A0A077ZAQ5_TRITR Loading...

Chromobox protein 3

AlphaFold DB , UniProt , Accession A0A077ZAQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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	38.3	Very low	35.5	Very low	243 Å²	243	158.7 Å²	158.7	100%	1.197	81%	0.808	S	S	*	*				0	100.4	0	-159.8	-179.1	-82.8	0	0	104.4
2	I	38.3	Very low	35.2	Very low	149 Å²	149	164.6 Å²	164.6	76%	0.764	81%	0.812	S	S	*	*			cis	-136.9	144.6	47.4	-72.1	162.8	0	0	0	110.2	F4	I2-F4 HydrophobicContact CG2-CD2 3.94Å; I2-F4 HydrophobicContact CG2-CE2 4.14Å
3	S	31.8	Very low	35.5	Very low	80 Å²	80	159.8 Å²	159.8	56%	0.559	81%	0.805	S	S	*	*			trans	-89.9	141.2	165.9	148.4	0	0	0	0	109.1
4	F	37.3	Very low	35.8	Very low	201 Å²	201	161.1 Å²	161.1	88%	0.882	81%	0.807	S	S	*	*			trans	-138.5	124.5	142.4	-92.2	-81.9	0	0	0	109.4	I2	I2-F4 HydrophobicContact CG2-CD2 3.94Å; I2-F4 HydrophobicContact CG2-CE2 4.14Å
5	F	37.4	Very low	36.5	Very low	176 Å²	176	161.4 Å²	161.4	77%	0.772	81%	0.812	S	S	*	*			trans	-89.3	175.9	170.1	-88.3	-94.8	0	0	0	110.6
6	Y	28.6	Very low	37.4	Very low	212 Å²	212	161.8 Å²	161.8	83%	0.831	81%	0.81	S	S	*	*			trans	109.7	132.8	164.4	-75	-91.7	0	0	0	113.2
7	F	34.3	Very low	38.7	Very low	171 Å²	171	157.9 Å²	157.9	75%	0.75	81%	0.81	S	S	*	*			cis	-173.9	154.9	-16.4	-164.9	-104.8	0	0	0	104.2	S9	F7-S9 PolarHBondContact O-N 2.9Å
8	Q	32.5	Very low	40.3	Very low	172 Å²	172	154.2 Å²	154.2	80%	0.804	80%	0.798	S	S	*	*			trans	-50.2	127	177.2	-67.7	170.8	-17.2	0	0	112.1
9	S	36.6	Very low	42.4	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	80%	0.802	S	S	*	*			trans	-117.6	96	150	40.8	0	0	0	0	107.5	F7	F7-S9 PolarHBondContact O-N 2.9Å
10	S	37.5	Very low	44.6	Very low	95 Å²	95	153.3 Å²	153.3	66%	0.664	79%	0.785	S	S	*	*			trans	-56.5	131.6	153.1	-76.2	0	0	0	0	107.5	R12	S10-R12 PolarHBondContact O-N 3.22Å
11	P	37.7	Very low	46.8	Very low	134 Å²	134	150.8 Å²	150.8	87%	0.87	78%	0.777	S	S	*	*			trans	-73.6	88.5	162.2	30.9	-26.4	0	0	0	105.5	S13	P11-S13 PolarHBondContact O-N 3.41Å
12	R	32.1	Very low	49.6	Very low	229 Å²	229	140.1 Å²	140.1	86%	0.864	73%	0.725	S	S	*	*			trans	-88.3	109.7	175.9	-146	174.8	-172.8	159.2	0.7	106.8	S10	S10-R12 PolarHBondContact O-N 3.22Å
13	S	39.3	Very low	52.3	Low	102 Å²	102	137.2 Å²	137.2	71%	0.713	71%	0.709	S	S	*	*			trans	60.7	109.9	172.8	53.8	0	0	0	0	116.7	P11 D15	P11-S13 PolarHBondContact O-N 3.41Å; S13-D15 PolarHBondContact O-N 3.2Å
14	E	38.8	Very low	55.3	Low	178 Å²	178	137.7 Å²	137.7	83%	0.832	70%	0.698	S	S	*	*			trans	-41.4	130.6	146.2	-68.6	163.2	163.9	0	0	108.5	E16	E14-E16 PolarHBondContact O-N 2.84Å
15	D	47.5	Very low	58.2	Low	166 Å²	166	129 Å²	129	89%	0.888	66%	0.66	S	S	*	*			trans	-57.2	85	170.4	-65.2	-56.6	0	0	0	108.7	S13 A17	S13-D15 PolarHBondContact O-N 3.2Å; D15-A17 PolarHBondContact O-N 3.03Å
16	E	50.4	Low	61	Low	167 Å²	167	122.7 Å²	122.7	78%	0.78	64%	0.636	S	S	*	*			trans	-61	108.9	163.5	-75.8	-179.7	171.6	0	0	105.5	E14 C18	E14-E16 PolarHBondContact O-N 2.84Å; E16-C18 PolarHBondContact O-N 3.44Å
17	A	60.2	Low	64.2	Low	97 Å²	97	115.5 Å²	115.5	80%	0.802	61%	0.612	S	S	*	*			trans	-55.9	99.8	176.3	0	0	0	0	0	108.7	D15 E19	D15-A17 PolarHBondContact O-N 3.03Å; A17-E19 PolarHBondContact O-N 2.95Å
18	C	67	Low	67.1	Low	90 Å²	90	108.9 Å²	108.9	61%	0.608	58%	0.583	S	S	*	*			trans	-71.3	118	176.2	-73.9	0	0	0	0	108.5	E16 F20	E16-C18 PolarHBondContact O-N 3.44Å; C18-F20 HydrophobicContact CB-CD2 4.24Å; C18-F20 HydrophobicContact CB-CE2 3.44Å; C18-F20 VanDerWaalsContact CB-CE2 3.44Å; C18-F20 HydrophobicContact CB-CZ 3.68Å; C18-F20 WeakPolarHBondContact O-CD2 3.39Å; C18-F20 VanDerWaalsContact O-CE2 3.31Å; C18-F20 WeakPolarHBondContact O-CE2 3.32Å
19	E	79.5	Confident	70	Confident	184 Å²	184	105.5 Å²	105.5	86%	0.86	56%	0.562	S	S	*	*			trans	-74	125.8	170.5	-69.6	-178.8	-178.6	0	0	109.7	A17	A17-E19 PolarHBondContact O-N 2.95Å
20	F	87.2	Confident	72.6	Confident	107 Å²	107	102.4 Å²	102.4	47%	0.469	54%	0.537	S	S	.	.			trans	-115.4	148.4	174.7	-63.3	-87.4	0	0	0	110.2	C18 W41 Y44	C18-F20 HydrophobicContact CB-CD2 4.24Å; C18-F20 HydrophobicContact CB-CE2 3.44Å; C18-F20 VanDerWaalsContact CB-CE2 3.44Å; C18-F20 HydrophobicContact CB-CZ 3.68Å; C18-F20 WeakPolarHBondContact O-CD2 3.39Å; C18-F20 VanDerWaalsContact O-CE2 3.31Å; C18-F20 WeakPolarHBondContact O-CE2 3.32Å; F20-W41 HydrophobicContact CB-CD2 4.33Å; F20-W41 HydrophobicContact CB-CE3 3.57Å; F20-W41 HydrophobicContact CB-CH2 4.42Å; F20-W41 HydrophobicContact CB-CZ3 3.63Å; F20-Y44 HydrophobicContact CD1-CE2 4.41Å
21	T	91.6	Very high	75.1	Confident	100 Å²	100	100.3 Å²	100.3	61%	0.613	52%	0.519	S	S	*	.			trans	-79.5	128.1	175.8	-61.1	0	0	0	0	110	D42	T21-D42 HydrophobicContact CG2-CB 4.04Å; T21-D42 WeakPolarHBondContact O-CB 3.49Å; T21-D42 PolarHBondContact O-N 3.24Å
22	V	95.1	Very high	77.4	Confident	19 Å²	19	101.4 Å²	101.4	12%	0.115	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.6	174.8	-178.8	0	0	0	0	109.1	L39 W41 M62	V22-L39 HydrophobicContact CG1-CD2 4.11Å; V22-L39 HydrophobicContact CG2-CD1 3.9Å; V22-W41 HydrophobicContact CG2-CE3 4.24Å; V22-W41 HydrophobicContact CG2-CZ3 3.79Å; V22-M62 HydrophobicContact CB-SD 4.11Å; V22-M62 HydrophobicContact CG1-SD 3.88Å; V22-M62 WeakPolarHBondContact O-CE 3.5Å
23	E	95.8	Very high	79.8	Confident	89 Å²	89	91.4 Å²	91.4	42%	0.416	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-50.1	171.1	-175.2	-165.4	126.6	0	0	110.3	K40 D42	E23-K40 WeakPolarHBondContact CA-O 3.46Å; E23-K40 HydrophobicContact CB-CG 4.1Å; E23-K40 VanDerWaalsContact CB-O 3.27Å; E23-K40 WeakPolarHBondContact CB-O 3.47Å; E23-K40 HydrophobicContact CG-CG 4.46Å; E23-K40 PolarHBondContact N-O 3.12Å; E23-K40 IonicContact OE2-NZ 2.74Å; E23-K40 PolarHBondContact OE2-NZ 2.95Å; E23-D42 HydrophobicContact CB-CB 4.4Å
24	R	95.8	Very high	82	Confident	90 Å²	90	93.8 Å²	93.8	34%	0.34	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	157.9	177.2	61.7	-179.5	-175.4	86.2	-0.1	112.1	K40 E46	R24-K40 HydrophobicContact CG-CB 3.74Å; R24-K40 HydrophobicContact CG-CG 4.26Å; R24-K40 PolarHBondContact N-O 3.19Å; R24-K40 PolarHBondContact O-N 3.47Å; R24-E46 IonicContact CZ-OE1 3.99Å; R24-E46 IonicContact NH2-OE1 2.76Å; R24-E46 PolarHBondContact NH2-OE1 3.26Å
25	I	97	Very high	84.4	Confident	17 Å²	17	85.4 Å²	85.4	9%	0.087	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.6	166.3	-59.3	176.5	0	0	0	108.7	Y37 L39 M62 I63 F66	I25-Y37 HydrophobicContact CD1-CD1 4.31Å; I25-Y37 HydrophobicContact CG2-CD1 3.59Å; I25-Y37 HydrophobicContact CG2-CE1 4.4Å; I25-Y37 HydrophobicContact CG2-CG 4.3Å; I25-L39 HydrophobicContact CG1-CD2 3.88Å; I25-M62 HydrophobicContact CD1-CB 4.19Å; I25-M62 HydrophobicContact CG1-CB 4.43Å; I25-I63 VanDerWaalsContact CD1-CA 3.46Å; I25-I63 HydrophobicContact CD1-CB 4.12Å; I25-I63 HydrophobicContact CD1-CG1 3.57Å; I25-F66 HydrophobicContact CB-CB 4.06Å; I25-F66 HydrophobicContact CB-CD2 3.91Å; I25-F66 HydrophobicContact CB-CG 3.96Å; I25-F66 HydrophobicContact CD1-CB 4.18Å; I25-F66 HydrophobicContact CG2-CB 4.15Å; I25-F66 HydrophobicContact CG2-CD1 3.86Å; I25-F66 HydrophobicContact CG2-CD2 3.49Å; I25-F66 VanDerWaalsContact CG2-CD2 3.49Å; I25-F66 HydrophobicContact CG2-CE1 4.11Å; I25-F66 HydrophobicContact CG2-CE2 3.76Å; I25-F66 HydrophobicContact CG2-CG 3.54Å; I25-F66 HydrophobicContact CG2-CZ 4.06Å
26	V	96.8	Very high	86.7	Confident	44 Å²	44	79.1 Å²	79.1	27%	0.267	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-50.5	-177	-173.9	0	0	0	0	110.5	L38 K40	V26-L38 HydrophobicContact CB-CB 4.14Å; V26-L38 HydrophobicContact CB-CD2 3.94Å; V26-L38 HydrophobicContact CB-CG 3.93Å; V26-L38 WeakPolarHBondContact CB-O 3.44Å; V26-L38 HydrophobicContact CG1-CD2 3.86Å; V26-L38 HydrophobicContact CG1-CG 4.4Å; V26-L38 HydrophobicContact CG2-CG 4.32Å; V26-L38 PolarHBondContact N-O 3.31Å; V26-K40 HydrophobicContact CG2-CB 3.78Å
27	D	96.1	Very high	88.8	Confident	61 Å²	61	71.1 Å²	71.1	33%	0.326	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	176.8	-178.5	-150.1	1.9	0	0	0	111.7	Y37 L38 W51 K70	D27-Y37 WeakPolarHBondContact O-CA 3.4Å; D27-L38 HydrophobicContact CB-CB 4.27Å; D27-L38 PolarHBondContact O-N 2.84Å; D27-W51 HydrophobicContact CB-CH2 4.09Å; D27-K70 WeakPolarHBondContact OD1-CE 3.37Å; D27-K70 IonicContact OD1-NZ 3.68Å; D27-K70 PolarHBondContact OD1-NZ 2.73Å
28	R	94.2	Very high	90.6	Very high	33 Å²	33	68 Å²	68	13%	0.125	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.9	170.1	68.3	170.4	165.9	118.2	0.3	111.9	L35 E36 Y37 F66 E67	R28-L35 HydrophobicContact CB-CD1 4.15Å; R28-L35 HydrophobicContact CG-CD1 4.49Å; R28-E36 CarbonylContact C-O 3.59Å; R28-E36 VanDerWaalsContact CA-O 3.23Å; R28-E36 WeakPolarHBondContact CA-O 3.25Å; R28-Y37 HydrophobicContact CB-CD1 3.8Å; R28-Y37 HydrophobicContact CB-CE1 3.83Å; R28-F66 HydrophobicContact CB-CE1 3.89Å; R28-F66 HydrophobicContact CB-CZ 4.17Å; R28-F66 HydrophobicContact CG-CE1 3.83Å; R28-F66 HydrophobicContact CG-CZ 4.12Å; R28-E67 VanDerWaalsContact CD-OE1 3.24Å; R28-E67 WeakPolarHBondContact CD-OE1 3.44Å; R28-E67 IonicContact CZ-OE2 3.41Å; R28-E67 IonicContact NE-OE1 2.72Å; R28-E67 PolarHBondContact NE-OE1 3.15Å; R28-E67 IonicContact NE-OE2 3.15Å; R28-E67 PolarHBondContact NE-OE2 3.48Å; R28-E67 VanDerWaalsContact NE-OE2 3.1Å; R28-E67 IonicContact NH2-OE2 2.72Å; R28-E67 PolarHBondContact NH2-OE2 3.29Å
29	R	93.8	Very high	92.1	Very high	100 Å²	100	63.8 Å²	63.8	38%	0.377	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	168.3	172.1	72.4	-177.5	-177.4	-178.4	3.2	111	V31 E36 W51	R29-V31 HydrophobicContact CG-CG2 3.93Å; R29-E36 HydrophobicContact CG-CB 4.07Å; R29-E36 IonicContact CZ-OE2 2.84Å; R29-E36 PolarHBondContact N-O 3.1Å; R29-E36 IonicContact NE-OE2 3.99Å; R29-E36 PolarHBondContact NE-OE2 3.11Å; R29-E36 IonicContact NH2-OE2 2.7Å; R29-E36 PolarHBondContact NH2-OE2 3.3Å; R29-E36 PolarHBondContact O-N 3.07Å; R29-W51 HydrophobicContact CB-CE3 4.36Å; R29-W51 HydrophobicContact CB-CH2 3.77Å; R29-W51 HydrophobicContact CB-CZ2 4.49Å; R29-W51 HydrophobicContact CB-CZ3 3.72Å; R29-W51 HydrophobicContact CG-CD2 4.05Å; R29-W51 HydrophobicContact CG-CE3 3.52Å; R29-W51 HydrophobicContact CG-CH2 3.79Å; R29-W51 HydrophobicContact CG-CZ2 4.29Å; R29-W51 HydrophobicContact CG-CZ3 3.39Å; R29-W51 VanDerWaalsContact CZ-CD1 3.47Å; R29-W51 VanDerWaalsContact NE-CD2 3.31Å
30	I	90.5	Very high	92.9	Very high	49 Å²	49	55.6 Å²	55.6	25%	0.251	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.4	173	-54.8	164.6	0	0	0	107.1	R34 L105 K119 V126	I30-R34 VanDerWaalsContact CA-O 3.29Å; I30-R34 WeakPolarHBondContact CA-O 3.43Å; I30-L105 HydrophobicContact CD1-CD1 3.36Å; I30-L105 HydrophobicContact CD1-CD2 4.24Å; I30-L105 HydrophobicContact CD1-CG 4.44Å; I30-L105 HydrophobicContact CG1-CD1 4Å; I30-L105 HydrophobicContact CG1-CD2 4.34Å; I30-L105 HydrophobicContact CG2-CD2 4.5Å; I30-K119 HydrophobicContact CD1-CB 4.43Å; I30-K119 HydrophobicContact CD1-CD 4.04Å; I30-K119 HydrophobicContact CD1-CG 4.45Å; I30-K119 HydrophobicContact CG2-CD 4.34Å; I30-V126 HydrophobicContact CD1-CG1 3.65Å
