A0A3B3VBG5_9TELE Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3B3VBG5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 290 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	37.1	Very low	42.7	Very low	244 Å²	244	169.9 Å²	169.9	100%	1.202	85%	0.847	S	S	*	*				0	125	0	-72	163.6	164.7	0	0	108.1
2	S	34.7	Very low	45.7	Very low	117 Å²	117	159.6 Å²	159.6	82%	0.818	81%	0.808	S	S	*	*			trans	-99.5	125.7	174	49.7	0	0	0	0	110.4	R4	S2-R4 PolarHBondContact O-N 2.66Å
3	H	36.7	Very low	48.8	Very low	180 Å²	180	154 Å²	154	83%	0.833	77%	0.772	S	S	*	*			trans	-75.3	104.1	173	-79.9	-89	0	0	0	109.5	T5	H3-T5 PolarHBondContact O-N 2.68Å
4	R	39.1	Very low	51.6	Low	240 Å²	240	147.7 Å²	147.7	91%	0.906	74%	0.742	S	S	*	*			trans	-65.6	99.6	162.4	-86.5	-173.6	170.7	-179.3	-2.2	108.8	S2 R6	S2-R4 PolarHBondContact O-N 2.66Å; R4-R6 PolarHBondContact O-N 2.91Å; R4-R6 VanDerWaalsContact O-N 3.12Å
5	T	39.7	Very low	54.1	Low	122 Å²	122	139.6 Å²	139.6	75%	0.748	70%	0.7	S	S	*	*			trans	-60.1	111.1	163.1	36.9	0	0	0	0	108.5	H3 T7	H3-T5 PolarHBondContact O-N 2.68Å; T5-T7 VanDerWaalsContact C-N 3.25Å; T5-T7 PolarHBondContact O-N 3.34Å
6	R	37.3	Very low	56.5	Low	245 Å²	245	134.9 Å²	134.9	93%	0.925	68%	0.677	S	S	*	*			trans	-71	85.4	169.9	-84.1	174	57.7	-179.3	-2.8	108.7	R4 S8	R4-R6 PolarHBondContact O-N 2.91Å; R4-R6 VanDerWaalsContact O-N 3.12Å; R6-S8 PolarHBondContact O-N 2.76Å; R6-S8 VanDerWaalsContact O-N 3.08Å
7	T	40.4	Very low	58.8	Low	127 Å²	127	127.1 Å²	127.1	78%	0.779	64%	0.639	S	S	*	*			trans	-57.9	110.3	158.6	39	0	0	0	0	107.7	T5	T5-T7 VanDerWaalsContact C-N 3.25Å; T5-T7 PolarHBondContact O-N 3.34Å
8	S	42.1	Very low	60.7	Low	98 Å²	98	121.5 Å²	121.5	69%	0.685	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-60.3	135.7	165.1	50.5	0	0	0	0	108.1	R6 I10	R6-S8 PolarHBondContact O-N 2.76Å; R6-S8 VanDerWaalsContact O-N 3.08Å; S8-I10 PolarHBondContact O-N 2.75Å
9	P	47.7	Very low	62.5	Low	119 Å²	119	115.1 Å²	115.1	77%	0.773	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.8	174.4	24.3	-33.3	0	0	0	109	R11	P9-R11 PolarHBondContact O-N 3.37Å
10	I	55.3	Low	64.1	Low	165 Å²	165	109.4 Å²	109.4	85%	0.846	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-60.3	121.8	175	-60.5	173.2	0	0	0	106.3	S8 A12	S8-I10 PolarHBondContact O-N 2.75Å; I10-A12 PolarHBondContact O-N 2.82Å
11	R	59.9	Low	65.5	Low	212 Å²	212	104.2 Å²	104.2	80%	0.8	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-66.7	119.8	176.1	-64.2	-174.7	180	-171.9	0.1	107.9	P9 Y13	P9-R11 PolarHBondContact O-N 3.37Å; R11-Y13 WeakPolarHBondContact CB-O 3.28Å; R11-Y13 PolarHBondContact O-N 3.22Å; R11-Y13 VanDerWaalsContact O-N 3.11Å
12	A	79.2	Confident	68.1	Low	46 Å²	46	92.6 Å²	92.6	38%	0.38	47%	0.465	S	S	.	.	S	Bend	trans	-60.1	-21	178.1	0	0	0	0	0	113	I10 R64	I10-A12 PolarHBondContact O-N 2.82Å; A12-R64 VanDerWaalsContact O-CD 3.3Å; A12-R64 WeakPolarHBondContact O-CD 3.42Å
13	Y	85.7	Confident	70.8	Confident	87 Å²	87	87 Å²	87	34%	0.341	43%	0.427	S	S	.	.			trans	-144.4	151.2	176.4	57.6	-91	0	0	0	111.9	R11 F15 L16 K66	R11-Y13 WeakPolarHBondContact CB-O 3.28Å; R11-Y13 PolarHBondContact O-N 3.22Å; R11-Y13 VanDerWaalsContact O-N 3.11Å; Y13-F15 VanDerWaalsContact CD2-O 3.31Å; Y13-F15 WeakPolarHBondContact CD2-O 3.5Å; Y13-L16 HydrophobicContact CD2-CB 4.34Å; Y13-L16 HydrophobicContact CE2-CB 3.81Å; Y13-K66 HydrophobicContact CD1-CB 3.96Å; Y13-K66 HydrophobicContact CD1-CD 3.47Å; Y13-K66 VanDerWaalsContact CD1-CD 3.47Å; Y13-K66 HydrophobicContact CD1-CG 4.35Å; Y13-K66 HydrophobicContact CD2-CB 4.18Å; Y13-K66 HydrophobicContact CE1-CD 3.65Å; Y13-K66 HydrophobicContact CG-CB 3.71Å; Y13-K66 HydrophobicContact CG-CD 4.14Å
14	D	87.1	Confident	73.4	Confident	66 Å²	66	80.5 Å²	80.5	35%	0.353	40%	0.398	S	S	.	.	S	Bend	trans	-76.3	-44.7	171	-71.6	-101.2	0	0	0	111.3	R63 R64	D14-R63 HydrophobicContact CB-CB 4.08Å; D14-R63 IonicContact OD1-CZ 3.88Å; D14-R63 IonicContact OD1-NH1 3.74Å; D14-R63 PolarHBondContact OD1-NH1 3.48Å; D14-R63 WeakPolarHBondContact OD2-CA 3.3Å; D14-R63 WeakPolarHBondContact OD2-CB 3.32Å; D14-R64 PolarHBondContact N-O 2.61Å; D14-R64 PolarHBondContact OD2-N 3.3Å
15	F	90.3	Very high	75.7	Confident	26 Å²	26	72.8 Å²	72.8	11%	0.114	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.5	-172	-57.6	-51.9	0	0	0	111.3	Y13 R64 V65 K66 L177 M182 L185	Y13-F15 VanDerWaalsContact CD2-O 3.31Å; Y13-F15 WeakPolarHBondContact CD2-O 3.5Å; F15-R64 PolarHBondContact N-O 3.32Å; F15-V65 HydrophobicContact CB-CG1 4.25Å; F15-V65 HydrophobicContact CD2-CG2 4.15Å; F15-K66 PolarHBondContact O-N 2.88Å; F15-L177 HydrophobicContact CB-CD2 4.11Å; F15-L177 HydrophobicContact CD1-CD2 4.13Å; F15-L177 HydrophobicContact CD2-CD1 3.63Å; F15-L177 HydrophobicContact CD2-CD2 3.63Å; F15-L177 HydrophobicContact CD2-CG 4.31Å; F15-L177 HydrophobicContact CE1-CD2 4.47Å; F15-L177 HydrophobicContact CE2-CD1 4.01Å; F15-L177 HydrophobicContact CE2-CD2 3.99Å; F15-L177 HydrophobicContact CG-CD1 4.42Å; F15-L177 HydrophobicContact CG-CD2 3.71Å; F15-L177 HydrophobicContact CZ-CD2 4.4Å; F15-M182 HydrophobicContact CD1-SD 3.9Å; F15-M182 HydrophobicContact CE1-CE 4.37Å; F15-M182 HydrophobicContact CE1-SD 3.39Å; F15-M182 WeakPolarHBondContact CE1-SD 3.43Å; F15-M182 HydrophobicContact CZ-SD 3.76Å; F15-L185 HydrophobicContact CE1-CD1 3.81Å; F15-L185 HydrophobicContact CZ-CB 4.49Å; F15-L185 HydrophobicContact CZ-CD1 3.71Å
16	L	92.5	Very high	78.1	Confident	64 Å²	64	72.5 Å²	72.5	34%	0.335	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.5	171	-175.5	67.8	0	0	0	108	Y13 K66 Q68	Y13-L16 HydrophobicContact CD2-CB 4.34Å; Y13-L16 HydrophobicContact CE2-CB 3.81Å; L16-K66 CarbonylContact C-O 3.55Å; L16-K66 WeakPolarHBondContact CA-O 3.39Å; L16-K66 HydrophobicContact CD1-CB 3.86Å; L16-K66 HydrophobicContact CD1-CD 4.18Å; L16-K66 HydrophobicContact CD1-CG 3.79Å; L16-Q68 HydrophobicContact CD1-CG 3.95Å
17	L	94.5	Very high	80.8	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.9	177.7	-57.8	179.5	0	0	0	110.8	F19 V65 K66 L67 Q68 A173 V176 L177	L17-F19 HydrophobicContact CB-CD1 4.34Å; L17-F19 HydrophobicContact CB-CE1 3.77Å; L17-F19 HydrophobicContact CB-CZ 4.1Å; L17-F19 HydrophobicContact CD1-CE1 3.92Å; L17-F19 HydrophobicContact CD1-CZ 3.71Å; L17-F19 HydrophobicContact CG-CE1 4.45Å; L17-V65 HydrophobicContact CD1-CG1 3.67Å; L17-V65 HydrophobicContact CG-CG1 3.91Å; L17-K66 PolarHBondContact N-O 3.2Å; L17-L67 HydrophobicContact CB-CD2 3.93Å; L17-L67 HydrophobicContact CD1-CD2 4.18Å; L17-L67 HydrophobicContact CG-CD2 4.44Å; L17-L67 WeakPolarHBondContact O-CA 2.88Å; L17-Q68 PolarHBondContact O-N 3.23Å; L17-A173 HydrophobicContact CD1-CB 3.75Å; L17-V176 HydrophobicContact CD1-CG1 4.29Å; L17-V176 HydrophobicContact CD2-CG1 3.81Å; L17-L177 HydrophobicContact CD1-CD1 4.37Å; L17-L177 HydrophobicContact CD1-CG 4.19Å; L17-L177 HydrophobicContact CD2-CD2 4.06Å; L17-L177 HydrophobicContact CD2-CG 4.47Å
18	K	93.8	Very high	83.3	Confident	26 Å²	26	55.2 Å²	55.2	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.3	170.2	175.4	173.3	169.2	-174.7	0	110.7	Y85 R87 Q90 G91	K18-Y85 WeakPolarHBondContact CE-O 3.44Å; K18-Y85 PolarHBondContact NZ-O 3.42Å; K18-R87 PolarHBondContact NZ-O 3.42Å; K18-Q90 PolarHBondContact O-N 2.87Å; K18-G91 PolarHBondContact O-N 3.49Å
19	F	95.4	Very high	85.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.2	172.1	-60.3	-20.2	0	0	0	112	L17 L67 Q68 L69 W70 G91 F169 L172 A173 V176	L17-F19 HydrophobicContact CB-CD1 4.34Å; L17-F19 HydrophobicContact CB-CE1 3.77Å; L17-F19 HydrophobicContact CB-CZ 4.1Å; L17-F19 HydrophobicContact CD1-CE1 3.92Å; L17-F19 HydrophobicContact CD1-CZ 3.71Å; L17-F19 HydrophobicContact CG-CE1 4.45Å; F19-L67 HydrophobicContact CD2-CD1 4.27Å; F19-L67 HydrophobicContact CD2-CD2 4.26Å; F19-L67 HydrophobicContact CE2-CD1 3.99Å; F19-L67 HydrophobicContact CE2-CD2 3.69Å; F19-L67 HydrophobicContact CE2-CG 4.43Å; F19-L67 HydrophobicContact CZ-CD2 3.97Å; F19-Q68 PolarHBondContact N-O 3.09Å; F19-L69 HydrophobicContact CB-CD2 3.84Å; F19-L69 HydrophobicContact CD2-CD2 3.94Å; F19-L69 HydrophobicContact CG-CD2 4.29Å; F19-W70 PolarHBondContact O-N 3.13Å; F19-W70 VanDerWaalsContact O-N 3.07Å; F19-G91 VanDerWaalsContact CA-O 3.31Å; F19-G91 WeakPolarHBondContact CA-O 3.15Å; F19-F169 HydrophobicContact CD2-CD1 4.25Å; F19-L172 HydrophobicContact CB-CD2 4.48Å; F19-L172 HydrophobicContact CD1-CD2 3.97Å; F19-L172 HydrophobicContact CD1-CG 4.31Å; F19-L172 HydrophobicContact CD2-CD2 3.77Å; F19-L172 HydrophobicContact CD2-CG 4.34Å; F19-L172 HydrophobicContact CE1-CD2 4.1Å; F19-L172 HydrophobicContact CE1-CG 3.93Å; F19-L172 HydrophobicContact CE2-CB 4.18Å; F19-L172 HydrophobicContact CE2-CD2 3.88Å; F19-L172 HydrophobicContact CE2-CG 3.95Å; F19-L172 HydrophobicContact CG-CD2 3.83Å; F19-L172 HydrophobicContact CZ-CB 4.22Å; F19-L172 HydrophobicContact CZ-CD2 4.06Å; F19-L172 HydrophobicContact CZ-CG 3.74Å; F19-A173 HydrophobicContact CE2-CB 4.43Å; F19-A173 HydrophobicContact CZ-CB 3.99Å; F19-V176 HydrophobicContact CE1-CG2 4.15Å
20	L	93.4	Very high	87.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.1	169.7	-50.7	-174.5	0	0	0	110.1	V22 W70 T72 F82 A89 G91 V92 I93	L20-V22 HydrophobicContact CB-CG2 3.83Å; L20-W70 HydrophobicContact CD2-CB 3.65Å; L20-W70 HydrophobicContact CD2-CG 3.94Å; L20-T72 HydrophobicContact CB-CG2 4.4Å; L20-F82 HydrophobicContact CD1-CE2 4.13Å; L20-A89 HydrophobicContact CD1-CB 3.86Å; L20-A89 HydrophobicContact CD2-CB 4.42Å; L20-A89 HydrophobicContact CG-CB 3.82Å; L20-G91 PolarHBondContact N-O 3.36Å; L20-V92 WeakPolarHBondContact O-CA 3.28Å; L20-I93 PolarHBondContact O-N 3.07Å
21	L	93.4	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.7	164.6	-69.7	67.6	0	0	0	108.1	K29 I32 L33 L69 W70 T72 I93 F169	L21-K29 HydrophobicContact CB-CB 4.44Å; L21-K29 HydrophobicContact CB-CD 3.55Å; L21-K29 HydrophobicContact CB-CG 4.01Å; L21-K29 HydrophobicContact CD2-CB 4.32Å; L21-K29 HydrophobicContact CD2-CG 4.37Å; L21-K29 VanDerWaalsContact O-CD 3.28Å; L21-K29 WeakPolarHBondContact O-CD 3.15Å; L21-I32 HydrophobicContact CD2-CB 4.4Å; L21-I32 HydrophobicContact CD2-CG2 4.13Å; L21-L33 HydrophobicContact CD1-CD2 3.81Å; L21-L33 HydrophobicContact CD2-CD1 4.22Å; L21-L33 HydrophobicContact CD2-CD2 3.72Å; L21-L33 HydrophobicContact CD2-CG 3.69Å; L21-L33 HydrophobicContact CG-CD2 4.43Å; L21-L69 HydrophobicContact CD1-CB 4.42Å; L21-W70 PolarHBondContact N-O 3.31Å; L21-T72 PolarHBondContact O-N 3.08Å; L21-T72 PolarHBondContact O-OG1 3.21Å; L21-I93 HydrophobicContact CD1-CD1 4.28Å; L21-I93 HydrophobicContact CG-CB 4.3Å; L21-I93 HydrophobicContact CG-CD1 4.33Å; L21-F169 HydrophobicContact CD1-CE1 4.13Å; L21-F169 HydrophobicContact CD1-CZ 4.19Å; L21-F169 HydrophobicContact CD2-CZ 4.2Å; L21-F169 HydrophobicContact CG-CZ 4.38Å
22	V	92.3	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	-168.4	-174.9	0	0	0	0	109.5	L20 T72 F82 V92 I93 L94 V95 W110 I114	L20-V22 HydrophobicContact CB-CG2 3.83Å; V22-T72 HydrophobicContact CG2-CG2 4.41Å; V22-F82 HydrophobicContact CG1-CE2 4.13Å; V22-F82 HydrophobicContact CG2-CE2 3.81Å; V22-V92 HydrophobicContact CB-CG1 4.01Å; V22-V92 HydrophobicContact CG2-CG1 3.55Å; V22-I93 PolarHBondContact N-O 2.88Å; V22-L94 WeakPolarHBondContact O-CA 3.01Å; V22-V95 PolarHBondContact O-N 3.01Å; V22-W110 HydrophobicContact CG1-CB 3.95Å; V22-W110 HydrophobicContact CG1-CD2 3.74Å; V22-W110 HydrophobicContact CG1-CE3 3.3Å; V22-W110 HydrophobicContact CG1-CG 4.04Å; V22-W110 HydrophobicContact CG1-CZ3 4.02Å; V22-I114 HydrophobicContact CG1-CD1 4.31Å
23	G	92.1	Very high	91.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	148.2	179.6	-176.6	0	0	0	0	0	111	K29 W110	G23-K29 PolarHBondContact O-NZ 3.47Å; G23-W110 VanDerWaalsContact C-CE2 3.41Å; G23-W110 VanDerWaalsContact C-NE1 3.35Å; G23-W110 VanDerWaalsContact O-CZ2 3.3Å; G23-W110 WeakPolarHBondContact O-CZ2 3.49Å
24	D	90.4	Very high	91.9	Very high	42 Å²	42	32.6 Å²	32.6	23%	0.225	18%	0.179	C	C	.	.			trans	-64.7	169.2	-176.3	-80	4.3	0	0	0	114.1	V27 K29 W110	D24-V27 HydrophobicContact CB-CG1 3.99Å; D24-V27 VanDerWaalsContact O-CG2 3.31Å; D24-V27 WeakPolarHBondContact O-CG2 3.47Å; D24-K29 PolarHBondContact O-NZ 3.43Å; D24-W110 PolarHBondContact OD1-NE1 2.71Å
