å; M134-E138 HydrophobicContact CG-CG 4.19Å; N135-E138 PolarHBondContact O-N 2.95Å; N135-E138 PolarHBondContact OD1-N 3.41Å; E138-D141 PolarHBondContact O-N 3.49Å; E138-K142 HydrophobicContact CG-CD 4.03Å; E138-K142 WeakPolarHBondContact O-CB 3.46Å; E138-K142 WeakPolarHBondContact O-CG 3.26Å; E138-K142 PolarHBondContact O-N 3.48Å; E138-K142 WeakPolarHBondContact OE1-CE 3.41Å
139	I	98.6	Very high	96.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-38.6	175.5	-68.6	169.8	0	0	0	111.1	V92 S94 A125 M134 N135 A137 D141 K142 L143 I155	V92-I139 HydrophobicContact CG1-CD1 4.44Å; V92-I139 HydrophobicContact CG1-CG2 4.45Å; S94-I139 WeakPolarHBondContact OG-CD1 3.12Å; A125-I139 HydrophobicContact CB-CD1 3.44Å; A125-I139 VanDerWaalsContact CB-CD1 3.44Å; M134-I139 HydrophobicContact CB-CD1 4.08Å; M134-I139 HydrophobicContact CB-CG1 3.7Å; M134-I139 HydrophobicContact CE-CG1 4.48Å; M134-I139 WeakPolarHBondContact O-CD1 3.39Å; N135-I139 PolarHBondContact O-N 3.3Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 3.25Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.93Å; I139-K142 PolarHBondContact O-N 2.94Å; I139-L143 HydrophobicContact CG2-CD1 3.57Å; I139-L143 HydrophobicContact CG2-CG 3.91Å; I139-L143 WeakPolarHBondContact O-CB 3.35Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.23Å; I139-L143 PolarHBondContact O-N 3.16Å; I139-I155 HydrophobicContact CB-CD1 3.92Å; I139-I155 HydrophobicContact CG2-CD1 3.61Å
140	T	98.5	Very high	96.6	Very high	10 Å²	10	64.7 Å²	64.7	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-56.9	-45.7	176	-60.2	0	0	0	0	111	A136 A137 G144 L145 H146 W153	A136-T140 WeakPolarHBondContact O-CB 3.31Å; A136-T140 PolarHBondContact O-N 2.93Å; A136-T140 PolarHBondContact O-OG1 2.87Å; A137-T140 VanDerWaalsContact O-CB 3.3Å; A137-T140 WeakPolarHBondContact O-CB 3.48Å; A137-T140 PolarHBondContact O-N 3.16Å; A137-T140 VanDerWaalsContact O-N 3.1Å; T140-G144 PolarHBondContact O-N 2.75Å; T140-G144 VanDerWaalsContact O-N 3.11Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.44Å; T140-L145 PolarHBondContact O-N 3.46Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.46Å; T140-W153 HydrophobicContact CG2-CH2 3.91Å; T140-W153 HydrophobicContact CG2-CZ3 4.36Å
141	D	98.3	Very high	96.4	Very high	102 Å²	102	63.3 Å²	63.3	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-49.5	177.8	-71.4	-28.7	0	0	0	111.7	A137 E138 I139 L143 G144 H146	A137-D141 PolarHBondContact O-N 3.3Å; E138-D141 PolarHBondContact O-N 3.49Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.93Å; D141-L143 PolarHBondContact O-N 2.88Å; D141-G144 PolarHBondContact O-N 3.42Å; D141-H146 IonicContact OD1-CD2 3.85Å; D141-H146 IonicContact OD1-NE2 3.13Å
142	K	98.3	Very high	96.5	Very high	60 Å²	60	62 Å²	62	26%	0.261	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-40.1	-177.3	-76.6	174.7	172.6	-71.6	0	112.8	V100 R104 M134 E138 I139 G144	V100-K142 HydrophobicContact CB-CD 4.45Å; V100-K142 HydrophobicContact CG1-CB 4.48Å; V100-K142 HydrophobicContact CG1-CD 3.77Å; V100-K142 HydrophobicContact CG1-CG 4.5Å; V100-K142 HydrophobicContact CG2-CB 3.85Å; V100-K142 HydrophobicContact CG2-CD 3.97Å; R104-K142 VanDerWaalsContact CD-O 3.31Å; R104-K142 WeakPolarHBondContact CD-O 3.39Å; M134-K142 HydrophobicContact SD-CD 3.42Å; M134-K142 WeakPolarHBondContact SD-CD 3.38Å; E138-K142 HydrophobicContact CG-CD 4.03Å; E138-K142 WeakPolarHBondContact O-CB 3.46Å; E138-K142 WeakPolarHBondContact O-CG 3.26Å; E138-K142 PolarHBondContact O-N 3.48Å; E138-K142 WeakPolarHBondContact OE1-CE 3.41Å; I139-K142 PolarHBondContact O-N 2.94Å; K142-G144 PolarHBondContact O-N 2.92Å