31	V	90.7	Very high	93.3	Very high	50 Å²	50	52 Å²	52	30%	0.303	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125	175.8	178	0	0	0	0	107.5	R29 G33 R34	R29-V31 HydrophobicContact CG-CG2 3.93Å; V31-G33 PolarHBondContact O-N 3.35Å; V31-G33 VanDerWaalsContact O-N 3.09Å; V31-R34 PolarHBondContact N-O 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.36Å; V31-R34 PolarHBondContact O-N 2.85Å
32	D	86.3	Confident	93.5	Very high	158 Å²	158	51.9 Å²	51.9	85%	0.845	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	40.3	179.4	-58.3	-31.4	0	0	0	114	R34	D32-R34 PolarHBondContact O-N 3.25Å
33	G	81.9	Confident	93.6	Very high	19 Å²	19	54.5 Å²	54.5	20%	0.196	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	7.8	179.9	0	0	0	0	0	114.9	V31	V31-G33 PolarHBondContact O-N 3.35Å; V31-G33 VanDerWaalsContact O-N 3.09Å
34	R	84.9	Confident	93.6	Very high	151 Å²	151	55.9 Å²	55.9	57%	0.57	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.6	177	-60.5	-173.7	179.7	-165.1	-2	111	I30 V31 D32	I30-R34 VanDerWaalsContact CA-O 3.29Å; I30-R34 WeakPolarHBondContact CA-O 3.43Å; V31-R34 PolarHBondContact N-O 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.36Å; V31-R34 PolarHBondContact O-N 2.85Å; D32-R34 PolarHBondContact O-N 3.25Å
35	L	90.4	Very high	93.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.3	175.4	179.2	61.8	0	0	0	108.7	R28 Y37 M54 L105 N106	R28-L35 HydrophobicContact CB-CD1 4.15Å; R28-L35 HydrophobicContact CG-CD1 4.49Å; L35-Y37 HydrophobicContact CD2-CE2 3.95Å; L35-Y37 WeakPolarHBondContact CD2-OH 3.21Å; L35-Y37 HydrophobicContact CG-CE2 4.01Å; L35-M54 HydrophobicContact CB-CB 4.38Å; L35-M54 HydrophobicContact CD2-CB 4.49Å; L35-M54 HydrophobicContact CG-CB 4.44Å; L35-M54 PolarHBondContact O-N 3.31Å; L35-L105 HydrophobicContact CD2-CB 4.32Å; L35-L105 VanDerWaalsContact CD2-O 3.27Å; L35-L105 WeakPolarHBondContact CD2-O 3.41Å; L35-N106 HydrophobicContact CD2-CB 4.14Å
36	E	94.8	Very high	93.7	Very high	33 Å²	33	58.1 Å²	58.1	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.3	175.5	-65.3	177.8	172.4	0	0	110.2	R28 R29 W51 E52	R28-E36 CarbonylContact C-O 3.59Å; R28-E36 VanDerWaalsContact CA-O 3.23Å; R28-E36 WeakPolarHBondContact CA-O 3.25Å; R29-E36 HydrophobicContact CG-CB 4.07Å; R29-E36 IonicContact CZ-OE2 2.84Å; R29-E36 PolarHBondContact N-O 3.1Å; R29-E36 IonicContact NE-OE2 3.99Å; R29-E36 PolarHBondContact NE-OE2 3.11Å; R29-E36 IonicContact NH2-OE2 2.7Å; R29-E36 PolarHBondContact NH2-OE2 3.3Å; R29-E36 PolarHBondContact O-N 3.07Å; E36-W51 HydrophobicContact CB-CB 4.47Å; E36-W51 HydrophobicContact CB-CE3 3.99Å; E36-E52 CarbonylContact C-O 3.46Å; E36-E52 VanDerWaalsContact CA-O 3.29Å; E36-E52 WeakPolarHBondContact CA-O 3.31Å
37	Y	95.9	Very high	93.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	176.2	-70.3	-76.9	0	0	0	110.3	I25 D27 R28 L35 L39 W51 E52 M54 L57 I63 F66 E67 N106	I25-Y37 HydrophobicContact CD1-CD1 4.31Å; I25-Y37 HydrophobicContact CG2-CD1 3.59Å; I25-Y37 HydrophobicContact CG2-CE1 4.4Å; I25-Y37 HydrophobicContact CG2-CG 4.3Å; D27-Y37 WeakPolarHBondContact O-CA 3.4Å; R28-Y37 HydrophobicContact CB-CD1 3.8Å; R28-Y37 HydrophobicContact CB-CE1 3.83Å; L35-Y37 HydrophobicContact CD2-CE2 3.95Å; L35-Y37 WeakPolarHBondContact CD2-OH 3.21Å; L35-Y37 HydrophobicContact CG-CE2 4.01Å; Y37-L39 PolarHBondContact O-N 3.36Å; Y37-W51 CarbonylContact O-C 3.53Å; Y37-W51 WeakPolarHBondContact O-CA 3.41Å; Y37-E52 PolarHBondContact N-O 2.84Å; Y37-E52 PolarHBondContact O-N 2.8Å; Y37-M54 HydrophobicContact CD2-CB 4.29Å; Y37-M54 HydrophobicContact CE2-CB 3.93Å; Y37-M54 HydrophobicContact CE2-CG 3.83Å; Y37-L57 HydrophobicContact CD2-CD1 4.49Å; Y37-L57 HydrophobicContact CD2-CD2 3.7Å; Y37-L57 HydrophobicContact CG-CD2 4.03Å; Y37-I63 HydrophobicContact CE2-CD1 4.5Å; Y37-I63 HydrophobicContact CE2-CG2 4.34Å; Y37-I63 WeakPolarHBondContact OH-CG2 3.44Å; Y37-F66 HydrophobicContact CD1-CD1 4.26Å; Y37-F66 HydrophobicContact CD1-CE1 4.12Å; Y37-F66 AromaticContact CE1-CD1 3.81Å; Y37-F66 HydrophobicContact CE1-CD1 3.81Å; Y37-F66 AromaticContact CE1-CE1 3.81Å; Y37-F66 HydrophobicContact CE1-CE1 3.81Å; Y37-E67 WeakPolarHBondContact CE1-OE1 3.48Å; Y37-E67 PolarHBondContact OH-OE1 3.18Å; Y37-N106 PolarHBondContact OH-ND2 2.91Å
38	L	97.8	Very high	93.8	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.157	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.8	170.1	-177.1	63.1	0	0	0	107.9	V26 D27 N49 T50 W51	V26-L38 HydrophobicContact CB-CB 4.14Å; V26-L38 HydrophobicContact CB-CD2 3.94Å; V26-L38 HydrophobicContact CB-CG 3.93Å; V26-L38 WeakPolarHBondContact CB-O 3.44Å; V26-L38 HydrophobicContact CG1-CD2 3.86Å; V26-L38 HydrophobicContact CG1-CG 4.4Å; V26-L38 HydrophobicContact CG2-CG 4.32Å; V26-L38 PolarHBondContact N-O 3.31Å; D27-L38 HydrophobicContact CB-CB 4.27Å; D27-L38 PolarHBondContact O-N 2.84Å; L38-N49 HydrophobicContact CD1-CB 3.67Å; L38-N49 HydrophobicContact CG-CB 4.16Å; L38-T50 WeakPolarHBondContact CA-O 3.34Å; L38-W51 HydrophobicContact CB-CD2 3.96Å; L38-W51 HydrophobicContact CB-CE3 3.81Å; L38-W51 HydrophobicContact CB-CH2 3.75Å; L38-W51 HydrophobicContact CB-CZ2 3.88Å; L38-W51 HydrophobicContact CB-CZ3 3.68Å; L38-W51 HydrophobicContact CD1-CD2 4.13Å; L38-W51 HydrophobicContact CD1-CG 4.24Å; L38-W51 HydrophobicContact CD1-CZ2 4.44Å; L38-W51 HydrophobicContact CD2-CZ2 4.15Å; L38-W51 HydrophobicContact CG-CZ2 4.39Å; L38-W51 VanDerWaalsContact N-CE3 3.32Å
39	L	97.4	Very high	93.9	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.6	-175.7	-58.4	-172.9	0	0	0	110.7	V22 I25 Y37 W41 N49 T50 E52 L57	V22-L39 HydrophobicContact CG1-CD2 4.11Å; V22-L39 HydrophobicContact CG2-CD1 3.9Å; I25-L39 HydrophobicContact CG1-CD2 3.88Å; Y37-L39 PolarHBondContact O-N 3.36Å; L39-W41 HydrophobicContact CB-CD2 4.39Å; L39-W41 HydrophobicContact CB-CH2 4.38Å; L39-W41 HydrophobicContact CB-CZ2 4.1Å; L39-W41 HydrophobicContact CD1-CH2 3.51Å; L39-W41 HydrophobicContact CD1-CZ2 3.88Å; L39-W41 HydrophobicContact CD1-CZ3 3.95Å; L39-N49 VanDerWaalsContact O-CA 3.26Å; L39-N49 WeakPolarHBondContact O-CA 3.37Å; L39-N49 VanDerWaalsContact O-CB 3.29Å; L39-N49 WeakPolarHBondContact O-CB 3.47Å; L39-N49 PolarHBondContact O-OD1 3.4Å; L39-T50 PolarHBondContact N-O 3.01Å; L39-E52 HydrophobicContact CD1-CB 3.8Å; L39-E52 HydrophobicContact CD1-CG 3.56Å; L39-E52 HydrophobicContact CG-CB 4.31Å; L39-E52 HydrophobicContact CG-CG 4.19Å; L39-L57 HydrophobicContact CD1-CD1 4.44Å; L39-L57 HydrophobicContact CD1-CD2 4.41Å; L39-L57 HydrophobicContact CD1-CG 4.24Å; L39-L57 HydrophobicContact CD2-CD2 4.01Å
40	K	97.5	Very high	94.1	Very high	12 Å²	12	62.8 Å²	62.8	5%	0.052	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117	160.8	175.4	55.5	-179.6	61.8	0	108	E23 R24 V26 Y44 E46 N49	E23-K40 WeakPolarHBondContact CA-O 3.46Å; E23-K40 HydrophobicContact CB-CG 4.1Å; E23-K40 VanDerWaalsContact CB-O 3.27Å; E23-K40 WeakPolarHBondContact CB-O 3.47Å; E23-K40 HydrophobicContact CG-CG 4.46Å; E23-K40 PolarHBondContact N-O 3.12Å; E23-K40 IonicContact OE2-NZ 2.74Å; E23-K40 PolarHBondContact OE2-NZ 2.95Å; R24-K40 HydrophobicContact CG-CB 3.74Å; R24-K40 HydrophobicContact CG-CG 4.26Å; R24-K40 PolarHBondContact N-O 3.19Å; R24-K40 PolarHBondContact O-N 3.47Å; V26-K40 HydrophobicContact CG2-CB 3.78Å; K40-Y44 WeakPolarHBondContact CE-O 3.45Å; K40-Y44 PolarHBondContact NZ-O 3.11Å; K40-E46 HydrophobicContact CD-CG 4.17Å; K40-N49 WeakPolarHBondContact CA-OD1 3.27Å; K40-N49 WeakPolarHBondContact CD-OD1 3.41Å
41	W	96	Very high	94.4	Very high	33 Å²	33	64 Å²	64	13%	0.125	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137	-178.6	-58.2	113.9	0	0	0	111.8	F20 V22 L39 G43 Y44 E48 T50 E52	F20-W41 HydrophobicContact CB-CD2 4.33Å; F20-W41 HydrophobicContact CB-CE3 3.57Å; F20-W41 HydrophobicContact CB-CH2 4.42Å; F20-W41 HydrophobicContact CB-CZ3 3.63Å; V22-W41 HydrophobicContact CG2-CE3 4.24Å; V22-W41 HydrophobicContact CG2-CZ3 3.79Å; L39-W41 HydrophobicContact CB-CD2 4.39Å; L39-W41 HydrophobicContact CB-CH2 4.38Å; L39-W41 HydrophobicContact CB-CZ2 4.1Å; L39-W41 HydrophobicContact CD1-CH2 3.51Å; L39-W41 HydrophobicContact CD1-CZ2 3.88Å; L39-W41 HydrophobicContact CD1-CZ3 3.95Å; W41-G43 PolarHBondContact O-N 3.49Å; W41-Y44 HydrophobicContact CB-CD2 3.65Å; W41-Y44 HydrophobicContact CB-CG 4.21Å; W41-Y44 PolarHBondContact O-N 3.18Å; W41-E48 VanDerWaalsContact CD1-O 3.3Å; W41-T50 VanDerWaalsContact CZ2-OG1 3.24Å; W41-T50 WeakPolarHBondContact CZ2-OG1 3.46Å; W41-T50 PolarHBondContact NE1-OG1 2.61Å; W41-E52 HydrophobicContact CH2-CG 3.91Å; W41-E52 HydrophobicContact CZ2-CG 3.67Å
42	D	95.5	Very high	94.6	Very high	96 Å²	96	63.8 Å²	63.8	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.5	178.3	-172.8	63.4	0	0	0	110.9	T21 E23 Y44	T21-D42 HydrophobicContact CG2-CB 4.04Å; T21-D42 WeakPolarHBondContact O-CB 3.49Å; T21-D42 PolarHBondContact O-N 3.24Å; E23-D42 HydrophobicContact CB-CB 4.4Å; D42-Y44 VanDerWaalsContact C-N 3.34Å; D42-Y44 WeakPolarHBondContact O-CD2 3.46Å; D42-Y44 PolarHBondContact O-N 2.95Å
43	G	96.2	Very high	94.9	Very high	74 Å²	74	57.5 Å²	57.5	76%	0.763	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-4.7	-179.3	0	0	0	0	0	116.9	W41	W41-G43 PolarHBondContact O-N 3.49Å
44	Y	95.5	Very high	95.2	Very high	119 Å²	119	57.3 Å²	57.3	47%	0.467	30%	0.297	S	S	.	.	S	Bend	trans	-104.8	168.6	179.1	-63.4	-90.5	0	0	0	112.8	F20 K40 W41 D42	F20-Y44 HydrophobicContact CD1-CE2 4.41Å; K40-Y44 WeakPolarHBondContact CE-O 3.45Å; K40-Y44 PolarHBondContact NZ-O 3.11Å; W41-Y44 HydrophobicContact CB-CD2 3.65Å; W41-Y44 HydrophobicContact CB-CG 4.21Å; W41-Y44 PolarHBondContact O-N 3.18Å; D42-Y44 VanDerWaalsContact C-N 3.34Å; D42-Y44 WeakPolarHBondContact O-CD2 3.46Å; D42-Y44 PolarHBondContact O-N 2.95Å
45	G	97.3	Very high	95.3	Very high	32 Å²	32	52.5 Å²	52.5	33%	0.33	28%	0.28	S	S	.	.			trans	-75.8	166.7	172.4	0	0	0	0	0	112.6	D47 E48	G45-D47 WeakPolarHBondContact CA-OD1 3.22Å; G45-D47 PolarHBondContact O-N 3.27Å; G45-E48 PolarHBondContact O-N 3.43Å
46	E	97.2	Very high	95.2	Very high	122 Å²	122	56.9 Å²	56.9	57%	0.57	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-72	-19	173.4	-65	-167.6	153.4	0	0	112.8	R24 K40 E48 N49	R24-E46 IonicContact CZ-OE1 3.99Å; R24-E46 IonicContact NH2-OE1 2.76Å; R24-E46 PolarHBondContact NH2-OE1 3.26Å; K40-E46 HydrophobicContact CD-CG 4.17Å; E46-E48 PolarHBondContact O-N 3.21Å; E46-N49 WeakPolarHBondContact CA-OD1 3.24Å; E46-N49 VanDerWaalsContact O-CB 3.3Å; E46-N49 WeakPolarHBondContact O-CB 3.09Å; E46-N49 PolarHBondContact O-N 3.1Å; E46-N49 PolarHBondContact O-ND2 3.4Å; E46-N49 VanDerWaalsContact O-ND2 3.11Å; E46-N49 PolarHBondContact O-OD1 3.22Å