25	S	87.6	Confident	92	Very high	78 Å²	78	30.9 Å²	30.9	55%	0.545	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	149.9	169	-63.8	0	0	0	0	110.7	V27	S25-V27 PolarHBondContact O-N 2.92Å; S25-V27 VanDerWaalsContact O-N 3.17Å
26	D	89.9	Confident	91.9	Very high	117 Å²	117	30 Å²	30	63%	0.626	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	26.5	177.3	-165.7	29.7	0	0	0	115.8	R129	D26-R129 VanDerWaalsContact O-CZ 3.32Å; D26-R129 PolarHBondContact O-NH1 3.08Å; D26-R129 PolarHBondContact O-NH2 3.39Å; D26-R129 IonicContact OD1-CZ 3.59Å; D26-R129 IonicContact OD1-NH1 3.34Å; D26-R129 IonicContact OD1-NH2 3.58Å; D26-R129 PolarHBondContact OD1-NH2 3.22Å
27	V	94.1	Very high	91.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-86.1	6.4	165.7	-53.1	0	0	0	0	112.8	D24 S25 K29 V95 D97 N128	D24-V27 HydrophobicContact CB-CG1 3.99Å; D24-V27 VanDerWaalsContact O-CG2 3.31Å; D24-V27 WeakPolarHBondContact O-CG2 3.47Å; S25-V27 PolarHBondContact O-N 2.92Å; S25-V27 VanDerWaalsContact O-N 3.17Å; V27-K29 HydrophobicContact CG2-CG 3.94Å; V27-K29 VanDerWaalsContact CG2-NZ 3.29Å; V27-V95 HydrophobicContact CB-CG1 4.29Å; V27-V95 HydrophobicContact CG2-CB 4.04Å; V27-V95 HydrophobicContact CG2-CG1 3.76Å; V27-D97 HydrophobicContact CB-CB 4.42Å; V27-N128 WeakPolarHBondContact O-CB 3.12Å; V27-N128 PolarHBondContact O-ND2 3.06Å
28	G	92.9	Very high	89.8	Confident	7 Å²	7	39.9 Å²	39.9	7%	0.072	22%	0.216	C	C	.	.			trans	72	33.7	179.9	0	0	0	0	0	116.4	G30 E31 I32 N128	G28-G30 VanDerWaalsContact C-N 3.33Å; G28-G30 PolarHBondContact O-N 3.07Å; G28-E31 VanDerWaalsContact CA-OE1 3.31Å; G28-E31 WeakPolarHBondContact CA-OE1 3.34Å; G28-E31 WeakPolarHBondContact O-CB 3.1Å; G28-E31 PolarHBondContact O-N 3.27Å; G28-I32 WeakPolarHBondContact O-CG1 3.43Å; G28-I32 PolarHBondContact O-N 2.86Å; G28-I32 VanDerWaalsContact O-N 3.12Å; G28-N128 WeakPolarHBondContact CA-ND2 3.46Å; G28-N128 PolarHBondContact O-ND2 3.06Å
29	K	92.1	Very high	87.7	Confident	2 Å²	2	40 Å²	40	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-42	172.3	-78.5	-171.4	-71.5	-61.9	0	112.7	L21 G23 D24 V27 I32 L33 D71 S73 V95	L21-K29 HydrophobicContact CB-CB 4.44Å; L21-K29 HydrophobicContact CB-CD 3.55Å; L21-K29 HydrophobicContact CB-CG 4.01Å; L21-K29 HydrophobicContact CD2-CB 4.32Å; L21-K29 HydrophobicContact CD2-CG 4.37Å; L21-K29 VanDerWaalsContact O-CD 3.28Å; L21-K29 WeakPolarHBondContact O-CD 3.15Å; G23-K29 PolarHBondContact O-NZ 3.47Å; D24-K29 PolarHBondContact O-NZ 3.43Å; V27-K29 HydrophobicContact CG2-CG 3.94Å; V27-K29 VanDerWaalsContact CG2-NZ 3.29Å; K29-I32 PolarHBondContact O-N 3.03Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3Å; K29-D71 WeakPolarHBondContact CE-OD1 3.27Å; K29-S73 WeakPolarHBondContact CE-OG 3.45Å; K29-V95 HydrophobicContact CD-CB 4.34Å; K29-V95 HydrophobicContact CD-CG2 4.32Å; K29-V95 HydrophobicContact CG-CB 3.9Å; K29-V95 HydrophobicContact CG-CG1 4.17Å; K29-V95 HydrophobicContact CG-CG2 3.94Å
30	G	90.3	Very high	85.2	Confident	25 Å²	25	43.4 Å²	43.4	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-55.8	-47.7	170.3	0	0	0	0	0	112.7	G28 I32 L33 E34 D71	G28-G30 VanDerWaalsContact C-N 3.33Å; G28-G30 PolarHBondContact O-N 3.07Å; G30-I32 VanDerWaalsContact C-N 3.32Å; G30-I32 PolarHBondContact O-N 3.24Å; G30-L33 CarbonylContact O-C 3.57Å; G30-L33 PolarHBondContact O-N 3.32Å; G30-L33 VanDerWaalsContact O-N 3.1Å; G30-E34 WeakPolarHBondContact O-CB 3.43Å; G30-E34 WeakPolarHBondContact O-CG 3.13Å; G30-E34 PolarHBondContact O-N 3.2Å; G30-D71 PolarHBondContact N-OD2 3.46Å
31	E	92.6	Very high	82.9	Confident	58 Å²	58	49.2 Å²	49.2	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-55	-46.4	177.7	-52.7	162	-162.9	0	0	111.6	G28 E34 S35 N128 R129 P159	G28-E31 VanDerWaalsContact CA-OE1 3.31Å; G28-E31 WeakPolarHBondContact CA-OE1 3.34Å; G28-E31 WeakPolarHBondContact O-CB 3.1Å; G28-E31 PolarHBondContact O-N 3.27Å; E31-E34 PolarHBondContact O-N 3.44Å; E31-S35 WeakPolarHBondContact O-CB 3.31Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 3.39Å; E31-N128 PolarHBondContact OE2-ND2 3.16Å; E31-R129 IonicContact OE1-CZ 3.26Å; E31-R129 VanDerWaalsContact OE1-CZ 3.27Å; E31-R129 IonicContact OE1-NE 2.71Å; E31-R129 PolarHBondContact OE1-NE 2.81Å; E31-R129 IonicContact OE1-NH2 3.54Å; E31-R129 PolarHBondContact OE1-NH2 3.43Å; E31-R129 IonicContact OE2-NE 3.93Å; E31-P159 HydrophobicContact CB-CB 3.97Å; E31-P159 HydrophobicContact CB-CG 3.85Å
32	I	94.2	Very high	80.6	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-48.1	177.4	-66.5	167.8	0	0	0	110.2	L21 G28 K29 G30 S35 L36 V95 V126 N128 V157 P159 I165 F169	L21-I32 HydrophobicContact CD2-CB 4.4Å; L21-I32 HydrophobicContact CD2-CG2 4.13Å; G28-I32 WeakPolarHBondContact O-CG1 3.43Å; G28-I32 PolarHBondContact O-N 2.86Å; G28-I32 VanDerWaalsContact O-N 3.12Å; K29-I32 PolarHBondContact O-N 3.03Å; G30-I32 VanDerWaalsContact C-N 3.32Å; G30-I32 PolarHBondContact O-N 3.24Å; I32-S35 PolarHBondContact O-N 3.01Å; I32-S35 PolarHBondContact O-OG 3.21Å; I32-L36 PolarHBondContact O-N 2.97Å; I32-V95 HydrophobicContact CD1-CG1 3.74Å; I32-V95 HydrophobicContact CD1-CG2 4.14Å; I32-V126 HydrophobicContact CD1-CG1 4.28Å; I32-N128 HydrophobicContact CD1-CB 4.14Å; I32-V157 HydrophobicContact CD1-CG2 4.17Å; I32-V157 HydrophobicContact CG1-CG2 4.37Å; I32-P159 HydrophobicContact CB-CG 4.47Å; I32-P159 HydrophobicContact CG1-CG 3.74Å; I32-I165 HydrophobicContact CG1-CD1 4.29Å; I32-I165 HydrophobicContact CG2-CD1 4.28Å; I32-F169 HydrophobicContact CG2-CE2 3.57Å; I32-F169 HydrophobicContact CG2-CZ 3.71Å
33	L	91.8	Very high	78.1	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-41.8	178.5	-68.4	174.9	0	0	0	112.5	L21 K29 G30 L36 K54 L69 D71	L21-L33 HydrophobicContact CD1-CD2 3.81Å; L21-L33 HydrophobicContact CD2-CD1 4.22Å; L21-L33 HydrophobicContact CD2-CD2 3.72Å; L21-L33 HydrophobicContact CD2-CG 3.69Å; L21-L33 HydrophobicContact CG-CD2 4.43Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3Å; G30-L33 CarbonylContact O-C 3.57Å; G30-L33 PolarHBondContact O-N 3.32Å; G30-L33 VanDerWaalsContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 3.46Å; L33-K54 HydrophobicContact CB-CD 4.39Å; L33-K54 WeakPolarHBondContact O-CD 3.25Å; L33-K54 VanDerWaalsContact O-CE 3.24Å; L33-K54 WeakPolarHBondContact O-CE 3.5Å; L33-K54 PolarHBondContact O-NZ 3.01Å; L33-L69 HydrophobicContact CD2-CB 3.6Å; L33-L69 HydrophobicContact CD2-CD1 3.82Å; L33-L69 HydrophobicContact CD2-CG 4.35Å; L33-D71 HydrophobicContact CD1-CB 3.69Å
34	E	89.5	Confident	75.7	Confident	152 Å²	152	65.4 Å²	65.4	71%	0.71	39%	0.387	S	S	*	.	H	α-helix	trans	-63	-44.6	177.7	-74.6	171.9	-175.2	0	0	111.4	G30 E31 L36 K54	G30-E34 WeakPolarHBondContact O-CB 3.43Å; G30-E34 WeakPolarHBondContact O-CG 3.13Å; G30-E34 PolarHBondContact O-N 3.2Å; E31-E34 PolarHBondContact O-N 3.44Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.43Å; E34-K54 PolarHBondContact O-NZ 3.38Å
35	S	89.1	Confident	73.3	Confident	30 Å²	30	73.3 Å²	73.3	21%	0.21	42%	0.416	C	S	.	.	H	α-helix	trans	-64.8	-22.2	179.8	68	0	0	0	0	115.2	E31 I32 Q37	E31-S35 WeakPolarHBondContact O-CB 3.31Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 3.39Å; I32-S35 PolarHBondContact O-N 3.01Å; I32-S35 PolarHBondContact O-OG 3.21Å; S35-Q37 PolarHBondContact O-N 2.86Å
36	L	87.3	Confident	71.3	Confident	6 Å²	6	72 Å²	72	3%	0.031	41%	0.414	C	S	.	.	S	Bend	trans	-69.6	121.7	172.9	-77.3	165.4	0	0	0	110.8	I32 L33 E34 D38 K54 T56 L69 I165 F169	I32-L36 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 3.46Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.43Å; L36-D38 PolarHBondContact O-N 2.92Å; L36-K54 WeakPolarHBondContact O-CE 3.23Å; L36-K54 PolarHBondContact O-NZ 3.32Å; L36-T56 HydrophobicContact CD1-CG2 4.43Å; L36-L69 HydrophobicContact CD1-CD1 3.45Å; L36-L69 VanDerWaalsContact CD1-CD1 3.45Å; L36-I165 HydrophobicContact CD2-CG2 3.65Å; L36-I165 HydrophobicContact CG-CG2 3.76Å; L36-F169 HydrophobicContact CD1-CD1 4.03Å; L36-F169 HydrophobicContact CD1-CD2 4.34Å; L36-F169 HydrophobicContact CD1-CE1 3.66Å; L36-F169 HydrophobicContact CD1-CE2 3.98Å; L36-F169 HydrophobicContact CD1-CG 4.35Å; L36-F169 HydrophobicContact CD1-CZ 3.62Å
37	Q	77.4	Confident	68.7	Low	157 Å²	157	76.7 Å²	76.7	73%	0.734	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.8	137.9	176.4	-63.6	-178.9	4.6	0	0	111.2	S35 G39 T56	S35-Q37 PolarHBondContact O-N 2.86Å; Q37-G39 PolarHBondContact O-N 3.33Å; Q37-T56 WeakPolarHBondContact O-CB 3.25Å; Q37-T56 PolarHBondContact O-OG1 3.08Å
38	D	65.6	Low	66.4	Low	119 Å²	119	82.1 Å²	82.1	64%	0.636	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-66.3	133.1	173.5	-68.6	-40.2	0	0	0	110	L36 A40 K54	L36-D38 PolarHBondContact O-N 2.92Å; D38-A40 VanDerWaalsContact C-N 3.26Å; D38-A40 PolarHBondContact O-N 3.25Å; D38-K54 WeakPolarHBondContact OD1-CE 3.47Å; D38-K54 IonicContact OD1-NZ 3.44Å; D38-K54 PolarHBondContact OD1-NZ 3.39Å
39	G	51.2	Low	63.8	Low	28 Å²	28	89.7 Å²	89.7	29%	0.289	49%	0.491	S	S	.	.	S	Bend	trans	-73.4	71.4	-171.6	0	0	0	0	0	113.7	Q37	Q37-G39 PolarHBondContact O-N 3.33Å
40	A	41.3	Very low	61.6	Low	72 Å²	72	93.3 Å²	93.3	60%	0.595	53%	0.529	S	S	*	.	S	Bend	trans	51.5	73.2	171	0	0	0	0	0	115.9	D38 E42	D38-A40 VanDerWaalsContact C-N 3.26Å; D38-A40 PolarHBondContact O-N 3.25Å; A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.3Å
41	S	45	Very low	59.9	Low	123 Å²	123	96.3 Å²	96.3	86%	0.86	54%	0.538	S	S	*	.			trans	41.4	37.4	147.9	-51.8	0	0	0	0	119.6	S43	S41-S43 PolarHBondContact O-N 3.29Å
42	E	46.3	Very low	58.8	Low	148 Å²	148	98.2 Å²	98.2	69%	0.692	55%	0.55	S	S	*	*			trans	-75.5	90.3	171.3	-72.4	-93.8	103.3	0	0	110.4	A40	A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.3Å
43	S	40.3	Very low	58	Low	68 Å²	68	101 Å²	101	48%	0.476	56%	0.561	S	S	.	*			trans	94.1	112.4	177.7	-166.4	0	0	0	0	117.3	S41 Y45 G46	S41-S43 PolarHBondContact O-N 3.29Å; S43-Y45 PolarHBondContact O-N 3.15Å; S43-Y45 PolarHBondContact OG-N 3.09Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; S43-G46 PolarHBondContact O-N 3.46Å
44	P	40.6	Very low	57.8	Low	124 Å²	124	102.6 Å²	102.6	81%	0.805	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-11.3	164.1	-21.3	34	0	0	0	114.5
45	Y	39.8	Very low	57.8	Low	209 Å²	209	97.5 Å²	97.5	82%	0.82	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	11.4	177.4	-54.7	-78	0	0	0	112.5	S43 Y47	S43-Y45 PolarHBondContact O-N 3.15Å; S43-Y45 PolarHBondContact OG-N 3.09Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; Y45-Y47 PolarHBondContact O-N 2.75Å
46	G	45	Very low	57.8	Low	49 Å²	49	96.4 Å²	96.4	51%	0.505	54%	0.539	S	S	.	.			trans	-71.3	41.9	-179.8	0	0	0	0	0	115.5	S43 N48	S43-G46 PolarHBondContact O-N 3.46Å; G46-N48 PolarHBondContact O-N 3.35Å; G46-N48 VanDerWaalsContact O-N 3.14Å
47	Y	36.7	Very low	58	Low	217 Å²	217	98 Å²	98	85%	0.851	55%	0.549	S	S	*	.			trans	-67.3	108.8	167.8	-116.9	-92.5	0	0	0	108.5	Y45 L49	Y45-Y47 PolarHBondContact O-N 2.75Å; Y47-L49 PolarHBondContact O-N 3.26Å
48	N	44.5	Very low	58.6	Low	114 Å²	114	91 Å²	91	61%	0.61	52%	0.517	S	S	*	.			trans	-72.7	73	-178.2	-78	-33.5	0	0	0	111.7	G46 G50	G46-N48 PolarHBondContact O-N 3.35Å; G46-N48 VanDerWaalsContact O-N 3.14Å; N48-G50 VanDerWaalsContact C-N 3.29Å; N48-G50 PolarHBondContact O-N 3.14Å
49	L	39.2	Very low	59.6	Low	167 Å²	167	91.3 Å²	91.3	87%	0.874	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	80.6	178.3	-155.1	77.6	0	0	0	110.3	Y47	Y47-L49 PolarHBondContact O-N 3.26Å
50	G	46.4	Very low	61.3	Low	78 Å²	78	90 Å²	90	80%	0.804	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	33.3	173.6	0	0	0	0	0	116.3	N48	N48-G50 VanDerWaalsContact C-N 3.29Å; N48-G50 PolarHBondContact O-N 3.14Å
51	I	53.2	Low	63.2	Low	88 Å²	88	90.7 Å²	90.7	45%	0.451	50%	0.498	S	S	.	.			trans	-121	114.6	176.5	-62	-178	0	0	0	110.7	Y53	I51-Y53 VanDerWaalsContact C-N 3.34Å; I51-Y53 HydrophobicContact CG2-CD1 3.49Å; I51-Y53 VanDerWaalsContact CG2-CD1 3.49Å; I51-Y53 HydrophobicContact CG2-CE1 3.2Å; I51-Y53 HydrophobicContact CG2-CE2 4.35Å; I51-Y53 HydrophobicContact CG2-CG 4.2Å; I51-Y53 PolarHBondContact O-N 2.9Å