143	L	98.3	Very high	96.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-76.1	-11.8	173.9	-62.7	-178.6	0	0	0	112.8	V92 A103 R104 L107 M108 I123 I139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.05Å; A103-L143 HydrophobicContact CB-CD2 4.45Å; R104-L143 HydrophobicContact CB-CD2 3.99Å; L107-L143 HydrophobicContact CD2-CB 4.45Å; L107-L143 HydrophobicContact CD2-CD1 4.2Å; M108-L143 WeakPolarHBondContact CE-O 3.26Å; I123-L143 HydrophobicContact CG2-CD1 4.01Å; I139-L143 HydrophobicContact CG2-CD1 3.57Å; I139-L143 HydrophobicContact CG2-CG 3.91Å; I139-L143 WeakPolarHBondContact O-CB 3.35Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.23Å; I139-L143 PolarHBondContact O-N 3.16Å; D141-L143 PolarHBondContact O-N 2.88Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD2 3.73Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.18Å; L143-L145 HydrophobicContact CD1-CG 4.48Å; L143-L145 PolarHBondContact O-N 2.65Å
144	G	97.6	Very high	96.7	Very high	12 Å²	12	63.3 Å²	63.3	12%	0.124	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	33.5	-179.1	0	0	0	0	0	113.5	T140 D141 K142 H146 S147	T140-G144 PolarHBondContact O-N 2.75Å; T140-G144 VanDerWaalsContact O-N 3.11Å; D141-G144 PolarHBondContact O-N 3.42Å; K142-G144 PolarHBondContact O-N 2.92Å; G144-H146 PolarHBondContact O-N 3.27Å; G144-S147 WeakPolarHBondContact O-CB 3.48Å; G144-S147 PolarHBondContact O-N 2.97Å; G144-S147 PolarHBondContact O-OG 2.93Å
145	L	97.4	Very high	96.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-62.5	-26.9	-174.5	-56.8	-176.7	0	0	0	112.8	L107 I123 T140 L143 S147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.91Å; I123-L145 HydrophobicContact CD1-CD1 3.67Å; I123-L145 HydrophobicContact CD1-CD2 4.18Å; I123-L145 HydrophobicContact CG1-CD1 3.99Å; I123-L145 HydrophobicContact CG1-CD2 4.35Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.44Å; T140-L145 PolarHBondContact O-N 3.46Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD2 3.73Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.18Å; L143-L145 HydrophobicContact CD1-CG 4.48Å; L143-L145 PolarHBondContact O-N 2.65Å; L145-S147 PolarHBondContact O-N 3.14Å; L145-S147 VanDerWaalsContact O-N 3.1Å; L145-L148 HydrophobicContact CD2-CD1 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.35Å; L145-L148 PolarHBondContact O-N 3.17Å; L145-W153 HydrophobicContact CB-CD2 4.23Å; L145-W153 HydrophobicContact CB-CE3 4.22Å; L145-W153 HydrophobicContact CB-CH2 3.99Å; L145-W153 HydrophobicContact CB-CZ2 3.98Å; L145-W153 HydrophobicContact CB-CZ3 4.11Å; L145-W153 HydrophobicContact CD1-CE3 3.92Å; L145-W153 HydrophobicContact CD1-CZ3 3.87Å; L145-W153 PolarHBondContact O-NE1 3.11Å; L145-I155 HydrophobicContact CD1-CB 4.49Å; L145-I155 HydrophobicContact CD1-CD1 4.38Å
146	H	95.8	Very high	96.7	Very high	126 Å²	126	61.4 Å²	61.4	58%	0.583	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-59	-20.9	174.1	-65.8	-55.1	0	0	0	114.1	T140 D141 G144 L148	T140-H146 WeakPolarHBondContact CG2-NE2 3.46Å; D141-H146 IonicContact OD1-CD2 3.85Å; D141-H146 IonicContact OD1-NE2 3.13Å; G144-H146 PolarHBondContact O-N 3.27Å; H146-L148 VanDerWaalsContact C-N 3.31Å
147	S	94.9	Very high	96.7	Very high	75 Å²	75	61.9 Å²	61.9	52%	0.524	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-76.7	-16.5	175.9	69.5	0	0	0	0	113.5	G144 L145 R149	G144-S147 WeakPolarHBondContact O-CB 3.48Å; G144-S147 PolarHBondContact O-N 2.97Å; G144-S147 PolarHBondContact O-OG 2.93Å; L145-S147 PolarHBondContact O-N 3.14Å; L145-S147 VanDerWaalsContact O-N 3.1Å; S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3.27Å