47	D	97.6	Very high	94.9	Very high	141 Å²	141	55.7 Å²	55.7	75%	0.754	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19	171.7	53.3	-50	0	0	0	113.1	G45	G45-D47 WeakPolarHBondContact CA-OD1 3.22Å; G45-D47 PolarHBondContact O-N 3.27Å
48	E	97.6	Very high	94.4	Very high	110 Å²	110	61.1 Å²	61.1	51%	0.514	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-93.9	7.6	174.3	-61.7	-70.7	173.9	0	0	112.2	W41 G45 E46 T50	W41-E48 VanDerWaalsContact CD1-O 3.3Å; G45-E48 PolarHBondContact O-N 3.43Å; E46-E48 PolarHBondContact O-N 3.21Å; E48-T50 PolarHBondContact O-N 3.47Å
49	N	98	Very high	93.9	Very high	32 Å²	32	61 Å²	61	17%	0.171	33%	0.325	C	S	.	.			trans	-63.1	133	177	-69.2	-10.2	0	0	0	110.6	L38 L39 K40 E46	L38-N49 HydrophobicContact CD1-CB 3.67Å; L38-N49 HydrophobicContact CG-CB 4.16Å; L39-N49 VanDerWaalsContact O-CA 3.26Å; L39-N49 WeakPolarHBondContact O-CA 3.37Å; L39-N49 VanDerWaalsContact O-CB 3.29Å; L39-N49 WeakPolarHBondContact O-CB 3.47Å; L39-N49 PolarHBondContact O-OD1 3.4Å; K40-N49 WeakPolarHBondContact CA-OD1 3.27Å; K40-N49 WeakPolarHBondContact CD-OD1 3.41Å; E46-N49 WeakPolarHBondContact CA-OD1 3.24Å; E46-N49 VanDerWaalsContact O-CB 3.3Å; E46-N49 WeakPolarHBondContact O-CB 3.09Å; E46-N49 PolarHBondContact O-N 3.1Å; E46-N49 PolarHBondContact O-ND2 3.4Å; E46-N49 VanDerWaalsContact O-ND2 3.11Å; E46-N49 PolarHBondContact O-OD1 3.22Å
50	T	97.2	Very high	93.3	Very high	53 Å²	53	67.1 Å²	67.1	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.2	177.6	62.2	0	0	0	0	111.7	L38 L39 W41 E48 E52	L38-T50 WeakPolarHBondContact CA-O 3.34Å; L39-T50 PolarHBondContact N-O 3.01Å; W41-T50 VanDerWaalsContact CZ2-OG1 3.24Å; W41-T50 WeakPolarHBondContact CZ2-OG1 3.46Å; W41-T50 PolarHBondContact NE1-OG1 2.61Å; E48-T50 PolarHBondContact O-N 3.47Å; T50-E52 WeakPolarHBondContact CB-OE1 3.43Å; T50-E52 PolarHBondContact OG1-OE1 3.14Å
51	W	97.5	Very high	92.9	Very high	74 Å²	74	74.6 Å²	74.6	28%	0.28	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.3	172.3	-72.3	96.3	0	0	0	108.9	D27 R29 E36 Y37 L38	D27-W51 HydrophobicContact CB-CH2 4.09Å; R29-W51 HydrophobicContact CB-CE3 4.36Å; R29-W51 HydrophobicContact CB-CH2 3.77Å; R29-W51 HydrophobicContact CB-CZ2 4.49Å; R29-W51 HydrophobicContact CB-CZ3 3.72Å; R29-W51 HydrophobicContact CG-CD2 4.05Å; R29-W51 HydrophobicContact CG-CE3 3.52Å; R29-W51 HydrophobicContact CG-CH2 3.79Å; R29-W51 HydrophobicContact CG-CZ2 4.29Å; R29-W51 HydrophobicContact CG-CZ3 3.39Å; R29-W51 VanDerWaalsContact CZ-CD1 3.47Å; R29-W51 VanDerWaalsContact NE-CD2 3.31Å; E36-W51 HydrophobicContact CB-CB 4.47Å; E36-W51 HydrophobicContact CB-CE3 3.99Å; Y37-W51 CarbonylContact O-C 3.53Å; Y37-W51 WeakPolarHBondContact O-CA 3.41Å; L38-W51 HydrophobicContact CB-CD2 3.96Å; L38-W51 HydrophobicContact CB-CE3 3.81Å; L38-W51 HydrophobicContact CB-CH2 3.75Å; L38-W51 HydrophobicContact CB-CZ2 3.88Å; L38-W51 HydrophobicContact CB-CZ3 3.68Å; L38-W51 HydrophobicContact CD1-CD2 4.13Å; L38-W51 HydrophobicContact CD1-CG 4.24Å; L38-W51 HydrophobicContact CD1-CZ2 4.44Å; L38-W51 HydrophobicContact CD2-CZ2 4.15Å; L38-W51 HydrophobicContact CG-CZ2 4.39Å; L38-W51 VanDerWaalsContact N-CE3 3.32Å
52	E	95	Very high	92.8	Very high	45 Å²	45	76.7 Å²	76.7	21%	0.21	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.4	178	-62.7	-53	139.5	0	0	110.8	E36 Y37 L39 W41 T50 N56 L57	E36-E52 CarbonylContact C-O 3.46Å; E36-E52 VanDerWaalsContact CA-O 3.29Å; E36-E52 WeakPolarHBondContact CA-O 3.31Å; Y37-E52 PolarHBondContact N-O 2.84Å; Y37-E52 PolarHBondContact O-N 2.8Å; L39-E52 HydrophobicContact CD1-CB 3.8Å; L39-E52 HydrophobicContact CD1-CG 3.56Å; L39-E52 HydrophobicContact CG-CB 4.31Å; L39-E52 HydrophobicContact CG-CG 4.19Å; W41-E52 HydrophobicContact CH2-CG 3.91Å; W41-E52 HydrophobicContact CZ2-CG 3.67Å; T50-E52 WeakPolarHBondContact CB-OE1 3.43Å; T50-E52 PolarHBondContact OG1-OE1 3.14Å; E52-N56 PolarHBondContact OE2-ND2 3.43Å; E52-L57 HydrophobicContact CB-CD1 3.76Å
53	P	91.9	Very high	92.6	Very high	26 Å²	26	72.4 Å²	72.4	17%	0.169	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	143.3	174.4	29.4	-34.8	0	0	0	109.9	E55 N56 L57	P53-E55 WeakPolarHBondContact CB-OE2 3.17Å; P53-E55 PolarHBondContact O-N 3.27Å; P53-N56 WeakPolarHBondContact CD-ND2 3.43Å; P53-N56 HydrophobicContact CG-CB 4.15Å; P53-N56 WeakPolarHBondContact CG-ND2 3.44Å; P53-N56 WeakPolarHBondContact O-CB 3.33Å; P53-N56 PolarHBondContact O-N 3.18Å; P53-L57 WeakPolarHBondContact O-CD1 3.37Å
54	M	88.9	Confident	92.3	Very high	16 Å²	16	72.2 Å²	72.2	8%	0.079	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-50.3	-34.7	-178.1	-175.7	-87.8	174.1	0	0	112.6	L35 Y37 N56 L57 R149	L35-M54 HydrophobicContact CB-CB 4.38Å; L35-M54 HydrophobicContact CD2-CB 4.49Å; L35-M54 HydrophobicContact CG-CB 4.44Å; L35-M54 PolarHBondContact O-N 3.31Å; Y37-M54 HydrophobicContact CD2-CB 4.29Å; Y37-M54 HydrophobicContact CE2-CB 3.93Å; Y37-M54 HydrophobicContact CE2-CG 3.83Å; M54-N56 PolarHBondContact O-N 3.28Å; M54-L57 PolarHBondContact O-N 2.86Å; M54-L57 VanDerWaalsContact O-N 3.11Å; M54-R149 HydrophobicContact CE-CG 4.47Å; M54-R149 HydrophobicContact SD-CG 3.96Å; M54-R149 PolarHBondContact SD-NE 3.11Å; M54-R149 PolarHBondContact SD-NH2 3.37Å
55	E	85.9	Confident	92.1	Very high	49 Å²	49	73 Å²	73	23%	0.229	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-63.8	-20.2	179.5	-60.6	77.8	-166.6	0	0	114	P53	P53-E55 WeakPolarHBondContact CB-OE2 3.17Å; P53-E55 PolarHBondContact O-N 3.27Å
56	N	87.7	Confident	92	Very high	96 Å²	96	72.2 Å²	72.2	51%	0.513	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-86.5	-10.5	176.1	-72	4.1	0	0	0	113.2	E52 P53 M54	E52-N56 PolarHBondContact OE2-ND2 3.43Å; P53-N56 WeakPolarHBondContact CD-ND2 3.43Å; P53-N56 HydrophobicContact CG-CB 4.15Å; P53-N56 WeakPolarHBondContact CG-ND2 3.44Å; P53-N56 WeakPolarHBondContact O-CB 3.33Å; P53-N56 PolarHBondContact O-N 3.18Å; M54-N56 PolarHBondContact O-N 3.28Å
57	L	89.2	Confident	91.7	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	32%	0.324	C	S	.	.			trans	-96.2	127.5	-171.5	-74	71.8	0	0	0	111.7	Y37 L39 E52 P53 M54 I63	Y37-L57 HydrophobicContact CD2-CD1 4.49Å; Y37-L57 HydrophobicContact CD2-CD2 3.7Å; Y37-L57 HydrophobicContact CG-CD2 4.03Å; L39-L57 HydrophobicContact CD1-CD1 4.44Å; L39-L57 HydrophobicContact CD1-CD2 4.41Å; L39-L57 HydrophobicContact CD1-CG 4.24Å; L39-L57 HydrophobicContact CD2-CD2 4.01Å; E52-L57 HydrophobicContact CB-CD1 3.76Å; P53-L57 WeakPolarHBondContact O-CD1 3.37Å; M54-L57 PolarHBondContact O-N 2.86Å; M54-L57 VanDerWaalsContact O-N 3.11Å; L57-I63 HydrophobicContact CB-CD1 3.84Å; L57-I63 HydrophobicContact CD2-CD1 3.82Å; L57-I63 HydrophobicContact CD2-CG1 3.99Å
58	H	85.2	Confident	91.3	Very high	114 Å²	114	64.4 Å²	64.4	53%	0.528	31%	0.305	S	S	.	.			trans	-103.8	4.8	172.8	-62.9	-84.3	0	0	0	113.4	F60 Q151	H58-F60 PolarHBondContact O-N 3.08Å; H58-Q151 PolarHBondContact CE1-NE2 2.64Å; H58-Q151 PolarHBondContact CE1-OE1 3.47Å; H58-Q151 VanDerWaalsContact CE1-OE1 3.27Å
59	C	87.3	Confident	91	Very high	28 Å²	28	65.2 Å²	65.2	19%	0.189	31%	0.307	C	S	.	.			trans	-93.9	57.4	-176.8	57.6	0	0	0	0	112.8	E61 M62 I63	C59-E61 VanDerWaalsContact C-N 3.28Å; C59-E61 PolarHBondContact O-N 2.96Å; C59-E61 VanDerWaalsContact O-N 3.15Å; C59-M62 HydrophobicContact CB-CB 4.21Å; C59-M62 HydrophobicContact CB-CG 4.26Å; C59-M62 HydrophobicContact CB-SD 4.1Å; C59-M62 WeakPolarHBondContact O-CB 3.35Å; C59-M62 PolarHBondContact O-N 3.47Å; C59-I63 PolarHBondContact O-N 3.06Å; C59-I63 VanDerWaalsContact O-N 3.15Å
60	F	85.8	Confident	90.7	Very high	130 Å²	130	66 Å²	66	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-52.5	-40.3	-173.3	-58.8	-68.2	0	0	0	114.1	H58 M62 I63 E64	H58-F60 PolarHBondContact O-N 3.08Å; F60-M62 VanDerWaalsContact C-N 3.34Å; F60-M62 PolarHBondContact O-N 2.83Å; F60-I63 PolarHBondContact O-N 2.8Å; F60-E64 WeakPolarHBondContact O-CB 3.36Å; F60-E64 PolarHBondContact O-N 2.95Å
61	E	88.8	Confident	90	Very high	169 Å²	169	64 Å²	64	79%	0.79	30%	0.296	S	S	*	.	H	α-helix	trans	-62.9	-38.6	178.3	-65	-173.3	172.2	0	0	112.5	C59 E64 H65	C59-E61 VanDerWaalsContact C-N 3.28Å; C59-E61 PolarHBondContact O-N 2.96Å; C59-E61 VanDerWaalsContact O-N 3.15Å; E61-E64 PolarHBondContact O-N 3.15Å; E61-H65 WeakPolarHBondContact O-CB 3.1Å; E61-H65 PolarHBondContact O-N 2.99Å
62	M	93.2	Very high	89.4	Confident	76 Å²	76	65.3 Å²	65.3	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-41.3	177.6	-66.3	-174.4	178.3	0	0	111.2	V22 I25 C59 F60 E64 H65 F66	V22-M62 HydrophobicContact CB-SD 4.11Å; V22-M62 HydrophobicContact CG1-SD 3.88Å; V22-M62 WeakPolarHBondContact O-CE 3.5Å; I25-M62 HydrophobicContact CD1-CB 4.19Å; I25-M62 HydrophobicContact CG1-CB 4.43Å; C59-M62 HydrophobicContact CB-CB 4.21Å; C59-M62 HydrophobicContact CB-CG 4.26Å; C59-M62 HydrophobicContact CB-SD 4.1Å; C59-M62 WeakPolarHBondContact O-CB 3.35Å; C59-M62 PolarHBondContact O-N 3.47Å; F60-M62 VanDerWaalsContact C-N 3.34Å; F60-M62 PolarHBondContact O-N 2.83Å; M62-E64 VanDerWaalsContact C-N 3.35Å; M62-H65 PolarHBondContact O-N 3.09Å; M62-F66 VanDerWaalsContact O-CB 3.29Å; M62-F66 WeakPolarHBondContact O-CB 3.49Å; M62-F66 PolarHBondContact O-N 3.19Å
63	I	92.1	Very high	89.1	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.036	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-49.5	173.8	-63.9	172.1	0	0	0	109.7	I25 Y37 L57 C59 F60 H65 F66 E67	I25-I63 VanDerWaalsContact CD1-CA 3.46Å; I25-I63 HydrophobicContact CD1-CB 4.12Å; I25-I63 HydrophobicContact CD1-CG1 3.57Å; Y37-I63 HydrophobicContact CE2-CD1 4.5Å; Y37-I63 HydrophobicContact CE2-CG2 4.34Å; Y37-I63 WeakPolarHBondContact OH-CG2 3.44Å; L57-I63 HydrophobicContact CB-CD1 3.84Å; L57-I63 HydrophobicContact CD2-CD1 3.82Å; L57-I63 HydrophobicContact CD2-CG1 3.99Å; C59-I63 PolarHBondContact O-N 3.06Å; C59-I63 VanDerWaalsContact O-N 3.15Å; F60-I63 PolarHBondContact O-N 2.8Å; I63-H65 VanDerWaalsContact C-N 3.35Å; I63-H65 PolarHBondContact O-N 2.71Å; I63-F66 PolarHBondContact O-N 3.22Å; I63-E67 HydrophobicContact CG2-CG 4.22Å; I63-E67 WeakPolarHBondContact O-CB 3.38Å; I63-E67 WeakPolarHBondContact O-CG 3.43Å; I63-E67 PolarHBondContact O-N 2.86Å
64	E	89.2	Confident	88.6	Confident	70 Å²	70	67.8 Å²	67.8	33%	0.327	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-42.8	-177.4	-155.7	-171.4	-176.9	0	0	111.7	F60 E61 M62 R68	F60-E64 WeakPolarHBondContact O-CB 3.36Å; F60-E64 PolarHBondContact O-N 2.95Å; E61-E64 PolarHBondContact O-N 3.15Å; M62-E64 VanDerWaalsContact C-N 3.35Å; E64-R68 VanDerWaalsContact CD-NH1 3.3Å; E64-R68 VanDerWaalsContact CG-CZ 3.47Å; E64-R68 VanDerWaalsContact CG-NH2 3.31Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 3.33Å; E64-R68 IonicContact OE1-CZ 3.1Å; E64-R68 IonicContact OE1-NH1 2.94Å; E64-R68 PolarHBondContact OE1-NH1 2.87Å; E64-R68 IonicContact OE1-NH2 3.47Å; E64-R68 PolarHBondContact OE1-NH2 3.24Å; E64-R68 IonicContact OE2-CZ 3.15Å; E64-R68 IonicContact OE2-NH1 3.44Å; E64-R68 IonicContact OE2-NH2 2.89Å; E64-R68 PolarHBondContact OE2-NH2 3.32Å