52	D	70.1	Confident	64.9	Low	98 Å²	98	87.3 Å²	87.3	52%	0.524	48%	0.482	S	S	.	.			trans	-91.1	42.2	-167.2	-155.6	31.8	0	0	0	113.8	Y85	D52-Y85 PolarHBondContact OD2-OH 2.82Å
53	Y	78.4	Confident	66.7	Low	60 Å²	60	83.4 Å²	83.4	24%	0.235	46%	0.461	C	S	.	.			trans	-152	143.1	175.5	66	-95.8	0	0	0	113.5	I51 T55 Q68 L69 W70	I51-Y53 VanDerWaalsContact C-N 3.34Å; I51-Y53 HydrophobicContact CG2-CD1 3.49Å; I51-Y53 VanDerWaalsContact CG2-CD1 3.49Å; I51-Y53 HydrophobicContact CG2-CE1 3.2Å; I51-Y53 HydrophobicContact CG2-CE2 4.35Å; I51-Y53 HydrophobicContact CG2-CG 4.2Å; I51-Y53 PolarHBondContact O-N 2.9Å; Y53-T55 WeakPolarHBondContact CE2-OG1 3.37Å; Y53-Q68 HydrophobicContact CD2-CB 3.89Å; Y53-Q68 HydrophobicContact CD2-CG 4.06Å; Y53-Q68 HydrophobicContact CE2-CB 4.02Å; Y53-Q68 HydrophobicContact CE2-CG 3.66Å; Y53-Q68 VanDerWaalsContact CZ-NE2 3.3Å; Y53-Q68 PolarHBondContact OH-NE2 3.41Å; Y53-L69 CarbonylContact C-O 3.58Å; Y53-L69 WeakPolarHBondContact CA-O 3.21Å; Y53-L69 WeakPolarHBondContact CB-O 3.23Å; Y53-W70 HydrophobicContact CD1-CD2 4.16Å; Y53-W70 AromaticContact CD1-CE2 3.6Å; Y53-W70 HydrophobicContact CD1-CE3 4.33Å; Y53-W70 AromaticContact CD1-CH2 3.54Å; Y53-W70 HydrophobicContact CD1-CH2 3.54Å; Y53-W70 AromaticContact CD1-CZ2 3.29Å; Y53-W70 HydrophobicContact CD1-CZ2 3.29Å; Y53-W70 HydrophobicContact CD1-CZ3 4.04Å; Y53-W70 HydrophobicContact CE1-CH2 4.05Å; Y53-W70 AromaticContact CE1-CZ2 3.75Å; Y53-W70 HydrophobicContact CE1-CZ2 3.75Å; Y53-W70 HydrophobicContact CG-CD2 4.25Å; Y53-W70 AromaticContact CG-CE2 3.86Å; Y53-W70 HydrophobicContact CG-CZ2 4.04Å
54	K	86.6	Confident	69	Low	48 Å²	48	86.9 Å²	86.9	21%	0.209	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	151.5	170.7	-177.1	164.4	176.3	169.5	0	110.6	L33 E34 L36 D38 L69	L33-K54 HydrophobicContact CB-CD 4.39Å; L33-K54 WeakPolarHBondContact O-CD 3.25Å; L33-K54 VanDerWaalsContact O-CE 3.24Å; L33-K54 WeakPolarHBondContact O-CE 3.5Å; L33-K54 PolarHBondContact O-NZ 3.01Å; E34-K54 PolarHBondContact O-NZ 3.38Å; L36-K54 WeakPolarHBondContact O-CE 3.23Å; L36-K54 PolarHBondContact O-NZ 3.32Å; D38-K54 WeakPolarHBondContact OD1-CE 3.47Å; D38-K54 IonicContact OD1-NZ 3.44Å; D38-K54 PolarHBondContact OD1-NZ 3.39Å; K54-L69 PolarHBondContact N-O 3.15Å; K54-L69 PolarHBondContact O-N 3.25Å
55	T	89.9	Confident	71.5	Confident	45 Å²	45	81 Å²	81	28%	0.276	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125	177.5	-65.8	0	0	0	0	110.8	Y53 K66 L67	Y53-T55 WeakPolarHBondContact CE2-OG1 3.37Å; T55-K66 HydrophobicContact CG2-CD 4.25Å; T55-K66 HydrophobicContact CG2-CG 4.05Å; T55-L67 WeakPolarHBondContact CA-O 3.43Å
56	T	89.8	Confident	74	Confident	7 Å²	7	73.5 Å²	73.5	4%	0.043	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	170.9	171.4	-173.7	0	0	0	0	110.6	L36 Q37 K66 L67 L69	L36-T56 HydrophobicContact CD1-CG2 4.43Å; Q37-T56 WeakPolarHBondContact O-CB 3.25Å; Q37-T56 PolarHBondContact O-OG1 3.08Å; T56-K66 WeakPolarHBondContact O-CA 3.25Å; T56-L67 HydrophobicContact CG2-CB 4.03Å; T56-L67 HydrophobicContact CG2-CD1 4.18Å; T56-L67 HydrophobicContact CG2-CG 4.4Å; T56-L67 PolarHBondContact N-O 3.15Å; T56-L67 VanDerWaalsContact N-O 3.13Å; T56-L67 PolarHBondContact O-N 2.94Å; T56-L69 HydrophobicContact CG2-CD1 3.77Å
57	T	90.5	Very high	76.3	Confident	39 Å²	39	71.2 Å²	71.2	24%	0.239	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	113.7	174.4	-58.6	0	0	0	0	109.7	R64 V65	T57-R64 HydrophobicContact CG2-CB 4.05Å; T57-V65 CarbonylContact C-O 3.57Å; T57-V65 WeakPolarHBondContact CA-O 3.14Å
58	I	90.5	Very high	79	Confident	11 Å²	11	62.9 Å²	62.9	6%	0.056	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	158	175.3	64.2	168.6	0	0	0	110.7	V65 L67 A173	I58-V65 HydrophobicContact CD1-CB 4.42Å; I58-V65 HydrophobicContact CG1-CB 3.85Å; I58-V65 PolarHBondContact N-O 3.36Å; I58-V65 PolarHBondContact O-N 3.5Å; I58-L67 HydrophobicContact CD1-CD1 4.2Å; I58-L67 HydrophobicContact CG1-CD1 4.31Å; I58-L67 HydrophobicContact CG1-CG 4.45Å; I58-L67 HydrophobicContact CG2-CD1 4.07Å; I58-A173 HydrophobicContact CD1-CB 3.84Å
59	L	86.1	Confident	81.3	Confident	124 Å²	124	57.5 Å²	57.5	65%	0.649	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.7	169.5	-174.4	71.4	0	0	0	109	R63	L59-R63 WeakPolarHBondContact CA-O 3.04Å
60	L	86.9	Confident	83.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.8	178.8	-178	72.6	0	0	0	108.9	G62 R63 V65 T170 A173 R174 L177 W186	L60-G62 PolarHBondContact O-N 2.93Å; L60-G62 VanDerWaalsContact O-N 3.07Å; L60-R63 PolarHBondContact N-O 3.16Å; L60-R63 WeakPolarHBondContact O-CB 3.36Å; L60-R63 PolarHBondContact O-N 3.14Å; L60-V65 HydrophobicContact CB-CG2 3.73Å; L60-V65 HydrophobicContact CD2-CG2 4.09Å; L60-T170 HydrophobicContact CD1-CG2 3.39Å; L60-A173 HydrophobicContact CD2-CB 4.16Å; L60-R174 HydrophobicContact CD1-CB 4.28Å; L60-L177 HydrophobicContact CD2-CD1 3.53Å; L60-W186 HydrophobicContact CD1-CH2 3.91Å; L60-W186 HydrophobicContact CD2-CH2 3.7Å; L60-W186 HydrophobicContact CD2-CZ3 3.65Å; L60-W186 HydrophobicContact CG-CH2 3.57Å; L60-W186 HydrophobicContact CG-CZ3 3.91Å
61	D	81.6	Confident	85.4	Confident	86 Å²	86	49.7 Å²	49.7	46%	0.46	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.5	173.7	-69.2	-107.9	0	0	0	113.8	R174 W186	D61-R174 IonicContact OD2-CZ 3.71Å; D61-R174 IonicContact OD2-NE 2.79Å; D61-R174 IonicContact OD2-NH2 3.02Å; D61-R174 PolarHBondContact OD2-NH2 2.62Å; D61-W186 HydrophobicContact CB-CH2 3.86Å; D61-W186 HydrophobicContact CB-CZ2 3.54Å; D61-W186 HydrophobicContact CB-CZ3 4.43Å; D61-W186 WeakPolarHBondContact OD1-CZ2 3.23Å; D61-W186 WeakPolarHBondContact OD2-CH2 3.17Å; D61-W186 WeakPolarHBondContact OD2-CZ2 3.46Å
62	G	80.1	Confident	86.2	Confident	52 Å²	52	46.6 Å²	46.6	54%	0.536	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	1.5	-179.9	0	0	0	0	0	115.6	L60	L60-G62 PolarHBondContact O-N 2.93Å; L60-G62 VanDerWaalsContact O-N 3.07Å
63	R	84.6	Confident	85.7	Confident	66 Å²	66	43.7 Å²	43.7	25%	0.249	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.7	177.5	-64.4	-176.8	175.7	-80.5	0.3	111.8	D14 L59 L60 L185	D14-R63 HydrophobicContact CB-CB 4.08Å; D14-R63 IonicContact OD1-CZ 3.88Å; D14-R63 IonicContact OD1-NH1 3.74Å; D14-R63 PolarHBondContact OD1-NH1 3.48Å; D14-R63 WeakPolarHBondContact OD2-CA 3.3Å; D14-R63 WeakPolarHBondContact OD2-CB 3.32Å; L59-R63 WeakPolarHBondContact CA-O 3.04Å; L60-R63 PolarHBondContact N-O 3.16Å; L60-R63 WeakPolarHBondContact O-CB 3.36Å; L60-R63 PolarHBondContact O-N 3.14Å; R63-L185 PolarHBondContact NH2-O 3.39Å
64	R	88.8	Confident	84.4	Confident	140 Å²	140	44.1 Å²	44.1	53%	0.528	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.8	176.8	-72.9	178.4	179.9	-94.1	-1.9	109.6	A12 D14 F15 T57	A12-R64 VanDerWaalsContact O-CD 3.3Å; A12-R64 WeakPolarHBondContact O-CD 3.42Å; D14-R64 PolarHBondContact N-O 2.61Å; D14-R64 PolarHBondContact OD2-N 3.3Å; F15-R64 PolarHBondContact N-O 3.32Å; T57-R64 HydrophobicContact CG2-CB 4.05Å
65	V	91.6	Very high	82.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.2	179.3	-172.4	0	0	0	0	108.8	F15 L17 T57 I58 L60 L67 A173 L177	F15-V65 HydrophobicContact CB-CG1 4.25Å; F15-V65 HydrophobicContact CD2-CG2 4.15Å; L17-V65 HydrophobicContact CD1-CG1 3.67Å; L17-V65 HydrophobicContact CG-CG1 3.91Å; T57-V65 CarbonylContact C-O 3.57Å; T57-V65 WeakPolarHBondContact CA-O 3.14Å; I58-V65 HydrophobicContact CD1-CB 4.42Å; I58-V65 HydrophobicContact CG1-CB 3.85Å; I58-V65 PolarHBondContact N-O 3.36Å; I58-V65 PolarHBondContact O-N 3.5Å; L60-V65 HydrophobicContact CB-CG2 3.73Å; L60-V65 HydrophobicContact CD2-CG2 4.09Å; V65-L67 HydrophobicContact CG1-CD2 3.81Å; V65-A173 HydrophobicContact CG1-CB 4.44Å; V65-L177 HydrophobicContact CG2-CD1 4.16Å
66	K	93.1	Very high	80.6	Confident	53 Å²	53	49.3 Å²	49.3	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.9	175.9	-170.9	163.9	-172.7	165.6	0	108.9	Y13 F15 L16 L17 T55 T56	Y13-K66 HydrophobicContact CD1-CB 3.96Å; Y13-K66 HydrophobicContact CD1-CD 3.47Å; Y13-K66 VanDerWaalsContact CD1-CD 3.47Å; Y13-K66 HydrophobicContact CD1-CG 4.35Å; Y13-K66 HydrophobicContact CD2-CB 4.18Å; Y13-K66 HydrophobicContact CE1-CD 3.65Å; Y13-K66 HydrophobicContact CG-CB 3.71Å; Y13-K66 HydrophobicContact CG-CD 4.14Å; F15-K66 PolarHBondContact O-N 2.88Å; L16-K66 CarbonylContact C-O 3.55Å; L16-K66 WeakPolarHBondContact CA-O 3.39Å; L16-K66 HydrophobicContact CD1-CB 3.86Å; L16-K66 HydrophobicContact CD1-CD 4.18Å; L16-K66 HydrophobicContact CD1-CG 3.79Å; L17-K66 PolarHBondContact N-O 3.2Å; T55-K66 HydrophobicContact CG2-CD 4.25Å; T55-K66 HydrophobicContact CG2-CG 4.05Å; T56-K66 WeakPolarHBondContact O-CA 3.25Å
67	L	93.9	Very high	78.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.5	-179.7	-53.4	-177.2	0	0	0	109.7	L17 F19 T55 T56 I58 V65 L69 F169	L17-L67 HydrophobicContact CB-CD2 3.93Å; L17-L67 HydrophobicContact CD1-CD2 4.18Å; L17-L67 HydrophobicContact CG-CD2 4.44Å; L17-L67 WeakPolarHBondContact O-CA 2.88Å; F19-L67 HydrophobicContact CD2-CD1 4.27Å; F19-L67 HydrophobicContact CD2-CD2 4.26Å; F19-L67 HydrophobicContact CE2-CD1 3.99Å; F19-L67 HydrophobicContact CE2-CD2 3.69Å; F19-L67 HydrophobicContact CE2-CG 4.43Å; F19-L67 HydrophobicContact CZ-CD2 3.97Å; T55-L67 WeakPolarHBondContact CA-O 3.43Å; T56-L67 HydrophobicContact CG2-CB 4.03Å; T56-L67 HydrophobicContact CG2-CD1 4.18Å; T56-L67 HydrophobicContact CG2-CG 4.4Å; T56-L67 PolarHBondContact N-O 3.15Å; T56-L67 VanDerWaalsContact N-O 3.13Å; T56-L67 PolarHBondContact O-N 2.94Å; I58-L67 HydrophobicContact CD1-CD1 4.2Å; I58-L67 HydrophobicContact CG1-CD1 4.31Å; I58-L67 HydrophobicContact CG1-CG 4.45Å; I58-L67 HydrophobicContact CG2-CD1 4.07Å; V65-L67 HydrophobicContact CG1-CD2 3.81Å; L67-L69 HydrophobicContact CB-CD2 3.71Å; L67-L69 HydrophobicContact CB-CG 4.05Å; L67-L69 HydrophobicContact CD1-CD2 4.33Å; L67-F169 HydrophobicContact CD1-CB 4.11Å; L67-F169 HydrophobicContact CD1-CD1 4.04Å
68	Q	93.1	Very high	76.8	Confident	43 Å²	43	63.4 Å²	63.4	20%	0.201	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.2	166.3	-66.8	177.4	-56.4	0	0	107.9	L16 L17 F19 Y53	L16-Q68 HydrophobicContact CD1-CG 3.95Å; L17-Q68 PolarHBondContact O-N 3.23Å; F19-Q68 PolarHBondContact N-O 3.09Å; Y53-Q68 HydrophobicContact CD2-CB 3.89Å; Y53-Q68 HydrophobicContact CD2-CG 4.06Å; Y53-Q68 HydrophobicContact CE2-CB 4.02Å; Y53-Q68 HydrophobicContact CE2-CG 3.66Å; Y53-Q68 VanDerWaalsContact CZ-NE2 3.3Å; Y53-Q68 PolarHBondContact OH-NE2 3.41Å
69	L	91.7	Very high	75	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109	-167.9	-56	-178.2	0	0	0	109.9	F19 L21 L33 L36 Y53 K54 T56 L67 F169	F19-L69 HydrophobicContact CB-CD2 3.84Å; F19-L69 HydrophobicContact CD2-CD2 3.94Å; F19-L69 HydrophobicContact CG-CD2 4.29Å; L21-L69 HydrophobicContact CD1-CB 4.42Å; L33-L69 HydrophobicContact CD2-CB 3.6Å; L33-L69 HydrophobicContact CD2-CD1 3.82Å; L33-L69 HydrophobicContact CD2-CG 4.35Å; L36-L69 HydrophobicContact CD1-CD1 3.45Å; L36-L69 VanDerWaalsContact CD1-CD1 3.45Å; Y53-L69 CarbonylContact C-O 3.58Å; Y53-L69 WeakPolarHBondContact CA-O 3.21Å; Y53-L69 WeakPolarHBondContact CB-O 3.23Å; K54-L69 PolarHBondContact N-O 3.15Å; K54-L69 PolarHBondContact O-N 3.25Å; T56-L69 HydrophobicContact CG2-CD1 3.77Å; L67-L69 HydrophobicContact CB-CD2 3.71Å; L67-L69 HydrophobicContact CB-CG 4.05Å; L67-L69 HydrophobicContact CD1-CD2 4.33Å; L69-F169 HydrophobicContact CD1-CD1 4.07Å; L69-F169 HydrophobicContact CD1-CE1 3.6Å; L69-F169 HydrophobicContact CD1-CZ 4.49Å; L69-F169 HydrophobicContact CD2-CD1 3.9Å; L69-F169 HydrophobicContact CD2-CE1 3.67Å; L69-F169 HydrophobicContact CG-CE1 4.23Å