148	L	94.3	Very high	96.7	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.131	28%	0.284	C	S	.	.			trans	-81.4	66.9	-175.5	-56.6	179.5	0	0	0	112.1	M108 L111 L121 L145 H146 H150 R151	M108-L148 HydrophobicContact CE-CD2 4.3Å; M108-L148 HydrophobicContact SD-CD2 4.24Å; L111-L148 HydrophobicContact CD1-CD1 3.66Å; L111-L148 HydrophobicContact CD1-CD2 3.76Å; L111-L148 HydrophobicContact CD1-CG 4.39Å; L121-L148 HydrophobicContact CD2-CD1 3.77Å; L145-L148 HydrophobicContact CD2-CD1 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.35Å; L145-L148 PolarHBondContact O-N 3.17Å; H146-L148 VanDerWaalsContact C-N 3.31Å; L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 3.37Å; L148-R151 HydrophobicContact CB-CB 4.5Å
149	R	89.8	Confident	96.7	Very high	218 Å²	218	57 Å²	57	82%	0.823	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.2	-173.1	-63.2	-169.4	-176.7	-114	0.8	115.4	S147	S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3.27Å
150	H	90.3	Very high	96.4	Very high	190 Å²	190	57.2 Å²	57.2	88%	0.88	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	19.3	-172.9	-60.2	-63.6	0	0	0	113.3	L148	L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 3.37Å
151	R	94.1	Very high	96.2	Very high	31 Å²	31	59.9 Å²	59.9	12%	0.117	29%	0.293	C	S	.	.	S	Bend	trans	-131.7	132.5	-178.1	-173.4	176.9	-70.3	-108.2	7.6	109.6	L111 L116 A119 L121 L148 W153	L111-R151 VanDerWaalsContact CD2-NH1 3.34Å; L111-R151 PolarHBondContact O-NH2 2.97Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.45Å; L116-R151 PolarHBondContact O-NH2 3.42Å; A119-R151 PolarHBondContact O-NH1 2.98Å; A119-R151 VanDerWaalsContact O-NH1 3.09Å; L121-R151 HydrophobicContact CB-CG 4.44Å; L148-R151 HydrophobicContact CB-CB 4.5Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 3.36Å
152	N	95.9	Very high	95.9	Very high	96 Å²	96	57.3 Å²	57.3	51%	0.513	28%	0.283	S	S	.	.			trans	-72.6	118.1	170.7	-70.1	-25.1	0	0	0	108.6	V120 L121	V120-N152 HydrophobicContact CG1-CB 4.34Å; L121-N152 PolarHBondContact N-O 2.9Å
153	W	98.1	Very high	95.6	Very high	72 Å²	72	54.8 Å²	54.8	27%	0.273	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.4	177.6	66.2	-95.5	0	0	0	112.5	L121 I123 T140 L145 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.94Å; L121-W153 HydrophobicContact CD2-CB 4.08Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.56Å; L121-W153 WeakPolarHBondContact O-CA 3.49Å; I123-W153 HydrophobicContact CD1-CB 4.38Å; I123-W153 HydrophobicContact CD1-CE3 4.36Å; T140-W153 HydrophobicContact CG2-CH2 3.91Å; T140-W153 HydrophobicContact CG2-CZ3 4.36Å; L145-W153 HydrophobicContact CB-CD2 4.23Å; L145-W153 HydrophobicContact CB-CE3 4.22Å; L145-W153 HydrophobicContact CB-CH2 3.99Å; L145-W153 HydrophobicContact CB-CZ2 3.98Å; L145-W153 HydrophobicContact CB-CZ3 4.11Å; L145-W153 HydrophobicContact CD1-CE3 3.92Å; L145-W153 HydrophobicContact CD1-CZ3 3.87Å; L145-W153 PolarHBondContact O-NE1 3.11Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 3.36Å; W153-I155 HydrophobicContact CZ3-CG2 4.22Å; W153-W172 VanDerWaalsContact C-CH2 3.46Å
154	Y	98.4	Very high	95.5	Very high	84 Å²	84	59.9 Å²	59.9	33%	0.329	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.5	171.1	177.1	-117.5	0	0	0	109.7	L121 L122 I123 Q156 W172	L121-Y154 PolarHBondContact O-N 2.94Å; L122-Y154 CarbonylContact C-O 3.53Å; L122-Y154 WeakPolarHBondContact CA-O 3.26Å; L122-Y154 HydrophobicContact CD1-CD1 3.74Å; I123-Y154 VanDerWaalsContact CD1-O 3.27Å; I123-Y154 WeakPolarHBondContact CD1-O 3.24Å; I123-Y154 PolarHBondContact N-O 2.97Å; Y154-Q156 HydrophobicContact CD1-CB 4.33Å; Y154-Q156 HydrophobicContact CE1-CB 3.81Å; Y154-Q156 