65	H	91.2	Very high	88.1	Confident	134 Å²	134	71.8 Å²	71.8	62%	0.62	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-46	175.2	-173.5	78.6	0	0	0	112.2	E61 M62 I63 R68 K69	E61-H65 WeakPolarHBondContact O-CB 3.1Å; E61-H65 PolarHBondContact O-N 2.99Å; M62-H65 PolarHBondContact O-N 3.09Å; I63-H65 VanDerWaalsContact C-N 3.35Å; I63-H65 PolarHBondContact O-N 2.71Å; H65-R68 PolarHBondContact O-N 2.84Å; H65-K69 PolarHBondContact O-N 2.92Å
66	F	94.5	Very high	87.9	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.075	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-47.8	177.8	171.1	-93.6	0	0	0	111.8	I25 R28 Y37 M62 I63 K69 K70	I25-F66 HydrophobicContact CB-CB 4.06Å; I25-F66 HydrophobicContact CB-CD2 3.91Å; I25-F66 HydrophobicContact CB-CG 3.96Å; I25-F66 HydrophobicContact CD1-CB 4.18Å; I25-F66 HydrophobicContact CG2-CB 4.15Å; I25-F66 HydrophobicContact CG2-CD1 3.86Å; I25-F66 HydrophobicContact CG2-CD2 3.49Å; I25-F66 VanDerWaalsContact CG2-CD2 3.49Å; I25-F66 HydrophobicContact CG2-CE1 4.11Å; I25-F66 HydrophobicContact CG2-CE2 3.76Å; I25-F66 HydrophobicContact CG2-CG 3.54Å; I25-F66 HydrophobicContact CG2-CZ 4.06Å; R28-F66 HydrophobicContact CB-CE1 3.89Å; R28-F66 HydrophobicContact CB-CZ 4.17Å; R28-F66 HydrophobicContact CG-CE1 3.83Å; R28-F66 HydrophobicContact CG-CZ 4.12Å; Y37-F66 HydrophobicContact CD1-CD1 4.26Å; Y37-F66 HydrophobicContact CD1-CE1 4.12Å; Y37-F66 AromaticContact CE1-CD1 3.81Å; Y37-F66 HydrophobicContact CE1-CD1 3.81Å; Y37-F66 AromaticContact CE1-CE1 3.81Å; Y37-F66 HydrophobicContact CE1-CE1 3.81Å; M62-F66 VanDerWaalsContact O-CB 3.29Å; M62-F66 WeakPolarHBondContact O-CB 3.49Å; M62-F66 PolarHBondContact O-N 3.19Å; I63-F66 PolarHBondContact O-N 3.22Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 3.43Å; F66-K70 HydrophobicContact CD1-CG 4.33Å; F66-K70 HydrophobicContact CE1-CG 3.8Å; F66-K70 HydrophobicContact CE2-CG 4.17Å; F66-K70 HydrophobicContact CZ-CD 4.18Å; F66-K70 HydrophobicContact CZ-CG 3.72Å; F66-K70 PolarHBondContact O-N 2.94Å
67	E	91.7	Very high	87.6	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-37.2	-179.5	-69.5	-65.1	173.9	0	0	112.1	R28 Y37 I63 K69 K70 L71 L108	R28-E67 VanDerWaalsContact CD-OE1 3.24Å; R28-E67 WeakPolarHBondContact CD-OE1 3.44Å; R28-E67 IonicContact CZ-OE2 3.41Å; R28-E67 IonicContact NE-OE1 2.72Å; R28-E67 PolarHBondContact NE-OE1 3.15Å; R28-E67 IonicContact NE-OE2 3.15Å; R28-E67 PolarHBondContact NE-OE2 3.48Å; R28-E67 VanDerWaalsContact NE-OE2 3.1Å; R28-E67 IonicContact NH2-OE2 2.72Å; R28-E67 PolarHBondContact NH2-OE2 3.29Å; Y37-E67 WeakPolarHBondContact CE1-OE1 3.48Å; Y37-E67 PolarHBondContact OH-OE1 3.18Å; I63-E67 HydrophobicContact CG2-CG 4.22Å; I63-E67 WeakPolarHBondContact O-CB 3.38Å; I63-E67 WeakPolarHBondContact O-CG 3.43Å; I63-E67 PolarHBondContact O-N 2.86Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.11Å; E67-K70 PolarHBondContact O-N 3.41Å; E67-L71 WeakPolarHBondContact O-CB 3.27Å; E67-L71 PolarHBondContact O-N 3.03Å; E67-L108 HydrophobicContact CB-CD1 4.25Å; E67-L108 HydrophobicContact CB-CD2 3.43Å; E67-L108 VanDerWaalsContact CB-CD2 3.43Å; E67-L108 HydrophobicContact CB-CG 4.32Å; E67-L108 HydrophobicContact CG-CD2 4.38Å
68	R	89.3	Confident	86.8	Confident	96 Å²	96	78.3 Å²	78.3	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-39.8	172.1	-82.6	-164.5	-95.5	-98.8	7.8	112.2	E64 H65 L71 V72 M109	E64-R68 VanDerWaalsContact CD-NH1 3.3Å; E64-R68 VanDerWaalsContact CG-CZ 3.47Å; E64-R68 VanDerWaalsContact CG-NH2 3.31Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 3.33Å; E64-R68 IonicContact OE1-CZ 3.1Å; E64-R68 IonicContact OE1-NH1 2.94Å; E64-R68 PolarHBondContact OE1-NH1 2.87Å; E64-R68 IonicContact OE1-NH2 3.47Å; E64-R68 PolarHBondContact OE1-NH2 3.24Å; E64-R68 IonicContact OE2-CZ 3.15Å; E64-R68 IonicContact OE2-NH1 3.44Å; E64-R68 IonicContact OE2-NH2 2.89Å; E64-R68 PolarHBondContact OE2-NH2 3.32Å; H65-R68 PolarHBondContact O-N 2.84Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 3.36Å; R68-V72 PolarHBondContact O-N 3.12Å; R68-M109 PolarHBondContact NH1-O 2.86Å; R68-M109 VanDerWaalsContact NH1-O 3.11Å
69	K	91.4	Very high	86	Confident	127 Å²	127	76.4 Å²	76.4	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-64.4	-48.6	174.3	-177.5	-177.7	174.2	-175.2	0	111.6	H65 F66 E67 L71 V72 E73	H65-K69 PolarHBondContact O-N 2.92Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 3.43Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.11Å; K69-L71 PolarHBondContact O-N 3.24Å; K69-V72 PolarHBondContact O-N 3.47Å; K69-E73 PolarHBondContact O-N 3.28Å
70	K	90.8	Very high	85.1	Confident	49 Å²	49	82.9 Å²	82.9	21%	0.213	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-32.5	176.5	-72.6	-66.3	-168.2	170.6	0	112.2	D27 F66 E67 E73 L74	D27-K70 WeakPolarHBondContact OD1-CE 3.37Å; D27-K70 IonicContact OD1-NZ 3.68Å; D27-K70 PolarHBondContact OD1-NZ 2.73Å; F66-K70 HydrophobicContact CD1-CG 4.33Å; F66-K70 HydrophobicContact CE1-CG 3.8Å; F66-K70 HydrophobicContact CE2-CG 4.17Å; F66-K70 HydrophobicContact CZ-CD 4.18Å; F66-K70 HydrophobicContact CZ-CG 3.72Å; F66-K70 PolarHBondContact O-N 2.94Å; E67-K70 PolarHBondContact O-N 3.41Å; K70-E73 WeakPolarHBondContact CD-OE2 3Å; K70-E73 WeakPolarHBondContact O-CB 3.47Å; K70-E73 PolarHBondContact O-N 2.83Å; K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 2.92Å
71	L	83.8	Confident	84.1	Confident	11 Å²	11	81 Å²	81	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-49.2	175.1	159.9	51.7	0	0	0	111.6	E67 R68 K69 E73 L74 M75 V110 L128	E67-L71 WeakPolarHBondContact O-CB 3.27Å; E67-L71 PolarHBondContact O-N 3.03Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 3.36Å; K69-L71 PolarHBondContact O-N 3.24Å; L71-E73 PolarHBondContact O-N 2.88Å; L71-L74 PolarHBondContact O-N 3.01Å; L71-L74 VanDerWaalsContact O-N 3.09Å; L71-M75 HydrophobicContact CD1-CE 3.39Å; L71-M75 HydrophobicContact CD1-CG 3.74Å; L71-M75 HydrophobicContact CD1-SD 3.58Å; L71-M75 VanDerWaalsContact CD1-SD 3.58Å; L71-M75 HydrophobicContact CG-CE 4.32Å; L71-M75 HydrophobicContact CG-SD 4.3Å; L71-M75 PolarHBondContact O-N 2.9Å; L71-V110 HydrophobicContact CD2-CG2 3.57Å; L71-L128 HydrophobicContact CB-CD1 4.26Å; L71-L128 HydrophobicContact CD1-CD1 3.03Å; L71-L128 HydrophobicContact CD1-CG 4.49Å; L71-L128 HydrophobicContact CD2-CD1 3.98Å; L71-L128 HydrophobicContact CG-CD1 3.92Å
72	V	85.4	Confident	82.8	Confident	101 Å²	101	76.2 Å²	76.2	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-57.6	-40.3	175.7	174.6	0	0	0	0	110.8	R68 K69 A76	R68-V72 PolarHBondContact O-N 3.12Å; K69-V72 PolarHBondContact O-N 3.47Å; V72-A76 VanDerWaalsContact O-CB 3.27Å; V72-A76 WeakPolarHBondContact O-CB 3.29Å; V72-A76 PolarHBondContact O-N 2.5Å
73	E	88.5	Confident	81.2	Confident	87 Å²	87	78.1 Å²	78.1	41%	0.407	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.5	-65.9	172.7	-170.5	0	0	112.6	K69 K70 L71 A76 R77	K69-E73 PolarHBondContact O-N 3.28Å; K70-E73 WeakPolarHBondContact CD-OE2 3Å; K70-E73 WeakPolarHBondContact O-CB 3.47Å; K70-E73 PolarHBondContact O-N 2.83Å; L71-E73 PolarHBondContact O-N 2.88Å; E73-A76 PolarHBondContact O-N 2.93Å; E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 VanDerWaalsContact O-N 3.1Å
74	L	81.4	Confident	79.7	Confident	36 Å²	36	78.2 Å²	78.2	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-51.3	176.4	-77.2	168.2	0	0	0	111.5	K70 L71 A76 R77 E78 V126	K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 2.92Å; L71-L74 PolarHBondContact O-N 3.01Å; L71-L74 VanDerWaalsContact O-N 3.09Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.47Å; L74-R77 WeakPolarHBondContact O-CA 3.45Å; L74-R77 WeakPolarHBondContact O-CB 3.08Å; L74-R77 PolarHBondContact O-N 3.05Å; L74-E78 PolarHBondContact O-N 2.92Å; L74-V126 HydrophobicContact CD1-CG2 4.15Å
75	M	77.2	Confident	78.5	Confident	100 Å²	100	86.8 Å²	86.8	49%	0.493	41%	0.413	S	S	.	.	H	α-helix	trans	-58.8	-40.7	177.1	-78.8	174.4	174	0	0	111.9	L71 R77 E78 S79	L71-M75 HydrophobicContact CD1-CE 3.39Å; L71-M75 HydrophobicContact CD1-CG 3.74Å; L71-M75 HydrophobicContact CD1-SD 3.58Å; L71-M75 VanDerWaalsContact CD1-SD 3.58Å; L71-M75 HydrophobicContact CG-CE 4.32Å; L71-M75 HydrophobicContact CG-SD 4.3Å; L71-M75 PolarHBondContact O-N 2.9Å; M75-R77 VanDerWaalsContact C-N 3.27Å; M75-R77 PolarHBondContact O-N 3.45Å; M75-E78 PolarHBondContact O-N 3.01Å; M75-S79 WeakPolarHBondContact O-CB 3.07Å; M75-S79 PolarHBondContact O-N 2.77Å
76	A	82.9	Confident	77.6	Confident	49 Å²	49	86.3 Å²	86.3	41%	0.405	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-31.5	176.3	0	0	0	0	0	112.7	V72 E73 L74 K80	V72-A76 VanDerWaalsContact O-CB 3.27Å; V72-A76 WeakPolarHBondContact O-CB 3.29Å; V72-A76 PolarHBondContact O-N 2.5Å; E73-A76 PolarHBondContact O-N 2.93Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.47Å; A76-K80 WeakPolarHBondContact O-CD 3.29Å; A76-K80 VanDerWaalsContact O-CG 3.3Å; A76-K80 WeakPolarHBondContact O-CG 3.35Å
77	R	80.4	Confident	76.1	Confident	173 Å²	173	88.1 Å²	88.1	65%	0.653	44%	0.438	S	S	*	.	H	α-helix	trans	-76.3	-43.3	174.7	-70.5	172	79.2	175.1	4.7	111.6	E73 L74 M75 K80 N81	E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 VanDerWaalsContact O-N 3.1Å; L74-R77 WeakPolarHBondContact O-CA 3.45Å; L74-R77 WeakPolarHBondContact O-CB 3.08Å; L74-R77 PolarHBondContact O-N 3.05Å; M75-R77 VanDerWaalsContact C-N 3.27Å; M75-R77 PolarHBondContact O-N 3.45Å; R77-K80 WeakPolarHBondContact O-CB 3.4Å; R77-K80 PolarHBondContact O-N 3.08Å; R77-N81 PolarHBondContact O-N 2.97Å; R77-N81 PolarHBondContact O-ND2 2.67Å
78	E	72.5	Confident	74.3	Confident	69 Å²	69	93.8 Å²	93.8	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-43	178.7	-73.2	-175.3	163.4	0	0	112	L74 M75 K80 N81 L82	L74-E78 PolarHBondContact O-N 2.92Å; M75-E78 PolarHBondContact O-N 3.01Å; E78-K80 PolarHBondContact O-N 2.9Å; E78-N81 CarbonylContact O-C 3.52Å; E78-N81 WeakPolarHBondContact O-CA 3.14Å; E78-N81 PolarHBondContact O-N 3.18Å; E78-L82 WeakPolarHBondContact O-CB 3.37Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 2.78Å
79	S	69.3	Low	73	Confident	73 Å²	73	95 Å²	95	51%	0.51	49%	0.486	S	S	.	.	H	α-helix	trans	-56.7	-37.4	175.2	-168.6	0	0	0	0	112.5	M75 N81	M75-S79 WeakPolarHBondContact O-CB 3.07Å; M75-S79 PolarHBondContact O-N 2.77Å; S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 2.92Å
80	K	68.7	Low	71.4	Confident	164 Å²	164	97.7 Å²	97.7	71%	0.713	49%	0.493	S	S	*	.	H	α-helix	trans	-68.6	-27.8	174.1	-70.6	172.8	-175.5	178.9	0	113.3	A76 R77 E78	A76-K80 WeakPolarHBondContact O-CD 3.29Å; A76-K80 VanDerWaalsContact O-CG 3.3Å; A76-K80 WeakPolarHBondContact O-CG 3.35Å; R77-K80 WeakPolarHBondContact O-CB 3.4Å; R77-K80 PolarHBondContact O-N 3.08Å; E78-K80 PolarHBondContact O-N 2.9Å