70	W	89.3	Confident	73.4	Confident	41 Å²	41	63.9 Å²	63.9	16%	0.155	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124	-180	-56.1	67.5	0	0	0	108.6	F19 L20 L21 Y53 Y85	F19-W70 PolarHBondContact O-N 3.13Å; F19-W70 VanDerWaalsContact O-N 3.07Å; L20-W70 HydrophobicContact CD2-CB 3.65Å; L20-W70 HydrophobicContact CD2-CG 3.94Å; L21-W70 PolarHBondContact N-O 3.31Å; Y53-W70 HydrophobicContact CD1-CD2 4.16Å; Y53-W70 AromaticContact CD1-CE2 3.6Å; Y53-W70 HydrophobicContact CD1-CE3 4.33Å; Y53-W70 AromaticContact CD1-CH2 3.54Å; Y53-W70 HydrophobicContact CD1-CH2 3.54Å; Y53-W70 AromaticContact CD1-CZ2 3.29Å; Y53-W70 HydrophobicContact CD1-CZ2 3.29Å; Y53-W70 HydrophobicContact CD1-CZ3 4.04Å; Y53-W70 HydrophobicContact CE1-CH2 4.05Å; Y53-W70 AromaticContact CE1-CZ2 3.75Å; Y53-W70 HydrophobicContact CE1-CZ2 3.75Å; Y53-W70 HydrophobicContact CG-CD2 4.25Å; Y53-W70 AromaticContact CG-CE2 3.86Å; Y53-W70 HydrophobicContact CG-CZ2 4.04Å; W70-Y85 AromaticContact CE3-CD1 3.66Å; W70-Y85 HydrophobicContact CE3-CD1 3.66Å; W70-Y85 HydrophobicContact CE3-CD2 4.15Å; W70-Y85 AromaticContact CE3-CE1 3.79Å; W70-Y85 HydrophobicContact CE3-CE1 3.79Å; W70-Y85 HydrophobicContact CE3-CE2 4.22Å; W70-Y85 AromaticContact CE3-CG 3.88Å; W70-Y85 HydrophobicContact CE3-CG 3.88Å; W70-Y85 AromaticContact CZ3-CD1 3.69Å; W70-Y85 HydrophobicContact CZ3-CD1 3.69Å; W70-Y85 AromaticContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CG 4.38Å
71	D	84.1	Confident	72.2	Confident	41 Å²	41	66.2 Å²	66.2	22%	0.219	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.3	165.7	-157.1	-29.9	0	0	0	108.6	K29 G30 L33 S73	K29-D71 WeakPolarHBondContact CE-OD1 3.27Å; G30-D71 PolarHBondContact N-OD2 3.46Å; L33-D71 HydrophobicContact CD1-CB 3.69Å; D71-S73 VanDerWaalsContact CG-OG 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.91Å; D71-S73 PolarHBondContact OD1-OG 3.03Å; D71-S73 PolarHBondContact OD2-OG 2.96Å
72	T	70	Confident	71.7	Confident	22 Å²	22	62.7 Å²	62.7	14%	0.135	35%	0.345	C	S	.	.			trans	-118.5	16.7	170.5	85.6	0	0	0	0	112.9	L20 L21 V22 F82 Y85	L20-T72 HydrophobicContact CB-CG2 4.4Å; L21-T72 PolarHBondContact O-N 3.08Å; L21-T72 PolarHBondContact O-OG1 3.21Å; V22-T72 HydrophobicContact CG2-CG2 4.41Å; T72-F82 HydrophobicContact CG2-CD2 4.25Å; T72-Y85 HydrophobicContact CG2-CD2 4.45Å
73	S	59.8	Low	71.3	Confident	37 Å²	37	66.2 Å²	66.2	26%	0.259	34%	0.342	S	S	.	.			trans	-87.8	179	164.4	57.6	0	0	0	0	112.7	K29 D71 Q75	K29-S73 WeakPolarHBondContact CE-OG 3.45Å; D71-S73 VanDerWaalsContact CG-OG 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.91Å; D71-S73 PolarHBondContact OD1-OG 3.03Å; D71-S73 PolarHBondContact OD2-OG 2.96Å; S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 3.17Å
74	G	49.9	Very low	70.9	Confident	70 Å²	70	66.8 Å²	66.8	72%	0.722	36%	0.356	S	S	*	.	S	Bend	trans	88.7	-47.2	-178.7	0	0	0	0	0	113.6	G76	G74-G76 PolarHBondContact O-N 3.46Å
75	Q	47.6	Very low	70.3	Confident	125 Å²	125	62 Å²	62	58%	0.584	34%	0.338	S	S	*	.			trans	-92.4	87.5	178	-62.1	-136.2	40.8	0	0	112.5	S73 R77 I81	S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 3.17Å; Q75-R77 PolarHBondContact O-N 2.91Å; Q75-I81 HydrophobicContact CB-CD1 3.93Å; Q75-I81 HydrophobicContact CG-CD1 4.05Å; Q75-I81 VanDerWaalsContact OE1-CD1 3.29Å
76	G	50.3	Low	69.7	Low	77 Å²	77	62.2 Å²	62.2	79%	0.794	34%	0.339	S	S	*	.			trans	-66.8	33.2	162.3	0	0	0	0	0	113.8	G74	G74-G76 PolarHBondContact O-N 3.46Å
77	R	50.6	Low	69.2	Low	179 Å²	179	69.6 Å²	69.6	68%	0.675	37%	0.366	S	S	*	.	S	Bend	trans	-138.6	96.5	-174.2	-72.5	-169.7	177.3	124.2	2.5	110.2	Q75	Q75-R77 PolarHBondContact O-N 2.91Å
78	F	49.8	Very low	68.9	Low	162 Å²	162	72.2 Å²	72.2	71%	0.711	39%	0.393	S	S	*	.			trans	71.9	128.1	164.8	-39.5	-69	0	0	0	117.5	T80 I81	F78-T80 PolarHBondContact O-N 2.86Å; F78-I81 PolarHBondContact O-N 3.31Å
79	C	51.8	Low	68.9	Low	47 Å²	47	70.7 Å²	70.7	32%	0.318	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-9.6	173.2	-45.1	0	0	0	0	113.1	I81 F82 R83 E113	C79-I81 VanDerWaalsContact C-N 3.25Å; C79-I81 PolarHBondContact O-N 3.19Å; C79-F82 PolarHBondContact O-N 3.28Å; C79-R83 WeakPolarHBondContact O-CB 3.42Å; C79-R83 VanDerWaalsContact O-CG 3.28Å; C79-R83 WeakPolarHBondContact O-CG 3.43Å; C79-R83 PolarHBondContact O-N 3.13Å; C79-E113 PolarHBondContact SG-OE1 2.95Å
80	T	52	Low	69	Low	99 Å²	99	73.3 Å²	73.3	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-52.1	-37.6	169.8	-45.6	0	0	0	0	113.5	F78 S84	F78-T80 PolarHBondContact O-N 2.86Å; T80-S84 PolarHBondContact O-N 3.08Å
81	I	63.1	Low	69.4	Low	50 Å²	50	71.4 Å²	71.4	26%	0.256	39%	0.393	S	S	.	.	H	α-helix	trans	-74.2	-45.8	178.2	-62.4	177	0	0	0	109.9	Q75 F78 C79 R83 S84 Y85	Q75-I81 HydrophobicContact CB-CD1 3.93Å; Q75-I81 HydrophobicContact CG-CD1 4.05Å; Q75-I81 VanDerWaalsContact OE1-CD1 3.29Å; F78-I81 PolarHBondContact O-N 3.31Å; C79-I81 VanDerWaalsContact C-N 3.25Å; C79-I81 PolarHBondContact O-N 3.19Å; I81-R83 VanDerWaalsContact C-N 3.29Å; I81-R83 PolarHBondContact O-N 2.9Å; I81-S84 VanDerWaalsContact O-CB 3.32Å; I81-S84 WeakPolarHBondContact O-CB 3.44Å; I81-S84 PolarHBondContact O-N 2.84Å; I81-Y85 HydrophobicContact CG2-CD2 4.08Å; I81-Y85 HydrophobicContact CG2-CE2 3.7Å; I81-Y85 PolarHBondContact O-N 3.19Å; I81-Y85 VanDerWaalsContact O-N 3.15Å
82	F	71	Confident	69.9	Low	13 Å²	13	69.4 Å²	69.4	6%	0.057	38%	0.382	C	S	.	.	H	α-helix	trans	-56.4	-42.1	173.4	-178	-99.5	0	0	0	112.1	L20 V22 T72 C79 S84 Y85 S86 E113 I114 H117	L20-F82 HydrophobicContact CD1-CE2 4.13Å; V22-F82 HydrophobicContact CG1-CE2 4.13Å; V22-F82 HydrophobicContact CG2-CE2 3.81Å; T72-F82 HydrophobicContact CG2-CD2 4.25Å; C79-F82 PolarHBondContact O-N 3.28Å; F82-S84 VanDerWaalsContact C-N 3.27Å; F82-S84 PolarHBondContact O-N 2.59Å; F82-Y85 PolarHBondContact O-N 2.79Å; F82-Y85 VanDerWaalsContact O-N 3.11Å; F82-S86 VanDerWaalsContact O-CB 3.29Å; F82-S86 WeakPolarHBondContact O-CB 3.44Å; F82-S86 PolarHBondContact O-N 3.02Å; F82-S86 PolarHBondContact O-OG 3.27Å; F82-E113 HydrophobicContact CD1-CB 4.33Å; F82-E113 HydrophobicContact CE1-CB 4.03Å; F82-E113 WeakPolarHBondContact CE1-O 3.26Å; F82-I114 HydrophobicContact CE2-CG1 4.49Å; F82-I114 HydrophobicContact CZ-CB 4.49Å; F82-I114 HydrophobicContact CZ-CG1 3.76Å; F82-H117 HydrophobicContact CD1-CB 4.45Å; F82-H117 AromaticContact CD1-ND1 3.87Å; F82-H117 HydrophobicContact CE1-CB 4.06Å; F82-H117 AromaticContact CE1-ND1 3.88Å
83	R	72.1	Confident	71.2	Confident	126 Å²	126	68.4 Å²	68.4	48%	0.475	38%	0.376	S	S	.	.	H	α-helix	trans	-57.5	-33.4	173.6	-78.8	168.1	173.2	-167.8	-8.8	114	C79 I81 S86 E116 H117	C79-R83 WeakPolarHBondContact O-CB 3.42Å; C79-R83 VanDerWaalsContact O-CG 3.28Å; C79-R83 WeakPolarHBondContact O-CG 3.43Å; C79-R83 PolarHBondContact O-N 3.13Å; I81-R83 VanDerWaalsContact C-N 3.29Å; I81-R83 PolarHBondContact O-N 2.9Å; R83-S86 PolarHBondContact O-OG 3.21Å; R83-E116 IonicContact CZ-OE1 3.94Å; R83-E116 IonicContact NH2-OE1 2.77Å; R83-E116 PolarHBondContact NH2-OE1 3.07Å; R83-H117 VanDerWaalsContact CG-CD2 3.43Å; R83-H117 WeakPolarHBondContact CG-CD2 3.12Å; R83-H117 PolarHBondContact NE-NE2 3.41Å; R83-H117 PolarHBondContact NH2-NE2 3.06Å; R83-H117 VanDerWaalsContact NH2-NE2 3.15Å
84	S	74.9	Confident	73	Confident	77 Å²	77	66.7 Å²	66.7	54%	0.538	36%	0.364	S	S	.	.	H	α-helix	trans	-71.5	-43.8	174.8	-167.8	0	0	0	0	110.9	T80 I81 F82	T80-S84 PolarHBondContact O-N 3.08Å; I81-S84 VanDerWaalsContact O-CB 3.32Å; I81-S84 WeakPolarHBondContact O-CB 3.44Å; I81-S84 PolarHBondContact O-N 2.84Å; F82-S84 VanDerWaalsContact C-N 3.27Å; F82-S84 PolarHBondContact O-N 2.59Å
85	Y	76.4	Confident	75.2	Confident	39 Å²	39	63.3 Å²	63.3	15%	0.153	33%	0.329	C	S	.	.	H	α-helix	trans	-82.1	-30.7	-174.3	-59.8	-15.7	0	0	0	113.2	K18 D52 W70 T72 I81 F82 R87	K18-Y85 WeakPolarHBondContact CE-O 3.44Å; K18-Y85 PolarHBondContact NZ-O 3.42Å; D52-Y85 PolarHBondContact OD2-OH 2.82Å; W70-Y85 AromaticContact CE3-CD1 3.66Å; W70-Y85 HydrophobicContact CE3-CD1 3.66Å; W70-Y85 HydrophobicContact CE3-CD2 4.15Å; W70-Y85 AromaticContact CE3-CE1 3.79Å; W70-Y85 HydrophobicContact CE3-CE1 3.79Å; W70-Y85 HydrophobicContact CE3-CE2 4.22Å; W70-Y85 AromaticContact CE3-CG 3.88Å; W70-Y85 HydrophobicContact CE3-CG 3.88Å; W70-Y85 AromaticContact CZ3-CD1 3.69Å; W70-Y85 HydrophobicContact CZ3-CD1 3.69Å; W70-Y85 AromaticContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CG 4.38Å; T72-Y85 HydrophobicContact CG2-CD2 4.45Å; I81-Y85 HydrophobicContact CG2-CD2 4.08Å; I81-Y85 HydrophobicContact CG2-CE2 3.7Å; I81-Y85 PolarHBondContact O-N 3.19Å; I81-Y85 VanDerWaalsContact O-N 3.15Å; F82-Y85 PolarHBondContact O-N 2.79Å; F82-Y85 VanDerWaalsContact O-N 3.11Å; Y85-R87 PolarHBondContact O-N 2.78Å
86	S	78.9	Confident	77.6	Confident	5 Å²	5	57.4 Å²	57.4	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-32.2	172.9	74.8	0	0	0	0	112.9	F82 R83 G88 A89 H117	F82-S86 VanDerWaalsContact O-CB 3.29Å; F82-S86 WeakPolarHBondContact O-CB 3.44Å; F82-S86 PolarHBondContact O-N 3.02Å; F82-S86 PolarHBondContact O-OG 3.27Å; R83-S86 PolarHBondContact O-OG 3.21Å; S86-G88 PolarHBondContact O-N 2.84Å; S86-G88 VanDerWaalsContact O-N 3.09Å; S86-A89 VanDerWaalsContact O-CB 3.31Å; S86-A89 WeakPolarHBondContact O-CB 3.38Å; S86-A89 PolarHBondContact O-N 2.98Å; S86-H117 WeakPolarHBondContact OG-CB 3.41Å; S86-H117 PolarHBondContact OG-O 3.26Å; S86-H117 VanDerWaalsContact OG-O 3.14Å
87	R	83.6	Confident	79.9	Confident	208 Å²	208	53.9 Å²	53.9	79%	0.785	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	114.9	178.8	-178.6	168.3	163.6	74.4	0.3	110.7	K18 Y85 A89	K18-R87 PolarHBondContact NZ-O 3.42Å; Y85-R87 PolarHBondContact O-N 2.78Å; R87-A89 VanDerWaalsContact C-N 3.3Å; R87-A89 PolarHBondContact O-N 3.46Å
88	G	86.9	Confident	82.2	Confident	56 Å²	56	45.4 Å²	45.4	58%	0.577	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	14.5	-177.7	0	0	0	0	0	114.6	S86 Q90	S86-G88 PolarHBondContact O-N 2.84Å; S86-G88 VanDerWaalsContact O-N 3.09Å; G88-Q90 PolarHBondContact O-N 3Å
89	A	92.6	Very high	84.5	Confident	10 Å²	10	38.8 Å²	38.8	8%	0.083	21%	0.205	C	C	.	.			trans	-61.1	132.4	165.7	0	0	0	0	0	109.7	L20 S86 R87 V121	L20-A89 HydrophobicContact CD1-CB 3.86Å; L20-A89 HydrophobicContact CD2-CB 4.42Å; L20-A89 HydrophobicContact CG-CB 3.82Å; S86-A89 VanDerWaalsContact O-CB 3.31Å; S86-A89 WeakPolarHBondContact O-CB 3.38Å; S86-A89 PolarHBondContact O-N 2.98Å; R87-A89 VanDerWaalsContact C-N 3.3Å; R87-A89 PolarHBondContact O-N 3.46Å; A89-V121 WeakPolarHBondContact O-CG2 3.31Å
90	Q	95.2	Very high	86.7	Confident	56 Å²	56	38.9 Å²	38.9	26%	0.262	20%	0.203	S	C	.	.			trans	-103.2	-20.2	-178.9	-66.5	171.2	-92.3	0	0	112.3	K18 G88 P122 V176	K18-Q90 PolarHBondContact O-N 2.87Å; G88-Q90 PolarHBondContact O-N 3Å; Q90-P122 VanDerWaalsContact O-CD 3.29Å; Q90-P122 WeakPolarHBondContact O-CD 3.31Å; Q90-V176 HydrophobicContact CB-CG1 3.99Å; Q90-V176 WeakPolarHBondContact O-CG2 3.43Å
91	G	96.4	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157.2	173.2	0	0	0	0	0	111	K18 F19 L20 P122	K18-G91 PolarHBondContact O-N 3.49Å; F19-G91 VanDerWaalsContact CA-O 3.31Å; F19-G91 WeakPolarHBondContact CA-O 3.15Å; L20-G91 PolarHBondContact N-O 3.36Å; G91-P122 CarbonylContact C-O 3.59Å; G91-P122 WeakPolarHBondContact CA-O 3.35Å
92	V	96	Very high	90.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.9	178.6	-176.1	0	0	0	0	111.4	L20 V22 I114 V121 P122 K123 I124	L20-V92 WeakPolarHBondContact O-CA 3.28Å; V22-V92 HydrophobicContact CB-CG1 4.01Å; V22-V92 HydrophobicContact CG2-CG1 3.55Å; V92-I114 HydrophobicContact CB-CD1 4.4Å; V92-I114 HydrophobicContact CG1-CD1 3.63Å; V92-I114 HydrophobicContact CG1-CG1 4.27Å; V92-I114 HydrophobicContact CG2-CG2 4.14Å; V92-V121 HydrophobicContact CG2-CG1 4.04Å; V92-P122 PolarHBondContact N-O 3.28Å; V92-K123 CarbonylContact O-C 3.5Å; V92-K123 VanDerWaalsContact O-CA 3.3Å; V92-K123 WeakPolarHBondContact O-CA 3.32Å; V92-I124 PolarHBondContact O-N 2.85Å
93	I	97.2	Very high	91.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.1	173.8	-53.8	179.1	0	0	0	107.5	L20 L21 V22 V95 I124 V126 F169 L172	L20-I93 PolarHBondContact O-N 3.07Å; L21-I93 HydrophobicContact CD1-CD1 4.28Å; L21-I93 HydrophobicContact CG-CB 4.3Å; L21-I93 HydrophobicContact CG-CD1 4.33Å; V22-I93 PolarHBondContact N-O 2.88Å; I93-V95 HydrophobicContact CG2-CG2 3.76Å; I93-I124 HydrophobicContact CB-CG1 4.28Å; I93-I124 HydrophobicContact CG1-CD1 4.14Å; I93-I124 HydrophobicContact CG1-CG1 4.06Å; I93-I124 HydrophobicContact CG2-CD1 4.24Å; I93-I124 HydrophobicContact CG2-CG1 4.07Å; I93-V126 HydrophobicContact CG2-CB 4.04Å; I93-V126 HydrophobicContact CG2-CG2 3.54Å; I93-F169 HydrophobicContact CD1-CD1 3.64Å; I93-F169 HydrophobicContact CD1-CD2 3.94Å; I93-F169 HydrophobicContact CD1-CE1 3.3Å; I93-F169 HydrophobicContact CD1-CE2 3.66Å; I93-F169 HydrophobicContact CD1-CG 3.95Å; I93-F169 HydrophobicContact CD1-CZ 3.33Å; I93-L172 HydrophobicContact CD1-CD2 4.22Å; I93-L172 HydrophobicContact CG1-CD2 3.54Å