HydrophobicContact CE1-CG 4.41Å; Y154-Q156 PolarHBondContact OH-OE1 2.87Å; Y154-W172 HydrophobicContact CD1-CB 3.98Å; Y154-W172 AromaticContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CE3 4.07Å; Y154-W172 AromaticContact CD1-CG 3.73Å; Y154-W172 HydrophobicContact CD1-CG 3.73Å; Y154-W172 HydrophobicContact CE1-CB 4.27Å; Y154-W172 HydrophobicContact CE1-CG 4.37Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.91Å; Y154-W172 HydrophobicContact CG-CE3 4.22Å; Y154-W172 AromaticContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CZ2 4.43Å
155	I	98.6	Very high	95.5	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.7	174.6	-175.5	162.4	0	0	0	109	I123 A125 A136 I139 L145 W153	I123-I155 HydrophobicContact CB-CB 4.09Å; I123-I155 HydrophobicContact CB-CD1 4.27Å; I123-I155 HydrophobicContact CB-CG1 3.94Å; I123-I155 HydrophobicContact CG2-CD1 3.9Å; I123-I155 HydrophobicContact CG2-CG1 3.97Å; I123-I155 WeakPolarHBondContact O-CA 3.22Å; A125-I155 HydrophobicContact CB-CD1 4.24Å; A125-I155 HydrophobicContact CB-CG1 4.25Å; A136-I155 HydrophobicContact CB-CD1 4.31Å; A136-I155 HydrophobicContact CB-CG1 4.26Å; A136-I155 HydrophobicContact CB-CG2 4.38Å; A136-I155 WeakPolarHBondContact O-CD1 3.46Å; I139-I155 HydrophobicContact CB-CD1 3.92Å; I139-I155 HydrophobicContact CG2-CD1 3.61Å; L145-I155 HydrophobicContact CD1-CB 4.49Å; L145-I155 HydrophobicContact CD1-CD1 4.38Å; W153-I155 HydrophobicContact CZ3-CG2 4.22Å
156	Q	98.7	Very high	95.3	Very high	28 Å²	28	59.7 Å²	59.7	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.2	-179.9	-178.5	56.5	60.1	0	0	109	L122 I123 F124 A125 Y154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.35Å; I123-Q156 PolarHBondContact O-N 3.34Å; F124-Q156 HydrophobicContact CD1-CB 4.03Å; F124-Q156 HydrophobicContact CD1-CG 4.37Å; F124-Q156 HydrophobicContact CE1-CB 4.17Å; F124-Q156 HydrophobicContact CE1-CG 4.22Å; A125-Q156 PolarHBondContact N-O 3.29Å; Y154-Q156 HydrophobicContact CD1-CB 4.33Å; Y154-Q156 HydrophobicContact CE1-CB 3.81Å; Y154-Q156 HydrophobicContact CE1-CG 4.41Å; Y154-Q156 PolarHBondContact OH-OE1 2.87Å; Q156-T158 HydrophobicContact CB-CG2 4.46Å; Q156-T158 HydrophobicContact CG-CG2 3.9Å; Q156-G165 WeakPolarHBondContact CG-O 3.25Å
157	A	98.6	Very high	95.1	Very high	37 Å²	37	58.5 Å²	58.5	31%	0.306	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.5	168.9	0	0	0	0	0	109	Q128	Q128-A157 HydrophobicContact CG-CB 3.99Å
158	T	98.4	Very high	95.1	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	29%	0.29	C	S	.	.			trans	-140.9	155.8	-176.1	59.3	0	0	0	0	114.1	F124 A125 N126 K127 Q128 Q156 D164 L166	F124-T158 HydrophobicContact CB-CG2 4.41Å; F124-T158 HydrophobicContact CD1-CG2 3.28Å; F124-T158 HydrophobicContact CE1-CG2 3.65Å; F124-T158 HydrophobicContact CG-CG2 4.05Å; A125-T158 PolarHBondContact O-N 3.11Å; N126-T158 CarbonylContact C-O 3.49Å; N126-T158 WeakPolarHBondContact CA-O 3.15Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.13Å; K127-T158 PolarHBondContact N-O 3.32Å; K127-T158 VanDerWaalsContact N-O 3.11Å; Q128-T158 WeakPolarHBondContact CG-O 3.47Å; Q128-T158 PolarHBondContact N-O 2.64Å; Q128-T158 VanDerWaalsContact N-O 3.15Å; Q156-T158 HydrophobicContact CB-CG2 4.46Å; Q156-T158 HydrophobicContact CG-CG2 3.9Å; T158-D164 VanDerWaalsContact CA-O 3.25Å; T158-D164 WeakPolarHBondContact CA-O 3.44Å; T158-D164 WeakPolarHBondContact CB-O 3.39Å; T158-L166 HydrophobicContact CG2-CD2 3.95Å