81	N	63.6	Low	69.9	Low	90 Å²	90	99.2 Å²	99.2	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-91.5	-22.1	-179.9	-67	-26.2	0	0	0	113	R77 E78 S79 I83 M91	R77-N81 PolarHBondContact O-N 2.97Å; R77-N81 PolarHBondContact O-ND2 2.67Å; E78-N81 CarbonylContact O-C 3.52Å; E78-N81 WeakPolarHBondContact O-CA 3.14Å; E78-N81 PolarHBondContact O-N 3.18Å; S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 2.92Å; N81-I83 VanDerWaalsContact C-N 3.33Å; N81-I83 PolarHBondContact O-N 3.06Å; N81-M91 HydrophobicContact CB-CE 3.63Å; N81-M91 HydrophobicContact CB-SD 4.03Å
82	L	62.1	Low	68.9	Low	69 Å²	69	103.8 Å²	103.8	36%	0.361	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-34.2	-179.3	-84.7	160.8	0	0	0	112.1	E78 V89 R90 M91	E78-L82 WeakPolarHBondContact O-CB 3.37Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 2.78Å; L82-V89 HydrophobicContact CD2-CG1 4.39Å; L82-V89 CarbonylContact O-C 3.49Å; L82-V89 VanDerWaalsContact O-CA 3.25Å; L82-V89 WeakPolarHBondContact O-CA 3.48Å; L82-R90 PolarHBondContact O-N 3.3Å; L82-M91 HydrophobicContact CD2-CB 4.31Å; L82-M91 WeakPolarHBondContact CD2-O 3.35Å
83	I	59.4	Low	68.4	Low	116 Å²	116	100.4 Å²	100.4	60%	0.595	51%	0.505	S	S	*	.	B	Isolated β-bridge	trans	-96.8	106.2	178.2	-54.7	178.3	0	0	0	108.7	N81	N81-I83 VanDerWaalsContact C-N 3.33Å; N81-I83 PolarHBondContact O-N 3.06Å
84	G	60	Low	67.9	Low	9 Å²	9	98.5 Å²	98.5	9%	0.093	50%	0.496	C	S	.	.			trans	-61.5	157.7	169.5	0	0	0	0	0	111	D86 G87 N88	G84-D86 PolarHBondContact O-N 3.27Å; G84-G87 PolarHBondContact O-N 3.15Å; G84-N88 PolarHBondContact N-O 3.42Å
85	R	64.9	Low	67.7	Low	250 Å²	250	98.7 Å²	98.7	94%	0.943	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-24.6	174.7	-86.1	-177.5	173.3	152.3	-1.1	113.8	G87	R85-G87 VanDerWaalsContact C-N 3.31Å
86	D	72.5	Confident	67.7	Low	125 Å²	125	99.3 Å²	99.3	67%	0.668	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	5.4	-174.6	-36.1	-22.8	0	0	0	111.5	G84 N88	G84-D86 PolarHBondContact O-N 3.27Å; D86-N88 PolarHBondContact O-N 2.74Å
87	G	62.8	Low	67.7	Low	55 Å²	55	101.9 Å²	101.9	57%	0.567	50%	0.5	S	S	*	.	S	Bend	trans	79.5	-9	-177.4	0	0	0	0	0	114.8	G84 R85	G84-G87 PolarHBondContact O-N 3.15Å; R85-G87 VanDerWaalsContact C-N 3.31Å
88	N	54.3	Low	67.9	Low	120 Å²	120	96.7 Å²	96.7	64%	0.642	50%	0.501	S	S	*	.	S	Bend	trans	-77	139.5	178.1	-81.9	-22.1	0	0	0	112.1	G84 D86 R90	G84-N88 PolarHBondContact N-O 3.42Å; D86-N88 PolarHBondContact O-N 2.74Å; N88-R90 PolarHBondContact O-N 2.88Å; N88-R90 VanDerWaalsContact O-N 3.09Å
89	V	60.8	Low	68.5	Low	122 Å²	122	97.2 Å²	97.2	74%	0.739	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-61.4	110.5	170	-178.6	0	0	0	0	107.8	L82	L82-V89 HydrophobicContact CD2-CG1 4.39Å; L82-V89 CarbonylContact O-C 3.49Å; L82-V89 VanDerWaalsContact O-CA 3.25Å; L82-V89 WeakPolarHBondContact O-CA 3.48Å
90	R	57.7	Low	69.5	Low	183 Å²	183	98.7 Å²	98.7	69%	0.691	50%	0.504	S	S	*	.			trans	-104.8	-13.1	-166.8	-157.6	173.7	176.8	158.6	0.7	113.9	L82 N88	L82-R90 PolarHBondContact O-N 3.3Å; N88-R90 PolarHBondContact O-N 2.88Å; N88-R90 VanDerWaalsContact O-N 3.09Å
91	M	60.1	Low	70.7	Confident	82 Å²	82	91.1 Å²	91.1	40%	0.404	47%	0.472	S	S	.	.			trans	-125.2	98.2	-169.6	-151.9	130.8	113.3	0	0	110.9	N81 L82	N81-M91 HydrophobicContact CB-CE 3.63Å; N81-M91 HydrophobicContact CB-SD 4.03Å; L82-M91 HydrophobicContact CD2-CB 4.31Å; L82-M91 WeakPolarHBondContact CD2-O 3.35Å
92	M	62.9	Low	72.1	Confident	107 Å²	107	89.5 Å²	89.5	53%	0.527	46%	0.461	S	S	.	.			trans	-67.3	143.8	158.8	-71.6	-148.6	-51.4	0	0	108.6	E96 Q97	M92-E96 VanDerWaalsContact CA-OE2 3.29Å; M92-E96 WeakPolarHBondContact CA-OE2 3.37Å; M92-E96 HydrophobicContact CB-CB 3.93Å; M92-E96 WeakPolarHBondContact CB-OE2 3.24Å; M92-E96 HydrophobicContact CE-CB 4.23Å; M92-E96 HydrophobicContact SD-CB 4.09Å; M92-Q97 HydrophobicContact CB-CG 4.09Å; M92-Q97 HydrophobicContact CE-CG 4.49Å; M92-Q97 PolarHBondContact O-NE2 3.1Å
93	S	74.1	Confident	73.6	Confident	30 Å²	30	86.7 Å²	86.7	21%	0.21	45%	0.448	C	S	.	.			trans	-53.1	150.4	171.3	153.3	0	0	0	0	110.5	F95 E96 Q97 E127	S93-F95 PolarHBondContact O-N 2.89Å; S93-F95 WeakPolarHBondContact OG-CB 3.31Å; S93-F95 PolarHBondContact OG-N 3.15Å; S93-E96 PolarHBondContact N-OE2 2.59Å; S93-E96 WeakPolarHBondContact O-CB 3.12Å; S93-E96 PolarHBondContact O-N 2.81Å; S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-N 2.69Å; S93-E127 WeakPolarHBondContact CB-OE1 3.45Å; S93-E127 PolarHBondContact OG-OE1 2.78Å
94	K	78.3	Confident	75.3	Confident	47 Å²	47	81.7 Å²	81.7	20%	0.204	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.5	177.4	-73.5	177.4	178.2	178	0	111.8	Q97 G98 F99 F120 S123 T125 E127	K94-Q97 PolarHBondContact O-N 3.11Å; K94-G98 PolarHBondContact O-N 3.47Å; K94-F99 HydrophobicContact CB-CB 4.37Å; K94-F99 HydrophobicContact CB-CD2 4.32Å; K94-F99 HydrophobicContact CB-CG 4.44Å; K94-F99 PolarHBondContact O-N 2.76Å; K94-F99 VanDerWaalsContact O-N 3.14Å; K94-F120 HydrophobicContact CB-CD1 4.33Å; K94-F120 HydrophobicContact CB-CD2 3.54Å; K94-F120 HydrophobicContact CB-CE1 4.49Å; K94-F120 HydrophobicContact CB-CE2 3.71Å; K94-F120 HydrophobicContact CB-CG 3.87Å; K94-F120 HydrophobicContact CB-CZ 4.21Å; K94-F120 HydrophobicContact CD-CB 4.35Å; K94-F120 HydrophobicContact CD-CD2 4.02Å; K94-F120 HydrophobicContact CD-CG 4.42Å; K94-F120 HydrophobicContact CG-CD2 4.39Å; K94-S123 PolarHBondContact NZ-OG 3.05Å; K94-T125 PolarHBondContact NZ-OG1 2.95Å; K94-E127 WeakPolarHBondContact CB-OE2 3.44Å; K94-E127 PolarHBondContact N-OE2 3.32Å
95	F	77	Confident	76.8	Confident	40 Å²	40	81.4 Å²	81.4	18%	0.175	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-46	169.3	162.7	-94.5	0	0	0	111.9	S93 Q97 G98 F120 I133 K137 W138	S93-F95 PolarHBondContact O-N 2.89Å; S93-F95 WeakPolarHBondContact OG-CB 3.31Å; S93-F95 PolarHBondContact OG-N 3.15Å; F95-Q97 VanDerWaalsContact C-N 3.29Å; F95-Q97 PolarHBondContact O-N 3.05Å; F95-G98 PolarHBondContact O-N 3.31Å; F95-G98 VanDerWaalsContact O-N 3.15Å; F95-F120 HydrophobicContact CB-CE1 4.34Å; F95-F120 HydrophobicContact CB-CZ 3.85Å; F95-I133 HydrophobicContact CD2-CG2 3.82Å; F95-I133 HydrophobicContact CE1-CG2 4.15Å; F95-I133 HydrophobicContact CE2-CG2 3.06Å; F95-I133 HydrophobicContact CZ-CG2 3.28Å; F95-K137 HydrophobicContact CD2-CD 4.39Å; F95-K137 HydrophobicContact CE2-CD 3.51Å; F95-K137 HydrophobicContact CE2-CG 4.3Å; F95-K137 HydrophobicContact CZ-CD 4.22Å; F95-K137 VanDerWaalsContact CZ-CE 3.47Å; F95-W138 AromaticContact CD2-CH2 3.65Å; F95-W138 HydrophobicContact CD2-CH2 3.65Å; F95-W138 AromaticContact CD2-CZ3 3.79Å; F95-W138 HydrophobicContact CD2-CZ3 3.79Å; F95-W138 HydrophobicContact CE2-CH2 4.24Å; F95-W138 HydrophobicContact CE2-CZ3 4.2Å
96	E	78.3	Confident	78	Confident	112 Å²	112	70.1 Å²	70.1	52%	0.523	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.7	178.7	-66.7	177.5	142.1	0	0	112.3	M92 S93 G98	M92-E96 VanDerWaalsContact CA-OE2 3.29Å; M92-E96 WeakPolarHBondContact CA-OE2 3.37Å; M92-E96 HydrophobicContact CB-CB 3.93Å; M92-E96 WeakPolarHBondContact CB-OE2 3.24Å; M92-E96 HydrophobicContact CE-CB 4.23Å; M92-E96 HydrophobicContact SD-CB 4.09Å; S93-E96 PolarHBondContact N-OE2 2.59Å; S93-E96 WeakPolarHBondContact O-CB 3.12Å; S93-E96 PolarHBondContact O-N 2.81Å; E96-G98 PolarHBondContact O-N 3.41Å
97	Q	83	Confident	79	Confident	103 Å²	103	65.7 Å²	65.7	48%	0.481	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.5	173.1	-65.7	177	56.9	0	0	113.3	M92 S93 K94 F95 F99	M92-Q97 HydrophobicContact CB-CG 4.09Å; M92-Q97 HydrophobicContact CE-CG 4.49Å; M92-Q97 PolarHBondContact O-NE2 3.1Å; S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-N 2.69Å; K94-Q97 PolarHBondContact O-N 3.11Å; F95-Q97 VanDerWaalsContact C-N 3.29Å; F95-Q97 PolarHBondContact O-N 3.05Å; Q97-F99 HydrophobicContact CB-CD2 3.73Å; Q97-F99 HydrophobicContact CB-CE2 3.86Å
98	G	83.4	Confident	80.3	Confident	65 Å²	65	63.3 Å²	63.3	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	21.6	177	0	0	0	0	0	114.6	K94 F95 E96	K94-G98 PolarHBondContact O-N 3.47Å; F95-G98 PolarHBondContact O-N 3.31Å; F95-G98 VanDerWaalsContact O-N 3.15Å; E96-G98 PolarHBondContact O-N 3.41Å
99	F	86.4	Confident	82	Confident	79 Å²	79	62.9 Å²	62.9	35%	0.346	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.4	172.4	-78.5	-106.1	0	0	0	110.8	K94 Q97 F120	K94-F99 HydrophobicContact CB-CB 4.37Å; K94-F99 HydrophobicContact CB-CD2 4.32Å; K94-F99 HydrophobicContact CB-CG 4.44Å; K94-F99 PolarHBondContact O-N 2.76Å; K94-F99 VanDerWaalsContact O-N 3.14Å; Q97-F99 HydrophobicContact CB-CD2 3.73Å; Q97-F99 HydrophobicContact CB-CE2 3.86Å; F99-F120 HydrophobicContact CB-CB 4.07Å; F99-F120 HydrophobicContact CB-CD1 3.63Å; F99-F120 HydrophobicContact CB-CE1 4.42Å; F99-F120 HydrophobicContact CB-CG 4.07Å; F99-F120 WeakPolarHBondContact O-CD1 3.34Å
100	D	90.3	Very high	83.2	Confident	104 Å²	104	58.7 Å²	58.7	56%	0.556	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-73.7	142.5	171.7	-92.5	-26.9	0	0	0	111.5	R121	D100-R121 WeakPolarHBondContact O-CB 3.49Å; D100-R121 PolarHBondContact O-N 2.82Å
101	L	93.2	Very high	84.6	Confident	6 Å²	6	58 Å²	58	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.6	173.8	-171.8	65.3	0	0	0	110.1	V104 V118 K119 V134 W138 L141	L101-V104 HydrophobicContact CD2-CG2 3.85Å; L101-V118 HydrophobicContact CD1-CB 3.37Å; L101-V118 HydrophobicContact CD1-CG1 3.54Å; L101-V118 HydrophobicContact CD1-CG2 4.29Å; L101-V118 HydrophobicContact CD2-CG1 4.24Å; L101-K119 WeakPolarHBondContact CD1-O 3.25Å; L101-V134 HydrophobicContact CD2-CG1 3.89Å; L101-W138 HydrophobicContact CB-CB 4.49Å; L101-W138 HydrophobicContact CB-CD2 3.53Å; L101-W138 HydrophobicContact CB-CE3 4.04Å; L101-W138 HydrophobicContact CB-CG 3.73Å; L101-W138 HydrophobicContact CB-CH2 4.47Å; L101-W138 HydrophobicContact CB-CZ2 4.06Å; L101-W138 HydrophobicContact CB-CZ3 4.48Å; L101-W138 HydrophobicContact CD2-CB 3.79Å; L101-W138 HydrophobicContact CD2-CD2 3.88Å; L101-W138 HydrophobicContact CD2-CE3 3.87Å; L101-W138 HydrophobicContact CD2-CG 3.87Å; L101-W138 HydrophobicContact CG-CD2 4.33Å; L101-W138 HydrophobicContact CG-CG 4.44Å; L101-L141 HydrophobicContact CB-CD1 3.73Å; L101-L141 HydrophobicContact CD2-CB 4.28Å; L101-L141 HydrophobicContact CD2-CD1 3.73Å; L101-L141 HydrophobicContact CG-CD1 3.66Å; L101-L141 WeakPolarHBondContact O-CD1 3.27Å
102	E	93.3	Very high	86	Confident	55 Å²	55	57.4 Å²	57.4	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-47.2	172.5	-172.5	-177.1	142.1	0	0	110.8	K119 R121	E102-K119 WeakPolarHBondContact CA-O 3.45Å; E102-K119 HydrophobicContact CB-CG 4.46Å; E102-K119 WeakPolarHBondContact CB-O 3.4Å; E102-K119 PolarHBondContact N-O 2.86Å; E102-K119 IonicContact OE1-NZ 2.61Å; E102-K119 PolarHBondContact OE1-NZ 2.94Å; E102-K119 WeakPolarHBondContact OE2-CE 3.29Å; E102-K119 IonicContact OE2-NZ 2.71Å; E102-K119 PolarHBondContact OE2-NZ 2.86Å; E102-R121 HydrophobicContact CB-CB 4.36Å