94	L	96.6	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.1	174.6	-72.6	166.4	0	0	0	108.7	V22 I107 W110 I111 I114 K123 I124 L125 V126	V22-L94 WeakPolarHBondContact O-CA 3.01Å; L94-I107 HydrophobicContact CB-CD1 4.35Å; L94-I107 HydrophobicContact CB-CG2 4.46Å; L94-I107 HydrophobicContact CD1-CG2 4.11Å; L94-I107 HydrophobicContact CD2-CG2 4.32Å; L94-W110 HydrophobicContact CD2-CB 3.92Å; L94-I111 HydrophobicContact CD1-CD1 4.15Å; L94-I111 HydrophobicContact CD1-CG1 3.72Å; L94-I111 HydrophobicContact CD2-CG1 4.38Å; L94-I114 HydrophobicContact CD2-CD1 3.57Å; L94-I114 HydrophobicContact CG-CD1 4.29Å; L94-K123 HydrophobicContact CD1-CB 4.3Å; L94-K123 HydrophobicContact CD1-CD 4.24Å; L94-I124 WeakPolarHBondContact CB-O 3.32Å; L94-I124 PolarHBondContact N-O 2.83Å; L94-L125 HydrophobicContact CB-CD1 3.98Å; L94-V126 PolarHBondContact O-N 3.43Å
95	V	97.1	Very high	93.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.8	-174.4	-172.3	0	0	0	0	111	V22 V27 K29 I32 I93 V126 N128	V22-V95 PolarHBondContact O-N 3.01Å; V27-V95 HydrophobicContact CB-CG1 4.29Å; V27-V95 HydrophobicContact CG2-CB 4.04Å; V27-V95 HydrophobicContact CG2-CG1 3.76Å; K29-V95 HydrophobicContact CD-CB 4.34Å; K29-V95 HydrophobicContact CD-CG2 4.32Å; K29-V95 HydrophobicContact CG-CB 3.9Å; K29-V95 HydrophobicContact CG-CG1 4.17Å; K29-V95 HydrophobicContact CG-CG2 3.94Å; I32-V95 HydrophobicContact CD1-CG1 3.74Å; I32-V95 HydrophobicContact CD1-CG2 4.14Å; I93-V95 HydrophobicContact CG2-CG2 3.76Å; V95-V126 WeakPolarHBondContact CA-O 3.42Å; V95-V126 HydrophobicContact CG2-CB 4.38Å; V95-N128 HydrophobicContact CG1-CB 4.01Å
96	Y	98.1	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	169.6	165.5	74.4	-83.2	0	0	0	109.9	I98 S103 F104 L125 V126 G127 N128 V138 A143 F154	Y96-I98 HydrophobicContact CE2-CB 4.49Å; Y96-I98 HydrophobicContact CE2-CG2 3.89Å; Y96-S103 WeakPolarHBondContact CB-O 3.21Å; Y96-F104 AromaticContact CD1-CD2 3.9Å; Y96-F104 HydrophobicContact CD1-CD2 3.9Å; Y96-F104 HydrophobicContact CD2-CB 3.76Å; Y96-F104 AromaticContact CD2-CD2 3.79Å; Y96-F104 HydrophobicContact CD2-CD2 3.79Å; Y96-F104 HydrophobicContact CD2-CG 4.26Å; Y96-F104 AromaticContact CE1-CD2 3.82Å; Y96-F104 HydrophobicContact CE1-CD2 3.82Å; Y96-F104 HydrophobicContact CE1-CE2 4.24Å; Y96-F104 HydrophobicContact CE2-CB 4.33Å; Y96-F104 AromaticContact CE2-CD2 3.73Å; Y96-F104 HydrophobicContact CE2-CD2 3.73Å; Y96-F104 HydrophobicContact CE2-CG 4.45Å; Y96-F104 HydrophobicContact CG-CB 4.07Å; Y96-F104 AromaticContact CG-CD2 3.9Å; Y96-F104 HydrophobicContact CG-CD2 3.9Å; Y96-F104 HydrophobicContact CG-CG 4.5Å; Y96-F104 AromaticContact CZ-CD2 3.76Å; Y96-L125 HydrophobicContact CD1-CD1 3.97Å; Y96-L125 HydrophobicContact CD1-CG 4.35Å; Y96-L125 HydrophobicContact CE1-CD1 4.17Å; Y96-L125 HydrophobicContact CE1-CD2 4.27Å; Y96-L125 HydrophobicContact CE1-CG 4.04Å; Y96-V126 WeakPolarHBondContact CD1-O 3.49Å; Y96-V126 PolarHBondContact N-O 2.73Å; Y96-G127 VanDerWaalsContact CZ-CA 3.41Å; Y96-N128 WeakPolarHBondContact O-CB 3.48Å; Y96-N128 PolarHBondContact O-N 2.82Å; Y96-V138 HydrophobicContact CE2-CB 4.08Å; Y96-V138 HydrophobicContact CE2-CG1 3.99Å; Y96-V138 HydrophobicContact CE2-CG2 4.28Å; Y96-A143 WeakPolarHBondContact OH-CB 3.38Å; Y96-F154 HydrophobicContact CE1-CE2 4.01Å; Y96-F154 VanDerWaalsContact OH-CE2 3.31Å; Y96-F154 WeakPolarHBondContact OH-CE2 3.32Å; Y96-F154 WeakPolarHBondContact OH-CZ 3.34Å
97	D	98.2	Very high	95.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	174.5	171.2	-4.7	0	0	0	109.6	V27 T99 N100 S103 R129	V27-D97 HydrophobicContact CB-CB 4.42Å; D97-T99 VanDerWaalsContact CG-OG1 3.26Å; D97-T99 PolarHBondContact O-N 3.48Å; D97-T99 WeakPolarHBondContact OD1-CA 3.35Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.36Å; D97-T99 PolarHBondContact OD1-OG1 2.9Å; D97-T99 PolarHBondContact OD2-OG1 3.48Å; D97-N100 HydrophobicContact CB-CB 4.12Å; D97-N100 PolarHBondContact O-N 3.46Å; D97-S103 PolarHBondContact N-OG 2.61Å; D97-S103 PolarHBondContact O-OG 3.1Å; D97-R129 WeakPolarHBondContact OD2-CD 3.42Å; D97-R129 IonicContact OD2-CZ 2.77Å; D97-R129 IonicContact OD2-NE 2.73Å; D97-R129 IonicContact OD2-NH1 3.65Å; D97-R129 PolarHBondContact OD2-NH1 3.41Å
98	I	98.7	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.2	-178.6	69	161.9	0	0	0	113.5	Y96 N128 L130 A133 R136 Q137 V138	Y96-I98 HydrophobicContact CE2-CB 4.49Å; Y96-I98 HydrophobicContact CE2-CG2 3.89Å; I98-N128 PolarHBondContact N-O 3.38Å; I98-N128 VanDerWaalsContact N-O 3.11Å; I98-L130 HydrophobicContact CD1-CD1 4.2Å; I98-A133 HydrophobicContact CD1-CB 4.19Å; I98-R136 WeakPolarHBondContact O-CA 3.3Å; I98-Q137 PolarHBondContact O-N 2.81Å; I98-V138 PolarHBondContact O-N 2.95Å
99	T	98.6	Very high	96.2	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.141	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.1	177.9	73.4	0	0	0	0	114	D97 L132 K135 Q137	D97-T99 VanDerWaalsContact CG-OG1 3.26Å; D97-T99 PolarHBondContact O-N 3.48Å; D97-T99 WeakPolarHBondContact OD1-CA 3.35Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.36Å; D97-T99 PolarHBondContact OD1-OG1 2.9Å; D97-T99 PolarHBondContact OD2-OG1 3.48Å; T99-L132 HydrophobicContact CG2-CB 3.53Å; T99-L132 HydrophobicContact CG2-CD1 4.34Å; T99-L132 WeakPolarHBondContact CG2-O 3.34Å; T99-K135 HydrophobicContact CG2-CB 3.84Å; T99-Q137 VanDerWaalsContact O-CG 3.3Å; T99-Q137 WeakPolarHBondContact O-CG 3.28Å; T99-Q137 PolarHBondContact O-NE2 2.88Å; T99-Q137 PolarHBondContact O-OE1 3.1Å
100	N	97.8	Very high	96.2	Very high	50 Å²	50	36.4 Å²	36.4	27%	0.267	16%	0.164	S	C	.	.			trans	-128.4	98.2	178.8	179.4	-0.7	0	0	0	111	D97 W102 S103	D97-N100 HydrophobicContact CB-CB 4.12Å; D97-N100 PolarHBondContact O-N 3.46Å; N100-W102 VanDerWaalsContact C-N 3.3Å; N100-W102 PolarHBondContact O-N 3.45Å; N100-W102 PolarHBondContact OD1-N 3.08Å; N100-S103 PolarHBondContact O-N 2.92Å; N100-S103 VanDerWaalsContact O-N 3.12Å; N100-S103 PolarHBondContact O-OG 2.92Å
101	R	97.8	Very high	96	Very high	81 Å²	81	34.8 Å²	34.8	31%	0.306	16%	0.156	S	C	.	.	H	α-helix	trans	-54.6	-41.8	-177.7	178.1	57	-170.7	-135.8	14.7	113.7	S103 F104 D105 Q137 Q142	R101-S103 PolarHBondContact O-N 2.93Å; R101-F104 WeakPolarHBondContact O-CB 3.31Å; R101-F104 PolarHBondContact O-N 3.25Å; R101-D105 WeakPolarHBondContact CD-OD2 3.38Å; R101-D105 WeakPolarHBondContact CG-OD2 3.46Å; R101-D105 IonicContact CZ-OD1 3.66Å; R101-D105 IonicContact CZ-OD2 2.73Å; R101-D105 VanDerWaalsContact NE-CG 3.27Å; R101-D105 IonicContact NE-OD1 3.94Å; R101-D105 PolarHBondContact NE-OD1 3.46Å; R101-D105 IonicContact NE-OD2 2.94Å; R101-D105 PolarHBondContact NE-OD2 3.24Å; R101-D105 IonicContact NH2-OD1 2.74Å; R101-D105 PolarHBondContact NH2-OD1 3.1Å; R101-D105 IonicContact NH2-OD2 2.74Å; R101-D105 PolarHBondContact O-N 2.93Å; R101-D105 VanDerWaalsContact O-N 3.12Å; R101-Q137 HydrophobicContact CB-CB 4.04Å; R101-Q142 VanDerWaalsContact NH2-NE2 3.12Å
102	W	96.5	Very high	95.8	Very high	203 Å²	203	41.4 Å²	41.4	77%	0.769	19%	0.185	S	C	*	.	H	α-helix	trans	-60.3	-35.5	-178.4	-60.7	95	0	0	0	112.2	N100 F104 D105 G106	N100-W102 VanDerWaalsContact C-N 3.3Å; N100-W102 PolarHBondContact O-N 3.45Å; N100-W102 PolarHBondContact OD1-N 3.08Å; W102-F104 VanDerWaalsContact C-N 3.27Å; W102-F104 PolarHBondContact O-N 3.43Å; W102-D105 PolarHBondContact O-N 3.35Å; W102-G106 PolarHBondContact O-N 2.89Å
103	S	96.1	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-26.5	178.4	74.6	0	0	0	0	113.6	Y96 D97 N100 R101	Y96-S103 WeakPolarHBondContact CB-O 3.21Å; D97-S103 PolarHBondContact N-OG 2.61Å; D97-S103 PolarHBondContact O-OG 3.1Å; N100-S103 PolarHBondContact O-N 2.92Å; N100-S103 VanDerWaalsContact O-N 3.12Å; N100-S103 PolarHBondContact O-OG 2.92Å; R101-S103 PolarHBondContact O-N 2.93Å
104	F	98.3	Very high	95.1	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-79.9	-48.2	174.4	177.4	-89.7	0	0	0	111.3	Y96 R101 W102 G106 I107 L125 V138 A143 Y146	Y96-F104 AromaticContact CD1-CD2 3.9Å; Y96-F104 HydrophobicContact CD1-CD2 3.9Å; Y96-F104 HydrophobicContact CD2-CB 3.76Å; Y96-F104 AromaticContact CD2-CD2 3.79Å; Y96-F104 HydrophobicContact CD2-CD2 3.79Å; Y96-F104 HydrophobicContact CD2-CG 4.26Å; Y96-F104 AromaticContact CE1-CD2 3.82Å; Y96-F104 HydrophobicContact CE1-CD2 3.82Å; Y96-F104 HydrophobicContact CE1-CE2 4.24Å; Y96-F104 HydrophobicContact CE2-CB 4.33Å; Y96-F104 AromaticContact CE2-CD2 3.73Å; Y96-F104 HydrophobicContact CE2-CD2 3.73Å; Y96-F104 HydrophobicContact CE2-CG 4.45Å; Y96-F104 HydrophobicContact CG-CB 4.07Å; Y96-F104 AromaticContact CG-CD2 3.9Å; Y96-F104 HydrophobicContact CG-CD2 3.9Å; Y96-F104 HydrophobicContact CG-CG 4.5Å; Y96-F104 AromaticContact CZ-CD2 3.76Å; R101-F104 WeakPolarHBondContact O-CB 3.31Å; R101-F104 PolarHBondContact O-N 3.25Å; W102-F104 VanDerWaalsContact C-N 3.27Å; W102-F104 PolarHBondContact O-N 3.43Å; F104-G106 PolarHBondContact O-N 3.09Å; F104-I107 WeakPolarHBondContact O-CB 3.49Å; F104-I107 VanDerWaalsContact O-CG1 3.3Å; F104-I107 WeakPolarHBondContact O-CG1 3.28Å; F104-I107 PolarHBondContact O-N 2.71Å; F104-L125 HydrophobicContact CE2-CD2 4.41Å; F104-V138 HydrophobicContact CB-CG1 4.46Å; F104-V138 HydrophobicContact CB-CG2 3.73Å; F104-V138 HydrophobicContact CD1-CG1 4.3Å; F104-V138 HydrophobicContact CD2-CG1 3.76Å; F104-V138 HydrophobicContact CE2-CG1 3.99Å; F104-V138 HydrophobicContact CG-CG1 3.91Å; F104-V138 HydrophobicContact CG-CG2 4.04Å; F104-V138 HydrophobicContact CZ-CG1 4.37Å; F104-A143 HydrophobicContact CE2-CB 3.83Å; F104-A143 HydrophobicContact CZ-CB 4.48Å; F104-Y146 HydrophobicContact CE1-CD1 4.46Å; F104-Y146 HydrophobicContact CE1-CG 4.42Å; F104-Y146 AromaticContact CE2-CD1 3.91Å; F104-Y146 HydrophobicContact CE2-CD1 3.91Å; F104-Y146 HydrophobicContact CE2-CE1 4.5Å; F104-Y146 HydrophobicContact CE2-CG 4.45Å; F104-Y146 AromaticContact CZ-CD1 3.62Å; F104-Y146 HydrophobicContact CZ-CD1 3.62Å; F104-Y146 HydrophobicContact CZ-CD2 4.5Å; F104-Y146 HydrophobicContact CZ-CE1 4.32Å; F104-Y146 AromaticContact CZ-CG 3.73Å; F104-Y146 HydrophobicContact CZ-CG 3.73Å
105	D	96	Very high	94.8	Very high	81 Å²	81	45.9 Å²	45.9	43%	0.433	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-22.4	177.3	-60.6	-38.6	0	0	0	111.5	R101 W102 I107	R101-D105 WeakPolarHBondContact CD-OD2 3.38Å; R101-D105 WeakPolarHBondContact CG-OD2 3.46Å; R101-D105 IonicContact CZ-OD1 3.66Å; R101-D105 IonicContact CZ-OD2 2.73Å; R101-D105 VanDerWaalsContact NE-CG 3.27Å; R101-D105 IonicContact NE-OD1 3.94Å; R101-D105 PolarHBondContact NE-OD1 3.46Å; R101-D105 IonicContact NE-OD2 2.94Å; R101-D105 PolarHBondContact NE-OD2 3.24Å; R101-D105 IonicContact NH2-OD1 2.74Å; R101-D105 PolarHBondContact NH2-OD1 3.1Å; R101-D105 IonicContact NH2-OD2 2.74Å; R101-D105 PolarHBondContact O-N 2.93Å; R101-D105 VanDerWaalsContact O-N 3.12Å; W102-D105 PolarHBondContact O-N 3.35Å; D105-I107 VanDerWaalsContact C-N 3.33Å; D105-I107 PolarHBondContact O-N 2.85Å
106	G	93.2	Very high	94.5	Very high	16 Å²	16	51.5 Å²	51.5	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.5	171.5	0	0	0	0	0	115.9	W102 F104 D108 R109 W110	W102-G106 PolarHBondContact O-N 2.89Å; F104-G106 PolarHBondContact O-N 3.09Å; G106-D108 VanDerWaalsContact C-N 3.28Å; G106-D108 PolarHBondContact O-N 2.93Å; G106-R109 WeakPolarHBondContact O-CB 3.49Å; G106-R109 PolarHBondContact O-N 2.73Å; G106-W110 VanDerWaalsContact O-CD1 3.29Å
107	I	94.9	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-33.7	-175.6	-64.9	-63.7	0	0	0	112.5	L94 F104 D105 R109 W110 I111 L125 Y146	L94-I107 HydrophobicContact CB-CD1 4.35Å; L94-I107 HydrophobicContact CB-CG2 4.46Å; L94-I107 HydrophobicContact CD1-CG2 4.11Å; L94-I107 HydrophobicContact CD2-CG2 4.32Å; F104-I107 WeakPolarHBondContact O-CB 3.49Å; F104-I107 VanDerWaalsContact O-CG1 3.3Å; F104-I107 WeakPolarHBondContact O-CG1 3.28Å; F104-I107 PolarHBondContact O-N 2.71Å; D105-I107 VanDerWaalsContact C-N 3.33Å; D105-I107 PolarHBondContact O-N 2.85Å; I107-R109 PolarHBondContact O-N 2.86Å; I107-W110 PolarHBondContact O-N 2.69Å; I107-I111 HydrophobicContact CG2-CD1 3.78Å; I107-I111 HydrophobicContact CG2-CG1 4.16Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.96Å; I107-L125 HydrophobicContact CD1-CD1 4.47Å; I107-L125 HydrophobicContact CG1-CD1 4.31Å; I107-L125 HydrophobicContact CG2-CD1 4.14Å; I107-Y146 HydrophobicContact CB-CE1 4.28Å; I107-Y146 HydrophobicContact CG2-CE1 3.92Å