159	C	97.5	Very high	95.2	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.068	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-127	104.8	164.2	176.9	0	0	0	0	108.5	D129 T161 S162 G163 D164	D129-C159 PolarHBondContact OD1-SG 2.89Å; D129-C159 VanDerWaalsContact OD1-SG 3.36Å; C159-T161 PolarHBondContact O-N 3.15Å; C159-T161 PolarHBondContact SG-OG1 2.97Å; C159-S162 VanDerWaalsContact CB-OG 3.31Å; C159-S162 WeakPolarHBondContact CB-OG 3.34Å; C159-S162 PolarHBondContact O-N 3.37Å; C159-S162 PolarHBondContact O-OG 3.33Å; C159-S162 PolarHBondContact SG-OG 2.8Å; C159-S162 VanDerWaalsContact SG-OG 3.36Å; C159-G163 CarbonylContact O-C 3.6Å; C159-G163 WeakPolarHBondContact O-CA 3.35Å; C159-G163 PolarHBondContact O-N 2.96Å; C159-D164 HydrophobicContact CB-CB 4.45Å; C159-D164 PolarHBondContact N-O 2.75Å; C159-D164 PolarHBondContact O-N 3.09Å
160	A	93.6	Very high	95.2	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.3	-175.6	0	0	0	0	0	113.6	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.82Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.53Å; N126-A160 WeakPolarHBondContact OD1-CB 3.4Å; N126-A160 PolarHBondContact OD1-N 2.86Å
161	T	92.8	Very high	95.2	Very high	66 Å²	66	42 Å²	42	41%	0.405	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-46.5	-178.6	52.4	0	0	0	0	111.3	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.22Å; K36-T161 PolarHBondContact NZ-O 3.03Å; I42-T161 VanDerWaalsContact CD1-O 3.26Å; I42-T161 WeakPolarHBondContact CD1-O 3.42Å; I42-T161 VanDerWaalsContact CG1-O 3.24Å; I42-T161 WeakPolarHBondContact CG1-O 3.46Å; C159-T161 PolarHBondContact O-N 3.15Å; C159-T161 PolarHBondContact SG-OG1 2.97Å
162	S	92.8	Very high	95.3	Very high	48 Å²	48	43 Å²	43	34%	0.336	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-33.1	174.9	65.3	0	0	0	0	112.2	K36 C159 D164	K36-S162 WeakPolarHBondContact CE-O 3.16Å; K36-S162 VanDerWaalsContact NZ-C 3.35Å; K36-S162 PolarHBondContact NZ-O 2.82Å; C159-S162 VanDerWaalsContact CB-OG 3.31Å; C159-S162 WeakPolarHBondContact CB-OG 3.34Å; C159-S162 PolarHBondContact O-N 3.37Å; C159-S162 PolarHBondContact O-OG 3.33Å; C159-S162 PolarHBondContact SG-OG 2.8Å; C159-S162 VanDerWaalsContact SG-OG 3.36Å; S162-D164 WeakPolarHBondContact CB-OD2 3.33Å; S162-D164 PolarHBondContact OG-N 3.22Å; S162-D164 PolarHBondContact OG-OD2 3.15Å
163	G	92.6	Very high	95.1	Very high	8 Å²	8	38.4 Å²	38.4	8%	0.082	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-0.3	-173.2	0	0	0	0	0	113.6	C159 G165 L166	C159-G163 CarbonylContact O-C 3.6Å; C159-G163 WeakPolarHBondContact O-CA 3.35Å; C159-G163 PolarHBondContact O-N 2.96Å; G163-G165 PolarHBondContact O-N 3.4Å; G163-L166 WeakPolarHBondContact O-CB 3.46Å; G163-L166 WeakPolarHBondContact O-CG 3.29Å; G163-L166 PolarHBondContact O-N 3.14Å
164	D	96.4	Very high	94.5	Very high	107 Å²	107	35.1 Å²	35.1	57%	0.572	18%	0.183	S	C	*	.	B	Isolated β-bridge	trans	-62.3	135.4	-176.4	-59.5	-33.8	0	0	0	111	T158 C159 S162 L166	T158-D164 VanDerWaalsContact CA-O 3.25Å; T158-D164 WeakPolarHBondContact CA-O 3.44Å; T158-D164 WeakPolarHBondContact CB-O 3.39Å; C159-D164 HydrophobicContact CB-CB 4.45Å; C159-D164 PolarHBondContact N-O 2.75Å; C159-D164 PolarHBondContact O-N 3.09Å; S162-D164 WeakPolarHBondContact CB-OD2 3.33Å; S162-D164 PolarHBondContact OG-N 3.22Å; S162-D164 PolarHBondContact OG-OD2 3.15Å; D164-L166 PolarHBondContact O-N 3.17Å
165	G	96.6	Very high	94.1	Very high	7 Å²	7	35 Å²	35	7%	0.072	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-13.5	178.7	0	0	0	0	0	115.1	Q156 G163 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.25Å; G163-G165 PolarHBondContact O-N 3.4Å; G165-E168 WeakPolarHBondContact CA-OE2 3.29Å; G165-E168 PolarHBondContact N-OE2 3.42Å; G165-G169 PolarHBondContact O-N 3.25Å