103	A	93	Very high	87.4	Confident	11 Å²	11	58.6 Å²	58.6	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	146	-179.3	0	0	0	0	0	112.1	L105 K119	A103-L105 HydrophobicContact CB-CD2 3.98Å; A103-K119 PolarHBondContact N-O 3.43Å; A103-K119 PolarHBondContact O-N 3.45Å
104	V	94.2	Very high	88.3	Confident	10 Å²	10	60.3 Å²	60.3	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123	157.5	178.6	0	0	0	0	107	L101 H116 V118 V134 L141 V142 F145	L101-V104 HydrophobicContact CD2-CG2 3.85Å; V104-H116 HydrophobicContact CG1-CB 4.15Å; V104-H116 WeakPolarHBondContact CG1-CD2 3.39Å; V104-V118 HydrophobicContact CG2-CG1 4.43Å; V104-V134 HydrophobicContact CG2-CG1 3.84Å; V104-L141 HydrophobicContact CG2-CB 4.42Å; V104-V142 HydrophobicContact CG2-CG2 4.25Å; V104-F145 HydrophobicContact CB-CB 3.8Å; V104-F145 HydrophobicContact CB-CD2 4.16Å; V104-F145 HydrophobicContact CB-CG 3.97Å; V104-F145 HydrophobicContact CG1-CB 3.94Å; V104-F145 HydrophobicContact CG1-CD1 3.97Å; V104-F145 HydrophobicContact CG1-CD2 3.72Å; V104-F145 HydrophobicContact CG1-CE1 4.48Å; V104-F145 HydrophobicContact CG1-CE2 4.22Å; V104-F145 HydrophobicContact CG1-CG 3.57Å; V104-F145 VanDerWaalsContact O-CD2 3.24Å; V104-F145 WeakPolarHBondContact O-CD2 3.3Å
105	L	91.6	Very high	89	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-39.3	-172.1	-59	174.3	0	0	0	112.6	I30 L35 A103 L117 K119 V126 F145 R149	I30-L105 HydrophobicContact CD1-CD1 3.36Å; I30-L105 HydrophobicContact CD1-CD2 4.24Å; I30-L105 HydrophobicContact CD1-CG 4.44Å; I30-L105 HydrophobicContact CG1-CD1 4Å; I30-L105 HydrophobicContact CG1-CD2 4.34Å; I30-L105 HydrophobicContact CG2-CD2 4.5Å; L35-L105 HydrophobicContact CD2-CB 4.32Å; L35-L105 VanDerWaalsContact CD2-O 3.27Å; L35-L105 WeakPolarHBondContact CD2-O 3.41Å; A103-L105 HydrophobicContact CB-CD2 3.98Å; L105-L117 HydrophobicContact CB-CG 4.45Å; L105-L117 WeakPolarHBondContact CB-O 3.42Å; L105-L117 PolarHBondContact N-O 2.9Å; L105-K119 HydrophobicContact CD1-CB 4.12Å; L105-K119 HydrophobicContact CG-CB 4.44Å; L105-V126 HydrophobicContact CD1-CB 4.46Å; L105-V126 HydrophobicContact CD1-CG1 3.42Å; L105-V126 VanDerWaalsContact CD1-CG1 3.42Å; L105-F145 WeakPolarHBondContact O-CE2 3.1Å; L105-R149 PolarHBondContact O-NH2 3.46Å; L105-R149 VanDerWaalsContact O-NH2 3.12Å
106	N	91.6	Very high	89.8	Confident	13 Å²	13	57 Å²	57	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	169.5	-179.2	-151.4	-8.5	0	0	0	111.3	L35 Y37 L117	L35-N106 HydrophobicContact CD2-CB 4.14Å; Y37-N106 PolarHBondContact OH-ND2 2.91Å; N106-L117 HydrophobicContact CB-CB 4.08Å; N106-L117 HydrophobicContact CB-CD2 3.91Å; N106-L117 PolarHBondContact N-O 3.09Å; N106-L117 PolarHBondContact O-N 2.88Å
107	V	92.8	Very high	90.4	Very high	33 Å²	33	51.7 Å²	51.7	20%	0.2	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139	176.3	177.7	0	0	0	0	109.2	L114 L115 H116 F145 Y146	V107-L114 HydrophobicContact CG1-CD1 3.25Å; V107-L114 HydrophobicContact CG1-CD2 4.21Å; V107-L114 HydrophobicContact CG1-CG 3.7Å; V107-L115 CarbonylContact C-O 3.6Å; V107-L115 WeakPolarHBondContact CA-O 3.23Å; V107-H116 VanDerWaalsContact CG2-CD2 3.41Å; V107-H116 WeakPolarHBondContact CG2-CD2 3.42Å; V107-F145 HydrophobicContact CB-CE1 4.47Å; V107-F145 HydrophobicContact CB-CZ 4.39Å; V107-F145 HydrophobicContact CG2-CD1 4.28Å; V107-F145 HydrophobicContact CG2-CE1 3.33Å; V107-F145 HydrophobicContact CG2-CZ 3.58Å; V107-Y146 WeakPolarHBondContact CG2-OH 3.26Å
108	L	90.9	Very high	90.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.6	-178.8	-71.6	151.2	0	0	0	109.7	E67 V110 L115 L128	E67-L108 HydrophobicContact CB-CD1 4.25Å; E67-L108 HydrophobicContact CB-CD2 3.43Å; E67-L108 VanDerWaalsContact CB-CD2 3.43Å; E67-L108 HydrophobicContact CB-CG 4.32Å; E67-L108 HydrophobicContact CG-CD2 4.38Å; L108-V110 HydrophobicContact CB-CG2 4.42Å; L108-L115 PolarHBondContact N-O 2.72Å; L108-L115 PolarHBondContact O-N 3.47Å; L108-L128 HydrophobicContact CD1-CD2 3.6Å
109	M	89.8	Confident	91.3	Very high	111 Å²	111	45.1 Å²	45.1	55%	0.547	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.8	167.9	-165.2	171.8	-60.3	0	0	109	R68 E113	R68-M109 PolarHBondContact NH1-O 2.86Å; R68-M109 VanDerWaalsContact NH1-O 3.11Å; M109-E113 WeakPolarHBondContact CA-O 3.38Å
110	V	85.4	Confident	91.5	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.4	-179.3	-178.1	0	0	0	0	107.6	L71 L108 G112 E113 L115	L71-V110 HydrophobicContact CD2-CG2 3.57Å; L108-V110 HydrophobicContact CB-CG2 4.42Å; V110-G112 PolarHBondContact O-N 2.72Å; V110-E113 PolarHBondContact N-O 3.42Å; V110-E113 WeakPolarHBondContact O-CB 3.41Å; V110-E113 PolarHBondContact O-N 2.95Å; V110-L115 HydrophobicContact CB-CD1 3.94Å; V110-L115 HydrophobicContact CG2-CD1 3.77Å
111	D	87	Confident	91.5	Very high	168 Å²	168	43.8 Å²	43.8	90%	0.898	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	35	179.2	-59.3	-32.4	0	0	0	114.6	E113	D111-E113 VanDerWaalsContact C-N 3.3Å
112	G	90.1	Very high	91.2	Very high	70 Å²	70	47.2 Å²	47.2	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-3	-179	0	0	0	0	0	114.8	V110	V110-G112 PolarHBondContact O-N 2.72Å
113	E	91.3	Very high	90.8	Very high	131 Å²	131	45 Å²	45	61%	0.612	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	135	173	-63.3	-169.2	162.7	0	0	111.2	M109 V110 D111	M109-E113 WeakPolarHBondContact CA-O 3.38Å; V110-E113 PolarHBondContact N-O 3.42Å; V110-E113 WeakPolarHBondContact O-CB 3.41Å; V110-E113 PolarHBondContact O-N 2.95Å; D111-E113 VanDerWaalsContact C-N 3.3Å
114	L	92.8	Very high	90.1	Very high	67 Å²	67	52.1 Å²	52.1	35%	0.351	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.1	174.8	-163.5	71.1	0	0	0	109.2	V107 A131	V107-L114 HydrophobicContact CG1-CD1 3.25Å; V107-L114 HydrophobicContact CG1-CD2 4.21Å; V107-L114 HydrophobicContact CG1-CG 3.7Å; L114-A131 HydrophobicContact CB-CB 3.85Å; L114-A131 HydrophobicContact CD2-CB 3.77Å; L114-A131 HydrophobicContact CG-CB 3.88Å; L114-A131 VanDerWaalsContact O-CB 3.22Å; L114-A131 WeakPolarHBondContact O-CB 3.27Å; L114-A131 PolarHBondContact O-N 2.88Å
115	L	92.8	Very high	89.4	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.5	179.5	-63.7	164.4	0	0	0	109.5	V107 L108 V110 L128 P130	V107-L115 CarbonylContact C-O 3.6Å; V107-L115 WeakPolarHBondContact CA-O 3.23Å; L108-L115 PolarHBondContact N-O 2.72Å; L108-L115 PolarHBondContact O-N 3.47Å; V110-L115 HydrophobicContact CB-CD1 3.94Å; V110-L115 HydrophobicContact CG2-CD1 3.77Å; L115-L128 HydrophobicContact CB-CD2 4.16Å; L115-P130 HydrophobicContact CD2-CG 4.27Å
116	H	93.9	Very high	89.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.9	167.1	-74.6	112.5	0	0	0	109.6	V104 V107 V118 L128 V129 A131 V134 N135	V104-H116 HydrophobicContact CG1-CB 4.15Å; V104-H116 WeakPolarHBondContact CG1-CD2 3.39Å; V107-H116 VanDerWaalsContact CG2-CD2 3.41Å; V107-H116 WeakPolarHBondContact CG2-CD2 3.42Å; H116-V118 HydrophobicContact CB-CG1 4.01Å; H116-L128 WeakPolarHBondContact O-CA 3.29Å; H116-V129 PolarHBondContact N-O 3.28Å; H116-V129 PolarHBondContact O-N 2.98Å; H116-A131 WeakPolarHBondContact ND1-CA 3.49Å; H116-V134 HydrophobicContact CB-CB 4.42Å; H116-V134 HydrophobicContact CB-CG2 3.92Å; H116-N135 PolarHBondContact CE1-OD1 2.89Å; H116-N135 VanDerWaalsContact CE1-OD1 3.31Å
117	L	92.2	Very high	89.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.7	167.4	-177.5	65.1	0	0	0	108.7	L105 N106 V126 E127 L128	L105-L117 HydrophobicContact CB-CG 4.45Å; L105-L117 WeakPolarHBondContact CB-O 3.42Å; L105-L117 PolarHBondContact N-O 2.9Å; N106-L117 HydrophobicContact CB-CB 4.08Å; N106-L117 HydrophobicContact CB-CD2 3.91Å; N106-L117 PolarHBondContact N-O 3.09Å; N106-L117 PolarHBondContact O-N 2.88Å; L117-V126 HydrophobicContact CD1-CB 3.91Å; L117-V126 HydrophobicContact CD1-CG2 3.8Å; L117-V126 HydrophobicContact CG-CB 4.46Å; L117-E127 WeakPolarHBondContact CA-O 3.35Å; L117-L128 HydrophobicContact CB-CD2 3.92Å; L117-L128 HydrophobicContact CD1-CD2 3.86Å; L117-L128 HydrophobicContact CD1-CG 4.22Å
118	V	92.5	Very high	88.9	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.2	-167.5	-72.5	0	0	0	0	112.3	L101 V104 H116 F120 V126 E127 V129 V134	L101-V118 HydrophobicContact CD1-CB 3.37Å; L101-V118 HydrophobicContact CD1-CG1 3.54Å; L101-V118 HydrophobicContact CD1-CG2 4.29Å; L101-V118 HydrophobicContact CD2-CG1 4.24Å; V104-V118 HydrophobicContact CG2-CG1 4.43Å; H116-V118 HydrophobicContact CB-CG1 4.01Å; V118-F120 HydrophobicContact CG2-CE2 3.81Å; V118-F120 HydrophobicContact CG2-CZ 4.17Å; V118-V126 CarbonylContact O-C 3.55Å; V118-V126 WeakPolarHBondContact O-CA 3.42Å; V118-V126 WeakPolarHBondContact O-CB 3.49Å; V118-E127 HydrophobicContact CG2-CB 4.07Å; V118-E127 WeakPolarHBondContact CG2-O 3.46Å; V118-E127 PolarHBondContact N-O 3.39Å; V118-E127 PolarHBondContact O-N 3.24Å; V118-V129 HydrophobicContact CG2-CB 4.2Å; V118-V129 HydrophobicContact CG2-CG2 3.5Å; V118-V129 VanDerWaalsContact CG2-CG2 3.5Å; V118-V134 HydrophobicContact CG1-CG2 4.26Å
119	K	91.4	Very high	88.9	Confident	30 Å²	30	56.5 Å²	56.5	13%	0.13	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.7	165.1	-175.2	-171.9	176.5	-158.8	0	109	I30 L101 E102 A103 L105 S123	I30-K119 HydrophobicContact CD1-CB 4.43Å; I30-K119 HydrophobicContact CD1-CD 4.04Å; I30-K119 HydrophobicContact CD1-CG 4.45Å; I30-K119 HydrophobicContact CG2-CD 4.34Å; L101-K119 WeakPolarHBondContact CD1-O 3.25Å; E102-K119 WeakPolarHBondContact CA-O 3.45Å; E102-K119 HydrophobicContact CB-CG 4.46Å; E102-K119 WeakPolarHBondContact CB-O 3.4Å; E102-K119 PolarHBondContact N-O 2.86Å; E102-K119 IonicContact OE1-NZ 2.61Å; E102-K119 PolarHBondContact OE1-NZ 2.94Å; E102-K119 WeakPolarHBondContact OE2-CE 3.29Å; E102-K119 IonicContact OE2-NZ 2.71Å; E102-K119 PolarHBondContact OE2-NZ 2.86Å; A103-K119 PolarHBondContact N-O 3.43Å; A103-K119 PolarHBondContact O-N 3.45Å; L105-K119 HydrophobicContact CD1-CB 4.12Å; L105-K119 HydrophobicContact CG-CB 4.44Å; K119-S123 WeakPolarHBondContact CE-O 3.24Å
120	F	91.3	Very high	89.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	147.6	171.6	-70.9	-81.7	0	0	0	111.2	K94 F95 F99 V118 G122 S123 E127 V129 W138	K94-F120 HydrophobicContact CB-CD1 4.33Å; K94-F120 HydrophobicContact CB-CD2 3.54Å; K94-F120 HydrophobicContact CB-CE1 4.49Å; K94-F120 HydrophobicContact CB-CE2 3.71Å; K94-F120 HydrophobicContact CB-CG 3.87Å; K94-F120 HydrophobicContact CB-CZ 4.21Å; K94-F120 HydrophobicContact CD-CB 4.35Å; K94-F120 HydrophobicContact CD-CD2 4.02Å; K94-F120 HydrophobicContact CD-CG 4.42Å; K94-F120 HydrophobicContact CG-CD2 4.39Å; F95-F120 HydrophobicContact CB-CE1 4.34Å; F95-F120 HydrophobicContact CB-CZ 3.85Å; F99-F120 HydrophobicContact CB-CB 4.07Å; F99-F120 HydrophobicContact CB-CD1 3.63Å; F99-F120 HydrophobicContact CB-CE1 4.42Å; F99-F120 HydrophobicContact CB-CG 4.07Å; F99-F120 WeakPolarHBondContact O-CD1 3.34Å; V118-F120 HydrophobicContact CG2-CE2 3.81Å; V118-F120 HydrophobicContact CG2-CZ 4.17Å; F120-G122 PolarHBondContact O-N 2.93Å; F120-S123 WeakPolarHBondContact O-CB 3.22Å; F120-S123 PolarHBondContact O-N 3.25Å; F120-S123 VanDerWaalsContact O-N 3.15Å; F120-E127 HydrophobicContact CD2-CB 4.5Å; F120-E127 HydrophobicContact CE2-CB 3.98Å; F120-V129 HydrophobicContact CZ-CG2 4.37Å; F120-W138 HydrophobicContact CE1-CH2 4.03Å