108	D	94.1	Very high	93.5	Very high	76 Å²	76	53.5 Å²	53.5	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-30.3	174.8	-91.5	12.9	0	0	0	113.6	G106 K112 Y146	G106-D108 VanDerWaalsContact C-N 3.28Å; G106-D108 PolarHBondContact O-N 2.93Å; D108-K112 VanDerWaalsContact O-CD 3.28Å; D108-K112 WeakPolarHBondContact O-CD 3.33Å; D108-K112 WeakPolarHBondContact O-CE 3.26Å; D108-K112 VanDerWaalsContact O-CG 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-Y146 PolarHBondContact OD1-OH 2.88Å
109	R	91.6	Very high	93.1	Very high	137 Å²	137	58.2 Å²	58.2	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-73.5	-44.8	174.8	173.5	-175.5	160.1	-149	-8.5	110.7	G106 I107 I111 K112 E113	G106-R109 WeakPolarHBondContact O-CB 3.49Å; G106-R109 PolarHBondContact O-N 2.73Å; I107-R109 PolarHBondContact O-N 2.86Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 PolarHBondContact O-N 3.33Å; R109-K112 PolarHBondContact O-N 2.74Å; R109-E113 PolarHBondContact O-N 3.37Å; R109-E113 VanDerWaalsContact O-N 3.12Å
110	W	91.4	Very high	92.8	Very high	30 Å²	30	58.8 Å²	58.8	11%	0.114	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-36.3	-179.9	-67.4	109.1	0	0	0	112.4	V22 G23 D24 L94 G106 I107 K112 E113 I114	V22-W110 HydrophobicContact CG1-CB 3.95Å; V22-W110 HydrophobicContact CG1-CD2 3.74Å; V22-W110 HydrophobicContact CG1-CE3 3.3Å; V22-W110 HydrophobicContact CG1-CG 4.04Å; V22-W110 HydrophobicContact CG1-CZ3 4.02Å; G23-W110 VanDerWaalsContact C-CE2 3.41Å; G23-W110 VanDerWaalsContact C-NE1 3.35Å; G23-W110 VanDerWaalsContact O-CZ2 3.3Å; G23-W110 WeakPolarHBondContact O-CZ2 3.49Å; D24-W110 PolarHBondContact OD1-NE1 2.71Å; L94-W110 HydrophobicContact CD2-CB 3.92Å; G106-W110 VanDerWaalsContact O-CD1 3.29Å; I107-W110 PolarHBondContact O-N 2.69Å; W110-K112 PolarHBondContact O-N 3.29Å; W110-E113 PolarHBondContact O-N 3.34Å; W110-I114 VanDerWaalsContact O-CD1 3.29Å; W110-I114 WeakPolarHBondContact O-CD1 3.44Å; W110-I114 WeakPolarHBondContact O-CG1 3.49Å; W110-I114 PolarHBondContact O-N 3.49Å
111	I	92.6	Very high	92.6	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-45.9	172.7	-69.7	167.5	0	0	0	111.1	L94 I107 R109 E113 I114 D115 L150	L94-I111 HydrophobicContact CD1-CD1 4.15Å; L94-I111 HydrophobicContact CD1-CG1 3.72Å; L94-I111 HydrophobicContact CD2-CG1 4.38Å; I107-I111 HydrophobicContact CG2-CD1 3.78Å; I107-I111 HydrophobicContact CG2-CG1 4.16Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.96Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 PolarHBondContact O-N 3.33Å; I111-E113 PolarHBondContact O-N 2.73Å; I111-I114 PolarHBondContact O-N 3.24Å; I111-D115 WeakPolarHBondContact CG2-OD2 3.31Å; I111-D115 PolarHBondContact O-N 3.05Å; I111-L150 HydrophobicContact CD1-CD1 3.47Å; I111-L150 VanDerWaalsContact CD1-CD1 3.47Å; I111-L150 HydrophobicContact CD1-CD2 3.82Å; I111-L150 HydrophobicContact CD1-CG 4.3Å
112	K	91.8	Very high	92.5	Very high	140 Å²	140	54.6 Å²	54.6	61%	0.609	27%	0.272	S	S	*	.	H	α-helix	trans	-61.3	-45.1	178.1	-68.2	161.6	-169	163.8	0	112.1	D108 R109 W110 I114 D115 E116	D108-K112 VanDerWaalsContact O-CD 3.28Å; D108-K112 WeakPolarHBondContact O-CD 3.33Å; D108-K112 WeakPolarHBondContact O-CE 3.26Å; D108-K112 VanDerWaalsContact O-CG 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; R109-K112 PolarHBondContact O-N 2.74Å; W110-K112 PolarHBondContact O-N 3.29Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 3.27Å; K112-D115 PolarHBondContact O-N 3.18Å; K112-E116 PolarHBondContact O-N 3.19Å
113	E	87.9	Confident	92.5	Very high	31 Å²	31	46.5 Å²	46.5	15%	0.145	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-42.4	174.8	-69.8	-82	177.8	0	0	111.8	C79 F82 R109 W110 I111 H117	C79-E113 PolarHBondContact SG-OE1 2.95Å; F82-E113 HydrophobicContact CD1-CB 4.33Å; F82-E113 HydrophobicContact CE1-CB 4.03Å; F82-E113 WeakPolarHBondContact CE1-O 3.26Å; R109-E113 PolarHBondContact O-N 3.37Å; R109-E113 VanDerWaalsContact O-N 3.12Å; W110-E113 PolarHBondContact O-N 3.34Å; I111-E113 PolarHBondContact O-N 2.73Å; E113-H117 PolarHBondContact O-N 2.7Å; E113-H117 PolarHBondContact O-ND1 2.81Å; E113-H117 IonicContact OE2-CE1 3.48Å; E113-H117 PolarHBondContact OE2-CE1 2.79Å; E113-H117 VanDerWaalsContact OE2-CE1 3.26Å; E113-H117 IonicContact OE2-ND1 2.71Å
114	I	90.1	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-43.1	176.7	-63	155.1	0	0	0	110.9	V22 F82 V92 L94 W110 I111 K112 E116 H117 A118 K123	V22-I114 HydrophobicContact CG1-CD1 4.31Å; F82-I114 HydrophobicContact CE2-CG1 4.49Å; F82-I114 HydrophobicContact CZ-CB 4.49Å; F82-I114 HydrophobicContact CZ-CG1 3.76Å; V92-I114 HydrophobicContact CB-CD1 4.4Å; V92-I114 HydrophobicContact CG1-CD1 3.63Å; V92-I114 HydrophobicContact CG1-CG1 4.27Å; V92-I114 HydrophobicContact CG2-CG2 4.14Å; L94-I114 HydrophobicContact CD2-CD1 3.57Å; L94-I114 HydrophobicContact CG-CD1 4.29Å; W110-I114 VanDerWaalsContact O-CD1 3.29Å; W110-I114 WeakPolarHBondContact O-CD1 3.44Å; W110-I114 WeakPolarHBondContact O-CG1 3.49Å; W110-I114 PolarHBondContact O-N 3.49Å; I111-I114 PolarHBondContact O-N 3.24Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 3.27Å; I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 3.37Å; I114-H117 PolarHBondContact O-N 3.12Å; I114-A118 HydrophobicContact CG2-CB 4.3Å; I114-A118 CarbonylContact O-C 3.6Å; I114-A118 VanDerWaalsContact O-CA 3.28Å; I114-A118 WeakPolarHBondContact O-CA 3.35Å; I114-A118 PolarHBondContact O-N 2.94Å; I114-K123 HydrophobicContact CD1-CD 4.28Å; I114-K123 HydrophobicContact CG2-CD 4.25Å
115	D	91.3	Very high	92.6	Very high	63 Å²	63	46.2 Å²	46.2	34%	0.337	24%	0.241	S	C	.	.	H	α-helix	trans	-75.4	-20.7	-177.3	-72.4	-44.4	0	0	0	113.6	I111 K112 P119 G120 K123	I111-D115 WeakPolarHBondContact CG2-OD2 3.31Å; I111-D115 PolarHBondContact O-N 3.05Å; K112-D115 PolarHBondContact O-N 3.18Å; D115-P119 WeakPolarHBondContact O-CB 3.44Å; D115-G120 PolarHBondContact OD1-N 3.02Å; D115-K123 IonicContact OD1-NZ 3.67Å; D115-K123 PolarHBondContact OD1-NZ 3.47Å; D115-K123 IonicContact OD2-NZ 2.82Å; D115-K123 PolarHBondContact OD2-NZ 3.24Å
116	E	90	Very high	92.7	Very high	119 Å²	119	42.4 Å²	42.4	56%	0.556	22%	0.221	S	C	*	.	H	α-helix	trans	-71.4	-44.6	165.8	-174.2	-176.9	156.4	0	0	112	R83 K112 I114	R83-E116 IonicContact CZ-OE1 3.94Å; R83-E116 IonicContact NH2-OE1 2.77Å; R83-E116 PolarHBondContact NH2-OE1 3.07Å; K112-E116 PolarHBondContact O-N 3.19Å; I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 3.37Å
117	H	87	Confident	93	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.167	21%	0.213	C	C	.	.	H	α-helix	trans	-109.1	-12.8	-164	-54	110.4	0	0	0	116.1	F82 R83 S86 E113 I114	F82-H117 HydrophobicContact CD1-CB 4.45Å; F82-H117 AromaticContact CD1-ND1 3.87Å; F82-H117 HydrophobicContact CE1-CB 4.06Å; F82-H117 AromaticContact CE1-ND1 3.88Å; R83-H117 VanDerWaalsContact CG-CD2 3.43Å; R83-H117 WeakPolarHBondContact CG-CD2 3.12Å; R83-H117 PolarHBondContact NE-NE2 3.41Å; R83-H117 PolarHBondContact NH2-NE2 3.06Å; R83-H117 VanDerWaalsContact NH2-NE2 3.15Å; S86-H117 WeakPolarHBondContact OG-CB 3.41Å; S86-H117 PolarHBondContact OG-O 3.26Å; S86-H117 VanDerWaalsContact OG-O 3.14Å; E113-H117 PolarHBondContact O-N 2.7Å; E113-H117 PolarHBondContact O-ND1 2.81Å; E113-H117 IonicContact OE2-CE1 3.48Å; E113-H117 PolarHBondContact OE2-CE1 2.79Å; E113-H117 VanDerWaalsContact OE2-CE1 3.26Å; E113-H117 IonicContact OE2-ND1 2.71Å; I114-H117 PolarHBondContact O-N 3.12Å
118	A	88.6	Confident	93.1	Very high	9 Å²	9	41.7 Å²	41.7	7%	0.074	21%	0.213	C	C	.	.	S	Bend	trans	-146.5	55.9	176.7	0	0	0	0	0	109.7	I114 G120 V121	I114-A118 HydrophobicContact CG2-CB 4.3Å; I114-A118 CarbonylContact O-C 3.6Å; I114-A118 VanDerWaalsContact O-CA 3.28Å; I114-A118 WeakPolarHBondContact O-CA 3.35Å; I114-A118 PolarHBondContact O-N 2.94Å; A118-G120 PolarHBondContact O-N 3.44Å; A118-V121 HydrophobicContact CB-CB 4.34Å; A118-V121 HydrophobicContact CB-CG2 3.92Å; A118-V121 WeakPolarHBondContact O-CB 3.48Å; A118-V121 WeakPolarHBondContact O-CG2 3.31Å; A118-V121 PolarHBondContact O-N 3.24Å; A118-V121 VanDerWaalsContact O-N 3.1Å
119	P	90.6	Very high	93.3	Very high	99 Å²	99	39.5 Å²	39.5	64%	0.643	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	121.9	-166.5	18	-32.5	0	0	0	113	D115 V121	D115-P119 WeakPolarHBondContact O-CB 3.44Å; P119-V121 VanDerWaalsContact C-N 3.25Å; P119-V121 PolarHBondContact O-N 2.92Å
120	G	90.9	Very high	93.6	Very high	36 Å²	36	35 Å²	35	37%	0.371	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	16.8	175.8	0	0	0	0	0	115.4	D115 A118 R179	D115-G120 PolarHBondContact OD1-N 3.02Å; A118-G120 PolarHBondContact O-N 3.44Å; G120-R179 PolarHBondContact O-NH1 3.12Å; G120-R179 PolarHBondContact O-NH2 3.49Å
121	V	94.2	Very high	93.9	Very high	24 Å²	24	36.3 Å²	36.3	15%	0.145	19%	0.192	C	C	.	.			trans	-60.5	141.7	167.5	168.2	0	0	0	0	109.8	A89 V92 A118 P119 K123	A89-V121 WeakPolarHBondContact O-CG2 3.31Å; V92-V121 HydrophobicContact CG2-CG1 4.04Å; A118-V121 HydrophobicContact CB-CB 4.34Å; A118-V121 HydrophobicContact CB-CG2 3.92Å; A118-V121 WeakPolarHBondContact O-CB 3.48Å; A118-V121 WeakPolarHBondContact O-CG2 3.31Å; A118-V121 PolarHBondContact O-N 3.24Å; A118-V121 VanDerWaalsContact O-N 3.1Å; P119-V121 VanDerWaalsContact C-N 3.25Å; P119-V121 PolarHBondContact O-N 2.92Å; V121-K123 VanDerWaalsContact O-CG 3.3Å; V121-K123 WeakPolarHBondContact O-CG 3.38Å
122	P	95.8	Very high	94.2	Very high	18 Å²	18	37.1 Å²	37.1	12%	0.117	20%	0.196	C	C	.	.			trans	-63.8	140.6	-177.3	-19.8	35.7	0	0	0	111.6	Q90 G91 V92 L172 I175 V176 R179	Q90-P122 VanDerWaalsContact O-CD 3.29Å; Q90-P122 WeakPolarHBondContact O-CD 3.31Å; G91-P122 CarbonylContact C-O 3.59Å; G91-P122 WeakPolarHBondContact CA-O 3.35Å; V92-P122 PolarHBondContact N-O 3.28Å; P122-L172 HydrophobicContact CB-CD1 4.25Å; P122-I175 HydrophobicContact CB-CG2 3.77Å; P122-I175 HydrophobicContact CG-CG2 4.32Å; P122-V176 HydrophobicContact CB-CG2 4.17Å; P122-V176 HydrophobicContact CG-CG2 3.95Å; P122-R179 VanDerWaalsContact CD-NH1 3.31Å
123	K	95.7	Very high	94.5	Very high	34 Å²	34	32.5 Å²	32.5	15%	0.148	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.2	-174.9	-44.1	-173.9	-175.6	107.8	0	109.7	V92 L94 I114 D115 V121 V152	V92-K123 CarbonylContact O-C 3.5Å; V92-K123 VanDerWaalsContact O-CA 3.3Å; V92-K123 WeakPolarHBondContact O-CA 3.32Å; L94-K123 HydrophobicContact CD1-CB 4.3Å; L94-K123 HydrophobicContact CD1-CD 4.24Å; I114-K123 HydrophobicContact CD1-CD 4.28Å; I114-K123 HydrophobicContact CG2-CD 4.25Å; D115-K123 IonicContact OD1-NZ 3.67Å; D115-K123 PolarHBondContact OD1-NZ 3.47Å; D115-K123 IonicContact OD2-NZ 2.82Å; D115-K123 PolarHBondContact OD2-NZ 3.24Å; V121-K123 VanDerWaalsContact O-CG 3.3Å; V121-K123 WeakPolarHBondContact O-CG 3.38Å; K123-V152 HydrophobicContact CB-CG1 4Å; K123-V152 WeakPolarHBondContact O-CB 3.11Å; K123-V152 WeakPolarHBondContact O-CG1 3.14Å
124	I	98.3	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.2	163.6	68.7	169.4	0	0	0	109.7	V92 I93 L94 V126 T153 F155 S168 L172 I175	V92-I124 PolarHBondContact O-N 2.85Å; I93-I124 HydrophobicContact CB-CG1 4.28Å; I93-I124 HydrophobicContact CG1-CD1 4.14Å; I93-I124 HydrophobicContact CG1-CG1 4.06Å; I93-I124 HydrophobicContact CG2-CD1 4.24Å; I93-I124 HydrophobicContact CG2-CG1 4.07Å; L94-I124 WeakPolarHBondContact CB-O 3.32Å; L94-I124 PolarHBondContact N-O 2.83Å; I124-V126 HydrophobicContact CD1-CG2 3.94Å; I124-V126 HydrophobicContact CG1-CG2 4.21Å; I124-T153 WeakPolarHBondContact CG2-OG1 3.11Å; I124-F155 HydrophobicContact CD1-CD2 4.44Å; I124-S168 VanDerWaalsContact CD1-O 3.32Å; I124-S168 WeakPolarHBondContact CD1-O 3.22Å; I124-L172 HydrophobicContact CD1-CB 4.2Å; I124-L172 HydrophobicContact CG2-CB 4.06Å; I124-L172 HydrophobicContact CG2-CD1 4.16Å; I124-I175 HydrophobicContact CG2-CD1 4.31Å