166	L	93.4	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-46.7	-176.7	-62.8	-175.6	0	0	0	111.3	I33 K36 L37 F124 T158 G163 D164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.87Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 4.05Å; K36-L166 HydrophobicContact CB-CD1 4.24Å; K36-L166 HydrophobicContact CG-CD1 3.94Å; L37-L166 HydrophobicContact CD2-CB 4.4Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; F124-L166 HydrophobicContact CE1-CD2 4.43Å; F124-L166 HydrophobicContact CE2-CD2 4.33Å; F124-L166 HydrophobicContact CZ-CD2 4.22Å; T158-L166 HydrophobicContact CG2-CD2 3.95Å; G163-L166 WeakPolarHBondContact O-CB 3.46Å; G163-L166 WeakPolarHBondContact O-CG 3.29Å; G163-L166 PolarHBondContact O-N 3.14Å; D164-L166 PolarHBondContact O-N 3.17Å; L166-G169 PolarHBondContact O-N 2.84Å; L166-L170 WeakPolarHBondContact O-CB 3.28Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.11Å; L166-L170 PolarHBondContact O-N 3.37Å
167	Y	91.5	Very high	93.1	Very high	102 Å²	102	35.4 Å²	35.4	40%	0.4	19%	0.19	S	C	.	.	H	α-helix	trans	-69.4	-35.6	-176.9	-68.8	-67.5	0	0	0	112.3	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CE1 4.27Å; Y58-Y167 HydrophobicContact CD2-CD1 4.2Å; Y58-Y167 HydrophobicContact CD2-CE1 4.12Å; Y58-Y167 AromaticContact CE2-CD1 3.34Å; Y58-Y167 HydrophobicContact CE2-CD1 3.34Å; Y58-Y167 AromaticContact CE2-CE1 3.59Å; Y58-Y167 HydrophobicContact CE2-CE1 3.59Å; Y58-Y167 AromaticContact CZ-CD1 3.75Å; Y167-L170 PolarHBondContact O-N 2.91Å; Y167-D171 VanDerWaalsContact O-CB 3.23Å; Y167-D171 WeakPolarHBondContact O-CB 3.25Å; Y167-D171 VanDerWaalsContact O-CG 3.28Å; Y167-D171 PolarHBondContact O-N 3.22Å
168	E	95.1	Very high	92.3	Very high	108 Å²	108	38.2 Å²	38.2	51%	0.505	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-46	176.5	-64.7	85.2	164.1	0	0	111.2	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.29Å; G165-E168 PolarHBondContact N-OE2 3.42Å; E168-D171 PolarHBondContact O-N 2.62Å; E168-W172 PolarHBondContact O-N 3.43Å
169	G	95.3	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-43.1	176	0	0	0	0	0	112.3	L122 G165 L166 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.25Å; G165-G169 PolarHBondContact O-N 3.25Å; L166-G169 PolarHBondContact O-N 2.84Å; G169-W172 PolarHBondContact O-N 2.74Å; G169-L173 WeakPolarHBondContact O-CB 3.4Å; G169-L173 PolarHBondContact O-N 3.02Å
170	L	91.2	Very high	89.8	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-35	176.6	-70.9	176.9	0	0	0	112.7	L37 Y58 I89 F124 L166 Y167 L173 A174	L37-L170 HydrophobicContact CD1-CD1 3.75Å; L37-L170 HydrophobicContact CD2-CD1 3.49Å; L37-L170 VanDerWaalsContact CD2-CD1 3.49Å; L37-L170 HydrophobicContact CG-CD1 4.27Å; Y58-L170 HydrophobicContact CD1-CB 4.05Å; Y58-L170 HydrophobicContact CD1-CD1 4.44Å; Y58-L170 HydrophobicContact CE1-CB 3.87Å; Y58-L170 HydrophobicContact CG-CD1 4.45Å; I89-L170 HydrophobicContact CD1-CD2 3.89Å; F124-L170 HydrophobicContact CZ-CG 4.4Å; L166-L170 WeakPolarHBondContact O-CB 3.28Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.11Å; L166-L170 PolarHBondContact O-N 3.37Å; Y167-L170 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 3.18Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 3.21Å
171	D	90.4	Very high	87.7	Confident	48 Å²	48	60 Å²	60	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-44.2	175.3	-86.4	3	0	0	0	111.5	Y58 K59 Y167 E168 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.37Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.28Å; Y58-D171 PolarHBondContact OH-OD1 2.72Å; K59-D171 WeakPolarHBondContact CE-OD1 3.24Å; K59-D171 IonicContact NZ-OD1 3.87Å; K59-D171 PolarHBondContact NZ-OD1 3.13Å; K59-D171 IonicContact NZ-OD2 2.65Å; K59-D171 PolarHBondContact NZ-OD2 2.98Å; Y167-D171 VanDerWaalsContact O-CB 3.23Å; Y167-D171 WeakPolarHBondContact O-CB 3.25Å; Y167-D171 VanDerWaalsContact O-CG 3.28Å; Y167-D171 PolarHBondContact O-N 3.22Å; E168-D171 PolarHBondContact O-N 2.62Å; D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 2.91Å; D171-N175 PolarHBondContact O-ND2 2.91Å; D171-N175 VanDerWaalsContact O-ND2 3.11Å