121	R	91.3	Very high	89.6	Confident	155 Å²	155	52.2 Å²	52.2	59%	0.585	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	132.6	178	-175.2	177.7	-65.8	-81.1	-3.4	110.3	D100 E102 S123	D100-R121 WeakPolarHBondContact O-CB 3.49Å; D100-R121 PolarHBondContact O-N 2.82Å; E102-R121 HydrophobicContact CB-CB 4.36Å; R121-S123 VanDerWaalsContact C-N 3.28Å; R121-S123 PolarHBondContact O-N 3.23Å
122	G	87.1	Confident	90	Very high	78 Å²	78	49.5 Å²	49.5	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	16.2	-179.2	0	0	0	0	0	114.2	F120	F120-G122 PolarHBondContact O-N 2.93Å
123	S	83.8	Confident	90.1	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	27%	0.266	C	S	.	.			trans	-124.8	131.4	178.1	165.5	0	0	0	0	110.8	K94 K119 F120 R121 T125	K94-S123 PolarHBondContact NZ-OG 3.05Å; K119-S123 WeakPolarHBondContact CE-O 3.24Å; F120-S123 WeakPolarHBondContact O-CB 3.22Å; F120-S123 PolarHBondContact O-N 3.25Å; F120-S123 VanDerWaalsContact O-N 3.15Å; R121-S123 VanDerWaalsContact C-N 3.28Å; R121-S123 PolarHBondContact O-N 3.23Å; S123-T125 VanDerWaalsContact C-N 3.27Å; S123-T125 PolarHBondContact OG-N 3.41Å; S123-T125 VanDerWaalsContact OG-N 3.08Å; S123-T125 PolarHBondContact OG-O 3.43Å; S123-T125 PolarHBondContact OG-OG1 3.18Å
124	D	79.4	Confident	90.3	Very high	161 Å²	161	42.1 Å²	42.1	86%	0.861	24%	0.237	S	C	*	.	S	Bend	trans	-84.6	-5.8	171.5	-57.1	-29.1	0	0	0	112.4
125	T	79.6	Confident	90.5	Very high	79 Å²	79	42.4 Å²	42.4	49%	0.485	24%	0.239	S	C	.	.			trans	-97.9	148.7	177.2	77.9	0	0	0	0	111.1	K94 S123	K94-T125 PolarHBondContact NZ-OG1 2.95Å; S123-T125 VanDerWaalsContact C-N 3.27Å; S123-T125 PolarHBondContact OG-N 3.41Å; S123-T125 VanDerWaalsContact OG-N 3.08Å; S123-T125 PolarHBondContact OG-O 3.43Å; S123-T125 PolarHBondContact OG-OG1 3.18Å
126	V	87.7	Confident	90.6	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	155.7	172.1	-62.3	0	0	0	0	110.5	I30 L74 L105 L117 V118	I30-V126 HydrophobicContact CD1-CG1 3.65Å; L74-V126 HydrophobicContact CD1-CG2 4.15Å; L105-V126 HydrophobicContact CD1-CB 4.46Å; L105-V126 HydrophobicContact CD1-CG1 3.42Å; L105-V126 VanDerWaalsContact CD1-CG1 3.42Å; L117-V126 HydrophobicContact CD1-CB 3.91Å; L117-V126 HydrophobicContact CD1-CG2 3.8Å; L117-V126 HydrophobicContact CG-CB 4.46Å; V118-V126 CarbonylContact O-C 3.55Å; V118-V126 WeakPolarHBondContact O-CA 3.42Å; V118-V126 WeakPolarHBondContact O-CB 3.49Å
127	E	88.3	Confident	90.6	Very high	21 Å²	21	54.9 Å²	54.9	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.3	177.6	-160.5	175.4	144.5	0	0	109.4	S93 K94 L117 V118 F120	S93-E127 WeakPolarHBondContact CB-OE1 3.45Å; S93-E127 PolarHBondContact OG-OE1 2.78Å; K94-E127 WeakPolarHBondContact CB-OE2 3.44Å; K94-E127 PolarHBondContact N-OE2 3.32Å; L117-E127 WeakPolarHBondContact CA-O 3.35Å; V118-E127 HydrophobicContact CG2-CB 4.07Å; V118-E127 WeakPolarHBondContact CG2-O 3.46Å; V118-E127 PolarHBondContact N-O 3.39Å; V118-E127 PolarHBondContact O-N 3.24Å; F120-E127 HydrophobicContact CD2-CB 4.5Å; F120-E127 HydrophobicContact CE2-CB 3.98Å
128	L	89.1	Confident	90.8	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.3	170.2	-72.6	167.3	0	0	0	109.9	L71 L108 L115 H116 L117	L71-L128 HydrophobicContact CB-CD1 4.26Å; L71-L128 HydrophobicContact CD1-CD1 3.03Å; L71-L128 HydrophobicContact CD1-CG 4.49Å; L71-L128 HydrophobicContact CD2-CD1 3.98Å; L71-L128 HydrophobicContact CG-CD1 3.92Å; L108-L128 HydrophobicContact CD1-CD2 3.6Å; L115-L128 HydrophobicContact CB-CD2 4.16Å; H116-L128 WeakPolarHBondContact O-CA 3.29Å; L117-L128 HydrophobicContact CB-CD2 3.92Å; L117-L128 HydrophobicContact CD1-CD2 3.86Å; L117-L128 HydrophobicContact CD1-CG 4.22Å
129	V	91.3	Very high	91	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.8	-179.7	-178.6	0	0	0	0	108.8	H116 V118 F120 A131 I133 V134	H116-V129 PolarHBondContact N-O 3.28Å; H116-V129 PolarHBondContact O-N 2.98Å; V118-V129 HydrophobicContact CG2-CB 4.2Å; V118-V129 HydrophobicContact CG2-CG2 3.5Å; V118-V129 VanDerWaalsContact CG2-CG2 3.5Å; F120-V129 HydrophobicContact CZ-CG2 4.37Å; V129-A131 PolarHBondContact O-N 3.09Å; V129-I133 HydrophobicContact CG1-CB 3.98Å; V129-I133 HydrophobicContact CG1-CG2 3.78Å; V129-V134 HydrophobicContact CB-CG2 3.68Å; V129-V134 HydrophobicContact CG1-CG2 3.5Å; V129-V134 VanDerWaalsContact CG1-CG2 3.5Å
130	P	92.9	Very high	91.2	Very high	48 Å²	48	62.8 Å²	62.8	31%	0.312	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.8	134.8	172.7	-31.4	37.2	0	0	0	113.2	L115 N132 I133 V134	L115-P130 HydrophobicContact CD2-CG 4.27Å; P130-N132 VanDerWaalsContact C-N 3.28Å; P130-N132 WeakPolarHBondContact CB-OD1 3.43Å; P130-N132 PolarHBondContact O-N 3.34Å; P130-I133 HydrophobicContact CB-CD1 4.07Å; P130-I133 HydrophobicContact CB-CG1 4.23Å; P130-I133 HydrophobicContact CG-CD1 4.05Å; P130-I133 WeakPolarHBondContact O-CB 3.44Å; P130-I133 PolarHBondContact O-N 2.99Å; P130-V134 PolarHBondContact O-N 2.87Å
131	A	95.6	Very high	91.4	Very high	7 Å²	7	64.5 Å²	64.5	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-36.1	-172.9	0	0	0	0	0	112.9	L114 H116 V129 I133 V134 N135	L114-A131 HydrophobicContact CB-CB 3.85Å; L114-A131 HydrophobicContact CD2-CB 3.77Å; L114-A131 HydrophobicContact CG-CB 3.88Å; L114-A131 VanDerWaalsContact O-CB 3.22Å; L114-A131 WeakPolarHBondContact O-CB 3.27Å; L114-A131 PolarHBondContact O-N 2.88Å; H116-A131 WeakPolarHBondContact ND1-CA 3.49Å; V129-A131 PolarHBondContact O-N 3.09Å; A131-I133 VanDerWaalsContact C-N 3.26Å; A131-I133 PolarHBondContact O-N 3.29Å; A131-V134 PolarHBondContact O-N 2.85Å; A131-N135 VanDerWaalsContact O-CB 3.25Å; A131-N135 WeakPolarHBondContact O-CB 3.49Å; A131-N135 PolarHBondContact O-N 3.31Å; A131-N135 PolarHBondContact O-ND2 3.1Å; A131-N135 PolarHBondContact O-OD1 2.79Å; A131-N135 VanDerWaalsContact O-OD1 3.12Å
132	N	94.9	Very high	91.7	Very high	111 Å²	111	57.8 Å²	57.8	59%	0.594	33%	0.331	S	S	*	.	H	α-helix	trans	-56.5	-41.3	175.1	63.3	-31.8	0	0	0	112.2	P130 E136	P130-N132 VanDerWaalsContact C-N 3.28Å; P130-N132 WeakPolarHBondContact CB-OD1 3.43Å; P130-N132 PolarHBondContact O-N 3.34Å; N132-E136 WeakPolarHBondContact O-CB 3.33Å; N132-E136 PolarHBondContact O-N 3.49Å; N132-E136 VanDerWaalsContact O-N 3.1Å
133	I	92.9	Very high	92.1	Very high	46 Å²	46	58.4 Å²	58.4	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-46.5	179	-66.4	177.9	0	0	0	110.8	F95 V129 P130 A131 E136 K137	F95-I133 HydrophobicContact CD2-CG2 3.82Å; F95-I133 HydrophobicContact CE1-CG2 4.15Å; F95-I133 HydrophobicContact CE2-CG2 3.06Å; F95-I133 HydrophobicContact CZ-CG2 3.28Å; V129-I133 HydrophobicContact CG1-CB 3.98Å; V129-I133 HydrophobicContact CG1-CG2 3.78Å; P130-I133 HydrophobicContact CB-CD1 4.07Å; P130-I133 HydrophobicContact CB-CG1 4.23Å; P130-I133 HydrophobicContact CG-CD1 4.05Å; P130-I133 WeakPolarHBondContact O-CB 3.44Å; P130-I133 PolarHBondContact O-N 2.99Å; A131-I133 VanDerWaalsContact C-N 3.26Å; A131-I133 PolarHBondContact O-N 3.29Å; I133-E136 PolarHBondContact O-N 2.88Å; I133-K137 PolarHBondContact O-N 3.23Å
134	V	95.8	Very high	92.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.2	-41.2	-179	-172.7	0	0	0	0	111.1	L101 V104 H116 V118 V129 P130 A131 E136 K137 W138 V142	L101-V134 HydrophobicContact CD2-CG1 3.89Å; V104-V134 HydrophobicContact CG2-CG1 3.84Å; H116-V134 HydrophobicContact CB-CB 4.42Å; H116-V134 HydrophobicContact CB-CG2 3.92Å; V118-V134 HydrophobicContact CG1-CG2 4.26Å; V129-V134 HydrophobicContact CB-CG2 3.68Å; V129-V134 HydrophobicContact CG1-CG2 3.5Å; V129-V134 VanDerWaalsContact CG1-CG2 3.5Å; P130-V134 PolarHBondContact O-N 2.87Å; A131-V134 PolarHBondContact O-N 2.85Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.01Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-W138 HydrophobicContact CG1-CE3 4.35Å; V134-W138 CarbonylContact O-C 3.54Å; V134-W138 WeakPolarHBondContact O-CA 3.4Å; V134-W138 PolarHBondContact O-N 3.37Å; V134-V142 HydrophobicContact CB-CG2 4.34Å; V134-V142 HydrophobicContact CG1-CG2 3.59Å
135	N	96.2	Very high	93.2	Very high	72 Å²	72	54.3 Å²	54.3	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-38	177.8	-66.2	-4.1	0	0	0	111.9	H116 A131 P139 V142	H116-N135 PolarHBondContact CE1-OD1 2.89Å; H116-N135 VanDerWaalsContact CE1-OD1 3.31Å; A131-N135 VanDerWaalsContact O-CB 3.25Å; A131-N135 WeakPolarHBondContact O-CB 3.49Å; A131-N135 PolarHBondContact O-N 3.31Å; A131-N135 PolarHBondContact O-ND2 3.1Å; A131-N135 PolarHBondContact O-OD1 2.79Å; A131-N135 VanDerWaalsContact O-OD1 3.12Å; N135-P139 WeakPolarHBondContact O-CB 3.48Å; N135-V142 WeakPolarHBondContact OD1-CG1 3.48Å
136	E	95.3	Very high	93.9	Very high	164 Å²	164	55.2 Å²	55.2	77%	0.766	29%	0.285	S	S	*	.	H	α-helix	trans	-72.9	-46.8	178.5	-173.4	179.9	175.2	0	0	111.9	N132 I133 V134	N132-E136 WeakPolarHBondContact O-CB 3.33Å; N132-E136 PolarHBondContact O-N 3.49Å; N132-E136 VanDerWaalsContact O-N 3.1Å; I133-E136 PolarHBondContact O-N 2.88Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.01Å
137	K	93.9	Very high	94	Very high	115 Å²	115	60.4 Å²	60.4	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-84.7	-35.8	-173.1	-69.1	-148.5	-173.2	169.9	0	114.8	F95 I133 V134 P139	F95-K137 HydrophobicContact CD2-CD 4.39Å; F95-K137 HydrophobicContact CE2-CD 3.51Å; F95-K137 HydrophobicContact CE2-CG 4.3Å; F95-K137 HydrophobicContact CZ-CD 4.22Å; F95-K137 VanDerWaalsContact CZ-CE 3.47Å; I133-K137 PolarHBondContact O-N 3.23Å; V134-K137 PolarHBondContact O-N 3.36Å; K137-P139 VanDerWaalsContact C-CD 3.42Å
138	W	95.6	Very high	93.9	Very high	36 Å²	36	65 Å²	65	14%	0.136	32%	0.324	C	S	.	.			trans	-131.9	53.7	-174.2	-59.8	-74.5	0	0	0	112.7	F95 L101 F120 V134 C140 L141 V142	F95-W138 AromaticContact CD2-CH2 3.65Å; F95-W138 HydrophobicContact CD2-CH2 3.65Å; F95-W138 AromaticContact CD2-CZ3 3.79Å; F95-W138 HydrophobicContact CD2-CZ3 3.79Å; F95-W138 HydrophobicContact CE2-CH2 4.24Å; F95-W138 HydrophobicContact CE2-CZ3 4.2Å; L101-W138 HydrophobicContact CB-CB 4.49Å; L101-W138 HydrophobicContact CB-CD2 3.53Å; L101-W138 HydrophobicContact CB-CE3 4.04Å; L101-W138 HydrophobicContact CB-CG 3.73Å; L101-W138 HydrophobicContact CB-CH2 4.47Å; L101-W138 HydrophobicContact CB-CZ2 4.06Å; L101-W138 HydrophobicContact CB-CZ3 4.48Å; L101-W138 HydrophobicContact CD2-CB 3.79Å; L101-W138 HydrophobicContact CD2-CD2 3.88Å; L101-W138 HydrophobicContact CD2-CE3 3.87Å; L101-W138 HydrophobicContact CD2-CG 3.87Å; L101-W138 HydrophobicContact CG-CD2 4.33Å; L101-W138 HydrophobicContact CG-CG 4.44Å; F120-W138 HydrophobicContact CE1-CH2 4.03Å; V134-W138 HydrophobicContact CG1-CE3 4.35Å; V134-W138 CarbonylContact O-C 3.54Å; V134-W138 WeakPolarHBondContact O-CA 3.4Å; V134-W138 PolarHBondContact O-N 3.37Å; W138-C140 VanDerWaalsContact C-N 3.28Å; W138-C140 PolarHBondContact O-N 2.9Å; W138-L141 HydrophobicContact CB-CB 4.32Å; W138-L141 HydrophobicContact CB-CD1 4.18Å; W138-L141 HydrophobicContact CG-CD1 4.39Å; W138-L141 PolarHBondContact O-N 3.31Å; W138-L141 VanDerWaalsContact O-N 3.1Å; W138-V142 PolarHBondContact O-N 2.84Å