125	L	98.6	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134	173.3	-174.3	67.5	0	0	0	110.2	L94 Y96 F104 I107 Y146 A147 V152 T153 F154 F155	L94-L125 HydrophobicContact CB-CD1 3.98Å; Y96-L125 HydrophobicContact CD1-CD1 3.97Å; Y96-L125 HydrophobicContact CD1-CG 4.35Å; Y96-L125 HydrophobicContact CE1-CD1 4.17Å; Y96-L125 HydrophobicContact CE1-CD2 4.27Å; Y96-L125 HydrophobicContact CE1-CG 4.04Å; F104-L125 HydrophobicContact CE2-CD2 4.41Å; I107-L125 HydrophobicContact CD1-CD1 4.47Å; I107-L125 HydrophobicContact CG1-CD1 4.31Å; I107-L125 HydrophobicContact CG2-CD1 4.14Å; L125-Y146 HydrophobicContact CD2-CD1 3.86Å; L125-Y146 HydrophobicContact CD2-CE1 4.34Å; L125-A147 HydrophobicContact CB-CB 4.48Å; L125-A147 HydrophobicContact CD2-CB 4.05Å; L125-V152 HydrophobicContact CB-CG2 4.09Å; L125-T153 PolarHBondContact N-O 3.15Å; L125-F154 HydrophobicContact CB-CD2 4.13Å; L125-F154 HydrophobicContact CD2-CD2 3.95Å; L125-F154 HydrophobicContact CD2-CE2 4.39Å; L125-F154 HydrophobicContact CG-CD2 3.97Å; L125-F154 HydrophobicContact CG-CE2 4.45Å; L125-F154 WeakPolarHBondContact O-CA 3.35Å; L125-F155 PolarHBondContact O-N 2.82Å
126	V	98.7	Very high	95.6	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.8	-177.1	172.1	0	0	0	0	110.6	I32 I93 L94 V95 Y96 I124 F155 V157	I32-V126 HydrophobicContact CD1-CG1 4.28Å; I93-V126 HydrophobicContact CG2-CB 4.04Å; I93-V126 HydrophobicContact CG2-CG2 3.54Å; L94-V126 PolarHBondContact O-N 3.43Å; V95-V126 WeakPolarHBondContact CA-O 3.42Å; V95-V126 HydrophobicContact CG2-CB 4.38Å; Y96-V126 WeakPolarHBondContact CD1-O 3.49Å; Y96-V126 PolarHBondContact N-O 2.73Å; I124-V126 HydrophobicContact CD1-CG2 3.94Å; I124-V126 HydrophobicContact CG1-CG2 4.21Å; V126-F155 CarbonylContact C-O 3.27Å; V126-F155 VanDerWaalsContact CA-O 3.31Å; V126-F155 WeakPolarHBondContact CA-O 3.32Å; V126-V157 HydrophobicContact CG1-CB 4.27Å; V126-V157 HydrophobicContact CG1-CG1 3.8Å; V126-V157 HydrophobicContact CG1-CG2 3.43Å; V126-V157 VanDerWaalsContact CG1-CG2 3.43Å
127	G	98.6	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.3	168	0	0	0	0	0	110.6	Y96 F155 E156 V157	Y96-G127 VanDerWaalsContact CZ-CA 3.41Å; G127-F155 PolarHBondContact N-O 3.11Å; G127-E156 CarbonylContact O-C 3.59Å; G127-E156 VanDerWaalsContact O-CA 3.31Å; G127-E156 WeakPolarHBondContact O-CA 3.29Å; G127-V157 PolarHBondContact O-N 3.21Å
128	N	98.5	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	168.1	178.7	-169.2	29.2	0	0	0	112.5	V27 G28 E31 I32 V95 Y96 I98 V157 P159	V27-N128 WeakPolarHBondContact O-CB 3.12Å; V27-N128 PolarHBondContact O-ND2 3.06Å; G28-N128 WeakPolarHBondContact CA-ND2 3.46Å; G28-N128 PolarHBondContact O-ND2 3.06Å; E31-N128 PolarHBondContact OE2-ND2 3.16Å; I32-N128 HydrophobicContact CD1-CB 4.14Å; V95-N128 HydrophobicContact CG1-CB 4.01Å; Y96-N128 WeakPolarHBondContact O-CB 3.48Å; Y96-N128 PolarHBondContact O-N 2.82Å; I98-N128 PolarHBondContact N-O 3.38Å; I98-N128 VanDerWaalsContact N-O 3.11Å; N128-V157 HydrophobicContact CB-CG2 4.19Å; N128-P159 WeakPolarHBondContact OD1-CD 3.3Å; N128-P159 WeakPolarHBondContact OD1-CG 3.43Å
129	R	98	Very high	97.1	Very high	31 Å²	31	45.3 Å²	45.3	12%	0.117	24%	0.235	C	C	.	.			trans	63.7	38.6	177.5	-54	-171.4	178.9	147.3	-8.7	113.6	D26 E31 D97 H131 L132 V157	D26-R129 VanDerWaalsContact O-CZ 3.32Å; D26-R129 PolarHBondContact O-NH1 3.08Å; D26-R129 PolarHBondContact O-NH2 3.39Å; D26-R129 IonicContact OD1-CZ 3.59Å; D26-R129 IonicContact OD1-NH1 3.34Å; D26-R129 IonicContact OD1-NH2 3.58Å; D26-R129 PolarHBondContact OD1-NH2 3.22Å; E31-R129 IonicContact OE1-CZ 3.26Å; E31-R129 VanDerWaalsContact OE1-CZ 3.27Å; E31-R129 IonicContact OE1-NE 2.71Å; E31-R129 PolarHBondContact OE1-NE 2.81Å; E31-R129 IonicContact OE1-NH2 3.54Å; E31-R129 PolarHBondContact OE1-NH2 3.43Å; E31-R129 IonicContact OE2-NE 3.93Å; D97-R129 WeakPolarHBondContact OD2-CD 3.42Å; D97-R129 IonicContact OD2-CZ 2.77Å; D97-R129 IonicContact OD2-NE 2.73Å; D97-R129 IonicContact OD2-NH1 3.65Å; D97-R129 PolarHBondContact OD2-NH1 3.41Å; R129-H131 PolarHBondContact O-N 2.94Å; R129-H131 VanDerWaalsContact O-N 3.11Å; R129-L132 HydrophobicContact CB-CD1 4.23Å; R129-L132 HydrophobicContact CB-CG 4.37Å; R129-L132 WeakPolarHBondContact O-CA 3.43Å; R129-L132 WeakPolarHBondContact O-CB 3.3Å; R129-L132 PolarHBondContact O-N 3.16Å; R129-V157 PolarHBondContact N-O 2.86Å
130	L	98.3	Very high	97.4	Very high	41 Å²	41	43 Å²	43	22%	0.215	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.1	-27.6	175.6	-179.1	63	0	0	0	113.7	I98 L132 A133 E156 V157 F163	I98-L130 HydrophobicContact CD1-CD1 4.2Å; L130-L132 PolarHBondContact O-N 3.33Å; L130-L132 VanDerWaalsContact O-N 3.15Å; L130-A133 HydrophobicContact CD1-CB 4.41Å; L130-A133 WeakPolarHBondContact O-CB 3.46Å; L130-A133 PolarHBondContact O-N 3.38Å; L130-E156 HydrophobicContact CD1-CB 4.15Å; L130-E156 HydrophobicContact CD2-CB 4.07Å; L130-E156 HydrophobicContact CG-CB 4.48Å; L130-V157 VanDerWaalsContact CB-O 3.22Å; L130-V157 WeakPolarHBondContact CB-O 3.34Å; L130-V157 PolarHBondContact N-O 2.82Å; L130-F163 HydrophobicContact CD2-CD1 3.61Å; L130-F163 HydrophobicContact CD2-CE1 3.56Å
131	H	97.3	Very high	97.8	Very high	58 Å²	58	47.3 Å²	47.3	27%	0.269	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-62.9	-14.8	171.5	58.7	-92.3	0	0	0	114	R129 S158 L160	R129-H131 PolarHBondContact O-N 2.94Å; R129-H131 VanDerWaalsContact O-N 3.11Å; H131-S158 WeakPolarHBondContact CB-OG 3.48Å; H131-S158 PolarHBondContact ND1-OG 3.11Å; H131-L160 HydrophobicContact CB-CD2 4.21Å
132	L	97.9	Very high	98	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.199	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-101.4	23.5	172.9	-54.7	-176.9	0	0	0	112.9	T99 R129 L130 Y134 K135	T99-L132 HydrophobicContact CG2-CB 3.53Å; T99-L132 HydrophobicContact CG2-CD1 4.34Å; T99-L132 WeakPolarHBondContact CG2-O 3.34Å; R129-L132 HydrophobicContact CB-CD1 4.23Å; R129-L132 HydrophobicContact CB-CG 4.37Å; R129-L132 WeakPolarHBondContact O-CA 3.43Å; R129-L132 WeakPolarHBondContact O-CB 3.3Å; R129-L132 PolarHBondContact O-N 3.16Å; L130-L132 PolarHBondContact O-N 3.33Å; L130-L132 VanDerWaalsContact O-N 3.15Å; L132-Y134 HydrophobicContact CB-CE1 4.43Å; L132-Y134 HydrophobicContact CD2-CE1 3.84Å; L132-Y134 PolarHBondContact O-N 3.16Å; L132-K135 PolarHBondContact O-N 2.96Å
133	A	97.5	Very high	98.1	Very high	43 Å²	43	48.4 Å²	48.4	36%	0.355	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-54.1	-20.9	179.3	0	0	0	0	0	114.9	I98 L130 K135 R136	I98-A133 HydrophobicContact CD1-CB 4.19Å; L130-A133 HydrophobicContact CD1-CB 4.41Å; L130-A133 WeakPolarHBondContact O-CB 3.46Å; L130-A133 PolarHBondContact O-N 3.38Å; A133-K135 PolarHBondContact O-N 3.33Å; A133-R136 WeakPolarHBondContact O-CB 3.39Å; A133-R136 PolarHBondContact O-N 3Å
134	Y	97.6	Very high	98.2	Very high	171 Å²	171	50.5 Å²	50.5	67%	0.671	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-72	-9.6	172.4	71.4	-84	0	0	0	114.4	L132	L132-Y134 HydrophobicContact CB-CE1 4.43Å; L132-Y134 HydrophobicContact CD2-CE1 3.84Å; L132-Y134 PolarHBondContact O-N 3.16Å
135	K	98.1	Very high	98.2	Very high	119 Å²	119	53.6 Å²	53.6	52%	0.517	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-113.2	14.2	172.3	-65.8	179.8	177.4	177.5	0	112.7	T99 L132 A133 Q137	T99-K135 HydrophobicContact CG2-CB 3.84Å; L132-K135 PolarHBondContact O-N 2.96Å; A133-K135 PolarHBondContact O-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.44Å
136	R	98.4	Very high	98.2	Very high	68 Å²	68	55.4 Å²	55.4	26%	0.257	27%	0.267	S	S	.	.			trans	-57.8	128.9	-173.4	177.7	-176.7	-75.7	-85.1	11.3	112.2	I98 A133 V138 T140 E156	I98-R136 WeakPolarHBondContact O-CA 3.3Å; A133-R136 WeakPolarHBondContact O-CB 3.39Å; A133-R136 PolarHBondContact O-N 3Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.31Å; R136-V138 WeakPolarHBondContact CG-O 3.31Å; R136-V138 PolarHBondContact NH1-O 3.37Å; R136-T140 PolarHBondContact NH1-OG1 2.95Å; R136-T140 PolarHBondContact NH2-OG1 3.34Å; R136-E156 IonicContact CZ-OE1 3.27Å; R136-E156 IonicContact CZ-OE2 3.53Å; R136-E156 IonicContact NH1-OE1 2.7Å; R136-E156 PolarHBondContact NH1-OE1 3.06Å; R136-E156 IonicContact NH1-OE2 2.97Å; R136-E156 IonicContact NH2-OE1 3.89Å; R136-E156 PolarHBondContact NH2-OE1 3.26Å; R136-E156 IonicContact NH2-OE2 2.79Å; R136-E156 PolarHBondContact NH2-OE2 3.1Å
137	Q	98.6	Very high	98.1	Very high	105 Å²	105	55.3 Å²	55.3	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-110.4	-12.4	173.2	-60.4	-174.9	3.6	0	0	113.1	I98 T99 R101 K135	I98-Q137 PolarHBondContact O-N 2.81Å; T99-Q137 VanDerWaalsContact O-CG 3.3Å; T99-Q137 WeakPolarHBondContact O-CG 3.28Å; T99-Q137 PolarHBondContact O-NE2 2.88Å; T99-Q137 PolarHBondContact O-OE1 3.1Å; R101-Q137 HydrophobicContact CB-CB 4.04Å; K135-Q137 PolarHBondContact O-N 3.44Å
138	V	98.5	Very high	98.1	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-122.8	119.3	176.9	-176.2	0	0	0	0	108.4	Y96 I98 F104 R136 A143	Y96-V138 HydrophobicContact CE2-CB 4.08Å; Y96-V138 HydrophobicContact CE2-CG1 3.99Å; Y96-V138 HydrophobicContact CE2-CG2 4.28Å; I98-V138 PolarHBondContact O-N 2.95Å; F104-V138 HydrophobicContact CB-CG1 4.46Å; F104-V138 HydrophobicContact CB-CG2 3.73Å; F104-V138 HydrophobicContact CD1-CG1 4.3Å; F104-V138 HydrophobicContact CD2-CG1 3.76Å; F104-V138 HydrophobicContact CE2-CG1 3.99Å; F104-V138 HydrophobicContact CG-CG1 3.91Å; F104-V138 HydrophobicContact CG-CG2 4.04Å; F104-V138 HydrophobicContact CZ-CG1 4.37Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.31Å; R136-V138 WeakPolarHBondContact CG-O 3.31Å; R136-V138 PolarHBondContact NH1-O 3.37Å; V138-A143 HydrophobicContact CG1-CB 4.26Å
139	T	98.6	Very high	98	Very high	65 Å²	65	69 Å²	69	40%	0.399	33%	0.328	S	S	.	.			trans	-75	149.1	179.8	92.7	0	0	0	0	111.1	E141 Q142 A143	T139-E141 WeakPolarHBondContact CB-OE2 3.37Å; T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-OE2 2.92Å; T139-Q142 PolarHBondContact O-N 3.47Å; T139-Q142 VanDerWaalsContact O-N 3.14Å; T139-Q142 PolarHBondContact OG1-N 3.36Å; T139-Q142 VanDerWaalsContact OG1-N 3.16Å; T139-A143 PolarHBondContact O-N 3.45Å; T139-A143 VanDerWaalsContact O-N 3.08Å
140	T	98	Very high	97.9	Very high	51 Å²	51	70.5 Å²	70.5	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-36	-179.5	-53.1	0	0	0	0	110.5	R136 A143 Q144 F154 E156	R136-T140 PolarHBondContact NH1-OG1 2.95Å; R136-T140 PolarHBondContact NH2-OG1 3.34Å; T140-A143 PolarHBondContact O-N 3.48Å; T140-Q144 VanDerWaalsContact O-CB 3.25Å; T140-Q144 WeakPolarHBondContact O-CB 3.26Å; T140-Q144 PolarHBondContact O-N 3.1Å; T140-F154 HydrophobicContact CG2-CE1 4.02Å; T140-E156 PolarHBondContact OG1-OE1 3.38Å; T140-E156 PolarHBondContact OG1-OE2 2.89Å
141	E	98.3	Very high	97.7	Very high	126 Å²	126	72 Å²	72	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-67.1	-41.1	176.1	-48.3	71.8	-155.5	0	0	111.6	T139 A143 Q144 V145	T139-E141 WeakPolarHBondContact CB-OE2 3.37Å; T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-OE2 2.92Å; E141-A143 VanDerWaalsContact C-N 3.35Å; E141-Q144 PolarHBondContact O-N 3.24Å; E141-V145 WeakPolarHBondContact O-CB 3.13Å; E141-V145 VanDerWaalsContact O-CG2 3.3Å; E141-V145 WeakPolarHBondContact O-CG2 3.37Å; E141-V145 PolarHBondContact O-N 3.1Å
142	Q	98.1	Very high	97.7	Very high	65 Å²	65	70.6 Å²	70.6	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-43.3	177.1	-167	-160.8	-50.6	0	0	111.1	R101 T139 Y146	R101-Q142 VanDerWaalsContact NH2-NE2 3.12Å; T139-Q142 PolarHBondContact O-N 3.47Å; T139-Q142 VanDerWaalsContact O-N 3.14Å; T139-Q142 PolarHBondContact OG1-N 3.36Å; T139-Q142 VanDerWaalsContact OG1-N 3.16Å; Q142-Y146 WeakPolarHBondContact O-CB 3.37Å; Q142-Y146 PolarHBondContact O-N 3.3Å; Q142-Y146 VanDerWaalsContact O-N 3.08Å
143	A	98.3	Very high	97.6	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-69.3	-40.7	178.9	0	0	0	0	0	112.3	Y96 F104 V138 T139 T140 E141 Y146 A147 F154	Y96-A143 WeakPolarHBondContact OH-CB 3.38Å; F104-A143 HydrophobicContact CE2-CB 3.83Å; F104-A143 HydrophobicContact CZ-CB 4.48Å; V138-A143 HydrophobicContact CG1-CB 4.26Å; T139-A143 PolarHBondContact O-N 3.45Å; T139-A143 VanDerWaalsContact O-N 3.08Å; T140-A143 PolarHBondContact O-N 3.48Å; E141-A143 VanDerWaalsContact C-N 3.35Å; A143-Y146 PolarHBondContact O-N 2.77Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.08Å; A143-F154 HydrophobicContact CB-CD2 4.45Å; A143-F154 HydrophobicContact CB-CE1 3.78Å; A143-F154 HydrophobicContact CB-CE2 3.72Å; A143-F154 HydrophobicContact CB-CZ 3.32Å