172	W	94.4	Very high	87.5	Confident	50 Å²	50	59.8 Å²	59.8	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-50.5	172.2	176	91.1	0	0	0	110.9	V120 L121 L122 W153 Y154 E168 G169 A174 N175 Q176	V120-W172 HydrophobicContact CG1-CH2 3.5Å; V120-W172 HydrophobicContact CG1-CZ2 4.49Å; V120-W172 HydrophobicContact CG1-CZ3 3.68Å; L121-W172 WeakPolarHBondContact O-CH2 3.47Å; L121-W172 WeakPolarHBondContact O-CZ3 3.46Å; L122-W172 HydrophobicContact CB-CZ3 4.18Å; L122-W172 HydrophobicContact CD1-CE3 4.11Å; L122-W172 HydrophobicContact CD1-CZ3 4.41Å; W153-W172 VanDerWaalsContact C-CH2 3.46Å; Y154-W172 HydrophobicContact CD1-CB 3.98Å; Y154-W172 AromaticContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CE3 4.07Å; Y154-W172 AromaticContact CD1-CG 3.73Å; Y154-W172 HydrophobicContact CD1-CG 3.73Å; Y154-W172 HydrophobicContact CE1-CB 4.27Å; Y154-W172 HydrophobicContact CE1-CG 4.37Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.91Å; Y154-W172 HydrophobicContact CG-CE3 4.22Å; Y154-W172 AromaticContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CZ2 4.43Å; E168-W172 PolarHBondContact O-N 3.43Å; G169-W172 PolarHBondContact O-N 2.74Å; W172-A174 PolarHBondContact O-N 2.67Å; W172-N175 PolarHBondContact O-N 3.22Å; W172-Q176 HydrophobicContact CD2-CG 3.91Å; W172-Q176 HydrophobicContact CE3-CG 4.23Å; W172-Q176 HydrophobicContact CH2-CG 3.87Å; W172-Q176 HydrophobicContact CZ2-CG 3.51Å; W172-Q176 HydrophobicContact CZ3-CG 4.21Å; W172-Q176 WeakPolarHBondContact O-CG 3.49Å; W172-Q176 PolarHBondContact O-N 3.49Å
173	L	91.8	Very high	87.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-45.3	-177.4	-176.2	55.4	0	0	0	111.7	I20 I89 V120 L122 G169 L170 N175 Q176 L177	I20-L173 HydrophobicContact CD1-CD2 3.52Å; I20-L173 HydrophobicContact CD1-CG 4Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.67Å; V120-L173 HydrophobicContact CB-CD1 3.92Å; V120-L173 HydrophobicContact CG1-CD1 3.62Å; L122-L173 HydrophobicContact CB-CD1 4.5Å; L122-L173 HydrophobicContact CB-CD2 4.03Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 3.94Å; G169-L173 WeakPolarHBondContact O-CB 3.4Å; G169-L173 PolarHBondContact O-N 3.02Å; L170-L173 PolarHBondContact O-N 3.18Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 2.71Å; L173-Q176 PolarHBondContact O-N 3.4Å; L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CG 4.24Å; L173-L177 HydrophobicContact CG-CD1 4.09Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.27Å; L173-L177 PolarHBondContact O-N 2.69Å
174	A	86.7	Confident	86.9	Confident	3 Å²	3	63.3 Å²	63.3	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-42.8	174.9	0	0	0	0	0	112.1	I61 L170 W172 L177 K178	I61-A174 HydrophobicContact CD1-CB 3.42Å; I61-A174 VanDerWaalsContact CD1-CB 3.42Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 3.21Å; W172-A174 PolarHBondContact O-N 2.67Å; A174-L177 PolarHBondContact O-N 2.8Å; A174-K178 VanDerWaalsContact O-CG 3.29Å; A174-K178 WeakPolarHBondContact O-CG 3.18Å; A174-K178 PolarHBondContact O-N 2.97Å