139	P	97.1	Very high	93.6	Very high	62 Å²	62	65.9 Å²	65.9	40%	0.403	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-37.6	-174.9	22.3	-33.7	0	0	0	113.2	N135 K137 L141 V142 I143	N135-P139 WeakPolarHBondContact O-CB 3.48Å; K137-P139 VanDerWaalsContact C-CD 3.42Å; P139-L141 VanDerWaalsContact C-N 3.34Å; P139-L141 PolarHBondContact O-N 3.45Å; P139-V142 WeakPolarHBondContact O-CB 3.41Å; P139-V142 PolarHBondContact O-N 2.95Å; P139-I143 VanDerWaalsContact O-CG1 3.32Å; P139-I143 WeakPolarHBondContact O-CG1 3.27Å; P139-I143 PolarHBondContact O-N 3.4Å
140	C	96.5	Very high	93.3	Very high	100 Å²	100	70.2 Å²	70.2	68%	0.676	35%	0.347	S	S	*	.	H	α-helix	trans	-63	-38.8	179.5	-59.9	0	0	0	0	112.6	W138 V142 I143 E144	W138-C140 VanDerWaalsContact C-N 3.28Å; W138-C140 PolarHBondContact O-N 2.9Å; C140-V142 VanDerWaalsContact C-N 3.34Å; C140-I143 PolarHBondContact O-N 3.31Å; C140-E144 WeakPolarHBondContact O-CB 3.17Å; C140-E144 PolarHBondContact O-N 3.47Å
141	L	95.7	Very high	92.5	Very high	36 Å²	36	73.9 Å²	73.9	19%	0.188	36%	0.36	C	S	.	.	H	α-helix	trans	-71.6	-32.3	177.5	-70.3	174.8	0	0	0	111.7	L101 V104 W138 P139 F145	L101-L141 HydrophobicContact CB-CD1 3.73Å; L101-L141 HydrophobicContact CD2-CB 4.28Å; L101-L141 HydrophobicContact CD2-CD1 3.73Å; L101-L141 HydrophobicContact CG-CD1 3.66Å; L101-L141 WeakPolarHBondContact O-CD1 3.27Å; V104-L141 HydrophobicContact CG2-CB 4.42Å; W138-L141 HydrophobicContact CB-CB 4.32Å; W138-L141 HydrophobicContact CB-CD1 4.18Å; W138-L141 HydrophobicContact CG-CD1 4.39Å; W138-L141 PolarHBondContact O-N 3.31Å; W138-L141 VanDerWaalsContact O-N 3.1Å; P139-L141 VanDerWaalsContact C-N 3.34Å; P139-L141 PolarHBondContact O-N 3.45Å; L141-F145 WeakPolarHBondContact O-CB 3.45Å; L141-F145 PolarHBondContact O-N 2.9Å
142	V	96.6	Very high	91.6	Very high	13 Å²	13	81.8 Å²	81.8	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-66.2	-46.8	172.8	177.9	0	0	0	0	110.5	V104 V134 N135 W138 P139 C140 F145 Y146	V104-V142 HydrophobicContact CG2-CG2 4.25Å; V134-V142 HydrophobicContact CB-CG2 4.34Å; V134-V142 HydrophobicContact CG1-CG2 3.59Å; N135-V142 WeakPolarHBondContact OD1-CG1 3.48Å; W138-V142 PolarHBondContact O-N 2.84Å; P139-V142 WeakPolarHBondContact O-CB 3.41Å; P139-V142 PolarHBondContact O-N 2.95Å; C140-V142 VanDerWaalsContact C-N 3.34Å; V142-F145 WeakPolarHBondContact O-CB 3.32Å; V142-F145 PolarHBondContact O-N 2.84Å; V142-Y146 HydrophobicContact CG1-CD2 3.88Å; V142-Y146 HydrophobicContact CG1-CE2 3.64Å; V142-Y146 WeakPolarHBondContact O-CD2 3.47Å; V142-Y146 PolarHBondContact O-N 3.28Å
143	I	96.6	Very high	90.5	Very high	91 Å²	91	81.5 Å²	81.5	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-50.8	177.4	-69	165.1	0	0	0	109.8	P139 C140 F145 Y146 E147	P139-I143 VanDerWaalsContact O-CG1 3.32Å; P139-I143 WeakPolarHBondContact O-CG1 3.27Å; P139-I143 PolarHBondContact O-N 3.4Å; C140-I143 PolarHBondContact O-N 3.31Å; I143-F145 VanDerWaalsContact C-N 3.26Å; I143-F145 PolarHBondContact O-N 3.23Å; I143-Y146 PolarHBondContact O-N 2.81Å; I143-Y146 VanDerWaalsContact O-N 3.11Å; I143-E147 HydrophobicContact CG2-CG 3.98Å; I143-E147 WeakPolarHBondContact O-CB 3.29Å; I143-E147 WeakPolarHBondContact O-CG 3.3Å; I143-E147 PolarHBondContact O-N 3.27Å
144	E	93.5	Very high	88.8	Confident	76 Å²	76	85.3 Å²	85.3	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-57.4	-39.5	178.8	179.7	173.7	-154.4	0	0	112.2	C140 Y146 E147 R148	C140-E144 WeakPolarHBondContact O-CB 3.17Å; C140-E144 PolarHBondContact O-N 3.47Å; E144-Y146 PolarHBondContact O-N 2.92Å; E144-E147 PolarHBondContact O-N 3.38Å; E144-R148 VanDerWaalsContact CD-NH2 3.26Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.33Å; E144-R148 PolarHBondContact O-N 2.8Å; E144-R148 VanDerWaalsContact O-N 3.11Å; E144-R148 IonicContact OE1-CZ 3.9Å; E144-R148 IonicContact OE1-NE 3.47Å; E144-R148 PolarHBondContact OE1-NE 3.43Å; E144-R148 IonicContact OE1-NH2 3.36Å; E144-R148 PolarHBondContact OE1-NH2 3.26Å; E144-R148 IonicContact OE2-NH2 2.69Å
145	F	92.9	Very high	86.9	Confident	8 Å²	8	90.4 Å²	90.4	4%	0.035	46%	0.457	C	S	.	.	H	α-helix	trans	-60.1	-44.8	176.6	162.5	-94	0	0	0	112.9	V104 L105 V107 L141 V142 I143 R149	V104-F145 HydrophobicContact CB-CB 3.8Å; V104-F145 HydrophobicContact CB-CD2 4.16Å; V104-F145 HydrophobicContact CB-CG 3.97Å; V104-F145 HydrophobicContact CG1-CB 3.94Å; V104-F145 HydrophobicContact CG1-CD1 3.97Å; V104-F145 HydrophobicContact CG1-CD2 3.72Å; V104-F145 HydrophobicContact CG1-CE1 4.48Å; V104-F145 HydrophobicContact CG1-CE2 4.22Å; V104-F145 HydrophobicContact CG1-CG 3.57Å; V104-F145 VanDerWaalsContact O-CD2 3.24Å; V104-F145 WeakPolarHBondContact O-CD2 3.3Å; L105-F145 WeakPolarHBondContact O-CE2 3.1Å; V107-F145 HydrophobicContact CB-CE1 4.47Å; V107-F145 HydrophobicContact CB-CZ 4.39Å; V107-F145 HydrophobicContact CG2-CD1 4.28Å; V107-F145 HydrophobicContact CG2-CE1 3.33Å; V107-F145 HydrophobicContact CG2-CZ 3.58Å; L141-F145 WeakPolarHBondContact O-CB 3.45Å; L141-F145 PolarHBondContact O-N 2.9Å; V142-F145 WeakPolarHBondContact O-CB 3.32Å; V142-F145 PolarHBondContact O-N 2.84Å; I143-F145 VanDerWaalsContact C-N 3.26Å; I143-F145 PolarHBondContact O-N 3.23Å; F145-R149 VanDerWaalsContact CE2-NH1 3.3Å; F145-R149 PolarHBondContact O-NH1 2.88Å
146	Y	92.6	Very high	84.7	Confident	98 Å²	98	100.3 Å²	100.3	38%	0.384	49%	0.491	S	S	.	.	H	α-helix	trans	-74	-41.7	178	-73.8	-69.9	0	0	0	111.5	V107 V142 I143 E144 R148 R149 I150	V107-Y146 WeakPolarHBondContact CG2-OH 3.26Å; V142-Y146 HydrophobicContact CG1-CD2 3.88Å; V142-Y146 HydrophobicContact CG1-CE2 3.64Å; V142-Y146 WeakPolarHBondContact O-CD2 3.47Å; V142-Y146 PolarHBondContact O-N 3.28Å; I143-Y146 PolarHBondContact O-N 2.81Å; I143-Y146 VanDerWaalsContact O-N 3.11Å; E144-Y146 PolarHBondContact O-N 2.92Å; Y146-R148 VanDerWaalsContact C-N 3.29Å; Y146-R148 PolarHBondContact O-N 3.26Å; Y146-R149 PolarHBondContact O-N 3.21Å; Y146-I150 WeakPolarHBondContact O-CG1 3Å; Y146-I150 PolarHBondContact O-N 3.43Å
147	E	91.1	Very high	84.2	Confident	126 Å²	126	97.1 Å²	97.1	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-57.2	-40.7	179.3	-76.6	-177	155.3	0	0	112.5	I143 E144 R149 I150	I143-E147 HydrophobicContact CG2-CG 3.98Å; I143-E147 WeakPolarHBondContact O-CB 3.29Å; I143-E147 WeakPolarHBondContact O-CG 3.3Å; I143-E147 PolarHBondContact O-N 3.27Å; E144-E147 PolarHBondContact O-N 3.38Å; E147-R149 PolarHBondContact O-N 3.34Å; E147-I150 PolarHBondContact O-N 2.92Å
148	R	85.8	Confident	83.7	Confident	117 Å²	117	96.2 Å²	96.2	44%	0.442	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.9	176.4	-71	173	-176.2	-173.6	2.2	114.1	E144 Y146	E144-R148 VanDerWaalsContact CD-NH2 3.26Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.33Å; E144-R148 PolarHBondContact O-N 2.8Å; E144-R148 VanDerWaalsContact O-N 3.11Å; E144-R148 IonicContact OE1-CZ 3.9Å; E144-R148 IonicContact OE1-NE 3.47Å; E144-R148 PolarHBondContact OE1-NE 3.43Å; E144-R148 IonicContact OE1-NH2 3.36Å; E144-R148 PolarHBondContact OE1-NH2 3.26Å; E144-R148 IonicContact OE2-NH2 2.69Å; Y146-R148 VanDerWaalsContact C-N 3.29Å; Y146-R148 PolarHBondContact O-N 3.26Å
149	R	83.9	Confident	83	Confident	54 Å²	54	99.5 Å²	99.5	20%	0.204	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-7.2	-176.7	-72.5	167	173.5	61.6	14.3	113.5	M54 L105 F145 Y146 E147 Q151	M54-R149 HydrophobicContact CE-CG 4.47Å; M54-R149 HydrophobicContact SD-CG 3.96Å; M54-R149 PolarHBondContact SD-NE 3.11Å; M54-R149 PolarHBondContact SD-NH2 3.37Å; L105-R149 PolarHBondContact O-NH2 3.46Å; L105-R149 VanDerWaalsContact O-NH2 3.12Å; F145-R149 VanDerWaalsContact CE2-NH1 3.3Å; F145-R149 PolarHBondContact O-NH1 2.88Å; Y146-R149 PolarHBondContact O-N 3.21Å; E147-R149 PolarHBondContact O-N 3.34Å; R149-Q151 PolarHBondContact O-N 2.7Å
150	I	84.7	Confident	82.2	Confident	94 Å²	94	101.7 Å²	101.7	48%	0.482	50%	0.5	S	S	.	.			trans	-72.3	113.6	178.2	-67.6	168.6	0	0	0	108.5	Y146 E147 F152	Y146-I150 WeakPolarHBondContact O-CG1 3Å; Y146-I150 PolarHBondContact O-N 3.43Å; E147-I150 PolarHBondContact O-N 2.92Å; I150-F152 HydrophobicContact CG2-CD1 4.33Å; I150-F152 HydrophobicContact CG2-CD2 4.07Å; I150-F152 HydrophobicContact CG2-CE1 3.93Å; I150-F152 HydrophobicContact CG2-CE2 3.64Å; I150-F152 HydrophobicContact CG2-CG 4.4Å; I150-F152 HydrophobicContact CG2-CZ 3.57Å
151	Q	75.2	Confident	81.3	Confident	126 Å²	126	101.8 Å²	101.8	59%	0.589	49%	0.489	S	S	*	.			trans	-97.7	122.2	166.8	-65.2	-176.8	-2.6	0	0	108.9	H58 R149	H58-Q151 PolarHBondContact CE1-NE2 2.64Å; H58-Q151 PolarHBondContact CE1-OE1 3.47Å; H58-Q151 VanDerWaalsContact CE1-OE1 3.27Å; R149-Q151 PolarHBondContact O-N 2.7Å
152	F	76.7	Confident	80.3	Confident	173 Å²	173	106.2 Å²	106.2	76%	0.759	51%	0.509	S	S	*	.			trans	-88.3	114.3	173.7	-65.2	-81.4	0	0	0	109	I150 N154	I150-F152 HydrophobicContact CG2-CD1 4.33Å; I150-F152 HydrophobicContact CG2-CD2 4.07Å; I150-F152 HydrophobicContact CG2-CE1 3.93Å; I150-F152 HydrophobicContact CG2-CE2 3.64Å; I150-F152 HydrophobicContact CG2-CG 4.4Å; I150-F152 HydrophobicContact CG2-CZ 3.57Å; F152-N154 PolarHBondContact O-N 3.29Å
153	S	71.6	Confident	79.2	Confident	104 Å²	104	112.9 Å²	112.9	73%	0.727	54%	0.539	S	S	*	.			trans	-75.7	106	168.4	54.6	0	0	0	0	109.4	S155	S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.76Å
154	N	57.1	Low	77.8	Confident	126 Å²	126	114.5 Å²	114.5	67%	0.674	55%	0.545	S	S	*	.			trans	-72.4	92.6	170.2	-79.3	-21.9	0	0	0	109.1	F152 Y156	F152-N154 PolarHBondContact O-N 3.29Å; N154-Y156 HydrophobicContact CB-CD2 4.32Å; N154-Y156 HydrophobicContact CB-CE2 3.9Å
155	S	56.1	Low	76.5	Confident	107 Å²	107	117.8 Å²	117.8	75%	0.748	56%	0.561	S	S	*	*			trans	-88.1	106.4	171.1	-47.9	0	0	0	0	107.9	S153	S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.76Å
156	Y	50.7	Low	75	Confident	280 Å²	280	127.7 Å²	127.7	100%	1.098	61%	0.609	S	S	*	*			trans	-94.5	0	171	-72.2	-81.2	0	0	0	110.9	N154	N154-Y156 HydrophobicContact CB-CD2 4.32Å; N154-Y156 HydrophobicContact CB-CE2 3.9Å

Retrieved 156 of 156 residues in 147.4 ms (Link to these results)

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