175	N	89.3	Confident	86.4	Confident	83 Å²	83	60.7 Å²	60.7	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-41.7	178.1	-72.1	-26.7	0	0	0	112	D171 W172 L173 L177 K178 N179	D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 2.91Å; D171-N175 PolarHBondContact O-ND2 2.91Å; D171-N175 VanDerWaalsContact O-ND2 3.11Å; W172-N175 PolarHBondContact O-N 3.22Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 2.71Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 2.95Å; N175-K178 PolarHBondContact O-N 2.78Å; N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-ND2 3.18Å
176	Q	91.4	Very high	85.7	Confident	52 Å²	52	64.1 Å²	64.1	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.1	-65.2	-51.9	-40.4	0	0	112	V120 W172 L173 K178 N179 K180	V120-Q176 HydrophobicContact CG1-CB 3.79Å; V120-Q176 HydrophobicContact CG1-CG 4.11Å; V120-Q176 HydrophobicContact CG2-CB 4.21Å; W172-Q176 HydrophobicContact CD2-CG 3.91Å; W172-Q176 HydrophobicContact CE3-CG 4.23Å; W172-Q176 HydrophobicContact CH2-CG 3.87Å; W172-Q176 HydrophobicContact CZ2-CG 3.51Å; W172-Q176 HydrophobicContact CZ3-CG 4.21Å; W172-Q176 WeakPolarHBondContact O-CG 3.49Å; W172-Q176 PolarHBondContact O-N 3.49Å; L173-Q176 PolarHBondContact O-N 3.4Å; Q176-K178 PolarHBondContact O-N 3.41Å; Q176-N179 PolarHBondContact O-N 3.09Å; Q176-K180 PolarHBondContact O-N 3Å
177	L	86.3	Confident	85.2	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-71.1	-28.5	-179.2	-65.6	175.6	0	0	0	113.4	M18 I20 F63 Q86 V120 L173 A174 N175	M18-L177 HydrophobicContact CB-CD1 4.5Å; M18-L177 HydrophobicContact CE-CB 3.97Å; M18-L177 WeakPolarHBondContact CE-O 3.29Å; M18-L177 HydrophobicContact SD-CB 4.47Å; I20-L177 HydrophobicContact CD1-CD1 3.84Å; I20-L177 HydrophobicContact CG1-CD1 4.16Å; F63-L177 HydrophobicContact CE1-CD1 3.99Å; Q86-L177 HydrophobicContact CB-CD2 4.02Å; Q86-L177 VanDerWaalsContact O-CD2 3.27Å; Q86-L177 WeakPolarHBondContact O-CD2 3.09Å; V120-L177 HydrophobicContact CB-CD2 4.2Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å; L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CG 4.24Å; L173-L177 HydrophobicContact CG-CD1 4.09Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.27Å; L173-L177 PolarHBondContact O-N 2.69Å; A174-L177 PolarHBondContact O-N 2.8Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 2.95Å
178	K	81.7	Confident	84.7	Confident	96 Å²	96	65.9 Å²	65.9	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-69.5	-38.3	172.5	-78.4	173.3	-179.6	178.2	0	112.6	N60 A174 N175 Q176 K180	N60-K178 WeakPolarHBondContact OD1-CE 3.31Å; N60-K178 PolarHBondContact OD1-NZ 3.04Å; A174-K178 VanDerWaalsContact O-CG 3.29Å; A174-K178 WeakPolarHBondContact O-CG 3.18Å; A174-K178 PolarHBondContact O-N 2.97Å; N175-K178 PolarHBondContact O-N 2.78Å; Q176-K178 PolarHBondContact O-N 3.41Å; K178-K180 VanDerWaalsContact C-N 3.3Å
179	N	74.2	Confident	83.9	Confident	126 Å²	126	62.7 Å²	62.7	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-80.2	-15.3	-176.8	-67.3	-23.1	0	0	0	113.1	N175 Q176 K181	N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-ND2 3.18Å; Q176-N179 PolarHBondContact O-N 3.09Å; N179-K181 PolarHBondContact O-N 2.98Å
180	K	68.3	Low	83	Confident	79 Å²	79	67.9 Å²	67.9	34%	0.343	32%	0.317	S	S	.	.			trans	-75.2	107.7	173.8	-142.4	-179.2	175.9	-155.7	0	109.2	D118 V120 Q176 K178	D118-K180 WeakPolarHBondContact O-CE 3.11Å; D118-K180 PolarHBondContact O-NZ 3.2Å; V120-K180 HydrophobicContact CG2-CD 4.37Å; Q176-K180 PolarHBondContact O-N 3Å; K178-K180 VanDerWaalsContact C-N 3.3Å
181	K	50.5	Low	82.3	Confident	269 Å²	269	73.5 Å²	73.5	100%	1.17	34%	0.343	S	S	*	.			trans	-63.9	0	176.5	-78	-176.4	171.6	178.8	0	111	N179	N179-K181 PolarHBondContact O-N 2.98Å

Retrieved 181 of 181 residues in 62 ms (Link to these results)

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