144	Q	98.1	Very high	97.7	Very high	78 Å²	78	70.4 Å²	70.4	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-52.2	172.8	178.4	62.8	26.9	0	0	111.6	T140 E141 Y146 A147 E148 F154	T140-Q144 VanDerWaalsContact O-CB 3.25Å; T140-Q144 WeakPolarHBondContact O-CB 3.26Å; T140-Q144 PolarHBondContact O-N 3.1Å; E141-Q144 PolarHBondContact O-N 3.24Å; Q144-Y146 PolarHBondContact O-N 3.16Å; Q144-A147 PolarHBondContact O-N 2.99Å; Q144-A147 VanDerWaalsContact O-N 3.14Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.34Å; Q144-E148 PolarHBondContact NE2-OE1 2.87Å; Q144-E148 WeakPolarHBondContact O-CG 3.24Å; Q144-E148 PolarHBondContact O-N 3.02Å; Q144-F154 HydrophobicContact CB-CD1 4.15Å; Q144-F154 HydrophobicContact CB-CE1 4.49Å
145	V	98.5	Very high	97.7	Very high	64 Å²	64	64.1 Å²	64.1	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-27.6	179.3	168.2	0	0	0	0	112.4	E141 K149	E141-V145 WeakPolarHBondContact O-CB 3.13Å; E141-V145 VanDerWaalsContact O-CG2 3.3Å; E141-V145 WeakPolarHBondContact O-CG2 3.37Å; E141-V145 PolarHBondContact O-N 3.1Å; V145-K149 HydrophobicContact CG1-CD 4.48Å; V145-K149 VanDerWaalsContact O-CD 3.32Å; V145-K149 WeakPolarHBondContact O-CD 3.4Å; V145-K149 VanDerWaalsContact O-CG 3.23Å; V145-K149 WeakPolarHBondContact O-CG 3.46Å; V145-K149 PolarHBondContact O-N 2.78Å
146	Y	98.3	Very high	97.8	Very high	38 Å²	38	59.3 Å²	59.3	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-75.1	-44	172.4	176	-106.5	0	0	0	111.9	F104 I107 D108 L125 Q142 A143 Q144 E148 K149 L150	F104-Y146 HydrophobicContact CE1-CD1 4.46Å; F104-Y146 HydrophobicContact CE1-CG 4.42Å; F104-Y146 AromaticContact CE2-CD1 3.91Å; F104-Y146 HydrophobicContact CE2-CD1 3.91Å; F104-Y146 HydrophobicContact CE2-CE1 4.5Å; F104-Y146 HydrophobicContact CE2-CG 4.45Å; F104-Y146 AromaticContact CZ-CD1 3.62Å; F104-Y146 HydrophobicContact CZ-CD1 3.62Å; F104-Y146 HydrophobicContact CZ-CD2 4.5Å; F104-Y146 HydrophobicContact CZ-CE1 4.32Å; F104-Y146 AromaticContact CZ-CG 3.73Å; F104-Y146 HydrophobicContact CZ-CG 3.73Å; I107-Y146 HydrophobicContact CB-CE1 4.28Å; I107-Y146 HydrophobicContact CG2-CE1 3.92Å; D108-Y146 PolarHBondContact OD1-OH 2.88Å; L125-Y146 HydrophobicContact CD2-CD1 3.86Å; L125-Y146 HydrophobicContact CD2-CE1 4.34Å; Q142-Y146 WeakPolarHBondContact O-CB 3.37Å; Q142-Y146 PolarHBondContact O-N 3.3Å; Q142-Y146 VanDerWaalsContact O-N 3.08Å; A143-Y146 PolarHBondContact O-N 2.77Å; Q144-Y146 PolarHBondContact O-N 3.16Å; Y146-E148 PolarHBondContact O-N 2.89Å; Y146-K149 PolarHBondContact O-N 2.85Å; Y146-L150 HydrophobicContact CD1-CD1 3.98Å; Y146-L150 HydrophobicContact CE1-CD1 3.48Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.48Å; Y146-L150 HydrophobicContact CE2-CD1 4.25Å; Y146-L150 WeakPolarHBondContact O-CG 3.18Å; Y146-L150 PolarHBondContact O-N 3Å; Y146-L150 VanDerWaalsContact O-N 3.13Å
147	A	97.9	Very high	97.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-40.8	175.5	0	0	0	0	0	112.8	L125 A143 Q144 L150 G151 V152 F154	L125-A147 HydrophobicContact CB-CB 4.48Å; L125-A147 HydrophobicContact CD2-CB 4.05Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.08Å; Q144-A147 PolarHBondContact O-N 2.99Å; Q144-A147 VanDerWaalsContact O-N 3.14Å; A147-L150 CarbonylContact O-C 3.52Å; A147-L150 PolarHBondContact O-N 3.06Å; A147-L150 VanDerWaalsContact O-N 3.17Å; A147-G151 PolarHBondContact O-N 3Å; A147-V152 HydrophobicContact CB-CG2 3.95Å; A147-V152 PolarHBondContact O-N 3.34Å; A147-F154 HydrophobicContact CB-CB 3.7Å; A147-F154 HydrophobicContact CB-CG 4.43Å
148	E	97.5	Very high	97.6	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-44.3	174	-74.7	170.7	-175.6	0	0	112.2	Q144 Y146 L150 G151	Q144-E148 WeakPolarHBondContact CG-OE1 3.34Å; Q144-E148 PolarHBondContact NE2-OE1 2.87Å; Q144-E148 WeakPolarHBondContact O-CG 3.24Å; Q144-E148 PolarHBondContact O-N 3.02Å; Y146-E148 PolarHBondContact O-N 2.89Å; E148-L150 PolarHBondContact O-N 2.88Å; E148-G151 PolarHBondContact O-N 3.01Å; E148-G151 VanDerWaalsContact O-N 3.09Å
149	K	97.2	Very high	97.4	Very high	168 Å²	168	52.1 Å²	52.1	73%	0.73	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-29.5	175.7	-72.7	166.4	-173.5	173	0	113.1	V145 Y146	V145-K149 HydrophobicContact CG1-CD 4.48Å; V145-K149 VanDerWaalsContact O-CD 3.32Å; V145-K149 WeakPolarHBondContact O-CD 3.4Å; V145-K149 VanDerWaalsContact O-CG 3.23Å; V145-K149 WeakPolarHBondContact O-CG 3.46Å; V145-K149 PolarHBondContact O-N 2.78Å; Y146-K149 PolarHBondContact O-N 2.85Å
150	L	94.3	Very high	97.2	Very high	64 Å²	64	55.4 Å²	55.4	34%	0.335	29%	0.294	S	S	.	.	H	α-helix	trans	-85	-12.5	175.1	-68.9	177.3	0	0	0	113.5	I111 Y146 A147 E148 V152	I111-L150 HydrophobicContact CD1-CD1 3.47Å; I111-L150 VanDerWaalsContact CD1-CD1 3.47Å; I111-L150 HydrophobicContact CD1-CD2 3.82Å; I111-L150 HydrophobicContact CD1-CG 4.3Å; Y146-L150 HydrophobicContact CD1-CD1 3.98Å; Y146-L150 HydrophobicContact CE1-CD1 3.48Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.48Å; Y146-L150 HydrophobicContact CE2-CD1 4.25Å; Y146-L150 WeakPolarHBondContact O-CG 3.18Å; Y146-L150 PolarHBondContact O-N 3Å; Y146-L150 VanDerWaalsContact O-N 3.13Å; A147-L150 CarbonylContact O-C 3.52Å; A147-L150 PolarHBondContact O-N 3.06Å; A147-L150 VanDerWaalsContact O-N 3.17Å; E148-L150 PolarHBondContact O-N 2.88Å; L150-V152 HydrophobicContact CB-CG1 4.31Å; L150-V152 HydrophobicContact CB-CG2 4Å; L150-V152 HydrophobicContact CD1-CG2 4.42Å
151	G	95.6	Very high	96.9	Very high	72 Å²	72	56.9 Å²	56.9	74%	0.742	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	31.1	-173.4	0	0	0	0	0	114.1	A147 E148	A147-G151 PolarHBondContact O-N 3Å; E148-G151 PolarHBondContact O-N 3.01Å; E148-G151 VanDerWaalsContact O-N 3.09Å
152	V	96.2	Very high	96.5	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.17	30%	0.298	C	S	.	.			trans	-114.7	150.8	179.3	-59	0	0	0	0	111.6	K123 L125 A147 L150	K123-V152 HydrophobicContact CB-CG1 4Å; K123-V152 WeakPolarHBondContact O-CB 3.11Å; K123-V152 WeakPolarHBondContact O-CG1 3.14Å; L125-V152 HydrophobicContact CB-CG2 4.09Å; A147-V152 HydrophobicContact CB-CG2 3.95Å; A147-V152 PolarHBondContact O-N 3.34Å; L150-V152 HydrophobicContact CB-CG1 4.31Å; L150-V152 HydrophobicContact CB-CG2 4Å; L150-V152 HydrophobicContact CD1-CG2 4.42Å
153	T	97.2	Very high	96.2	Very high	49 Å²	49	56.5 Å²	56.5	30%	0.301	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.5	171.6	55.6	0	0	0	0	110.8	I124 L125 E171 I175	I124-T153 WeakPolarHBondContact CG2-OG1 3.11Å; L125-T153 PolarHBondContact N-O 3.15Å; T153-E171 HydrophobicContact CG2-CG 4.38Å; T153-I175 HydrophobicContact CG2-CD1 4.18Å
154	F	98.4	Very high	96	Very high	29 Å²	29	58.4 Å²	58.4	13%	0.127	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.4	-179.9	174.9	-128	0	0	0	112	Y96 L125 T140 A143 Q144 A147 E156	Y96-F154 HydrophobicContact CE1-CE2 4.01Å; Y96-F154 VanDerWaalsContact OH-CE2 3.31Å; Y96-F154 WeakPolarHBondContact OH-CE2 3.32Å; Y96-F154 WeakPolarHBondContact OH-CZ 3.34Å; L125-F154 HydrophobicContact CB-CD2 4.13Å; L125-F154 HydrophobicContact CD2-CD2 3.95Å; L125-F154 HydrophobicContact CD2-CE2 4.39Å; L125-F154 HydrophobicContact CG-CD2 3.97Å; L125-F154 HydrophobicContact CG-CE2 4.45Å; L125-F154 WeakPolarHBondContact O-CA 3.35Å; T140-F154 HydrophobicContact CG2-CE1 4.02Å; A143-F154 HydrophobicContact CB-CD2 4.45Å; A143-F154 HydrophobicContact CB-CE1 3.78Å; A143-F154 HydrophobicContact CB-CE2 3.72Å; A143-F154 HydrophobicContact CB-CZ 3.32Å; Q144-F154 HydrophobicContact CB-CD1 4.15Å; Q144-F154 HydrophobicContact CB-CE1 4.49Å; A147-F154 HydrophobicContact CB-CB 3.7Å; A147-F154 HydrophobicContact CB-CG 4.43Å; F154-E156 HydrophobicContact CE1-CG 3.87Å; F154-E156 HydrophobicContact CE2-CG 4.03Å; F154-E156 HydrophobicContact CZ-CG 3.3Å
155	F	98.6	Very high	95.8	Very high	38 Å²	38	54.7 Å²	54.7	17%	0.167	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.5	170.3	-66.9	-94.4	0	0	0	110.4	I124 L125 V126 G127 V157 N164 E167 E171	I124-F155 HydrophobicContact CD1-CD2 4.44Å; L125-F155 PolarHBondContact O-N 2.82Å; V126-F155 CarbonylContact C-O 3.27Å; V126-F155 VanDerWaalsContact CA-O 3.31Å; V126-F155 WeakPolarHBondContact CA-O 3.32Å; G127-F155 PolarHBondContact N-O 3.11Å; F155-V157 HydrophobicContact CB-CG1 4.25Å; F155-N164 HydrophobicContact CD1-CB 4.34Å; F155-E167 HydrophobicContact CE1-CB 4.26Å; F155-E171 HydrophobicContact CE2-CB 3.99Å; F155-E171 HydrophobicContact CE2-CG 4.19Å; F155-E171 HydrophobicContact CZ-CB 3.73Å; F155-E171 HydrophobicContact CZ-CG 4.08Å
156	E	98.4	Very high	95.5	Very high	19 Å²	19	54.3 Å²	54.3	9%	0.089	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.2	159.6	-61.4	-166.3	138.8	0	0	109	G127 L130 R136 T140 F154 N164	G127-E156 CarbonylContact O-C 3.59Å; G127-E156 VanDerWaalsContact O-CA 3.31Å; G127-E156 WeakPolarHBondContact O-CA 3.29Å; L130-E156 HydrophobicContact CD1-CB 4.15Å; L130-E156 HydrophobicContact CD2-CB 4.07Å; L130-E156 HydrophobicContact CG-CB 4.48Å; R136-E156 IonicContact CZ-OE1 3.27Å; R136-E156 IonicContact CZ-OE2 3.53Å; R136-E156 IonicContact NH1-OE1 2.7Å; R136-E156 PolarHBondContact NH1-OE1 3.06Å; R136-E156 IonicContact NH1-OE2 2.97Å; R136-E156 IonicContact NH2-OE1 3.89Å; R136-E156 PolarHBondContact NH2-OE1 3.26Å; R136-E156 IonicContact NH2-OE2 2.79Å; R136-E156 PolarHBondContact NH2-OE2 3.1Å; T140-E156 PolarHBondContact OG1-OE1 3.38Å; T140-E156 PolarHBondContact OG1-OE2 2.89Å; F154-E156 HydrophobicContact CE1-CG 3.87Å; F154-E156 HydrophobicContact CE2-CG 4.03Å; F154-E156 HydrophobicContact CZ-CG 3.3Å; E156-N164 WeakPolarHBondContact O-CB 3.42Å; E156-N164 PolarHBondContact O-ND2 2.75Å
157	V	98	Very high	95.2	Very high	1 Å²	1	57 Å²	57	1%	0.006	31%	0.309	C	S	.	.			trans	-125.8	155.3	-170.3	-56.4	0	0	0	0	112.4	I32 V126 G127 N128 R129 L130 F155 F163 N164 I165	I32-V157 HydrophobicContact CD1-CG2 4.17Å; I32-V157 HydrophobicContact CG1-CG2 4.37Å; V126-V157 HydrophobicContact CG1-CB 4.27Å; V126-V157 HydrophobicContact CG1-CG1 3.8Å; V126-V157 HydrophobicContact CG1-CG2 3.43Å; V126-V157 VanDerWaalsContact CG1-CG2 3.43Å; G127-V157 PolarHBondContact O-N 3.21Å; N128-V157 HydrophobicContact CB-CG2 4.19Å; R129-V157 PolarHBondContact N-O 2.86Å; L130-V157 VanDerWaalsContact CB-O 3.22Å; L130-V157 WeakPolarHBondContact CB-O 3.34Å; L130-V157 PolarHBondContact N-O 2.82Å; F155-V157 HydrophobicContact CB-CG1 4.25Å; V157-F163 VanDerWaalsContact CA-O 3.32Å; V157-F163 WeakPolarHBondContact CA-O 3.3Å; V157-N164 HydrophobicContact CB-CB 4.46Å; V157-N164 HydrophobicContact CG1-CB 3.79Å; V157-I165 HydrophobicContact CB-CD1 3.88Å; V157-I165 HydrophobicContact CG2-CD1 4.13Å
158	S	96.9	Very high	95.2	Very high	3 Å²	3	57 Å²	57	2%	0.021	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-137.9	103.8	170.6	-178.3	0	0	0	0	110.5	H131 L160 C161 N162 F163	H131-S158 WeakPolarHBondContact CB-OG 3.48Å; H131-S158 PolarHBondContact ND1-OG 3.11Å; S158-L160 VanDerWaalsContact C-N 3.29Å; S158-L160 PolarHBondContact O-N 2.79Å; S158-C161 CarbonylContact O-C 3.6Å; S158-C161 PolarHBondContact O-N 3.03Å; S158-C161 VanDerWaalsContact O-N 3.11Å; S158-C161 PolarHBondContact OG-N 2.72Å; S158-C161 PolarHBondContact OG-SG 3.19Å; S158-N162 WeakPolarHBondContact O-CA 3.42Å; S158-N162 PolarHBondContact O-N 3.49Å; S158-F163 PolarHBondContact N-O 2.88Å; S158-F163 PolarHBondContact O-N 3.3Å
159	P	93.7	Very high	95.1	Very high	18 Å²	18	51.4 Å²	51.4	12%	0.117	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.4	-45.3	171.8	-28.9	36.5	0	0	0	112	E31 I32 N128 C161 N162 I165	E31-P159 HydrophobicContact CB-CB 3.97Å; E31-P159 HydrophobicContact CB-CG 3.85Å; I32-P159 HydrophobicContact CB-CG 4.47Å; I32-P159 HydrophobicContact CG1-CG 3.74Å; N128-P159 WeakPolarHBondContact OD1-CD 3.3Å; N128-P159 WeakPolarHBondContact OD1-CG 3.43Å; P159-C161 PolarHBondContact O-N 2.78Å; P159-C161 VanDerWaalsContact O-N 3.15Å; P159-N162 PolarHBondContact O-N 2.98Å; P159-I165 HydrophobicContact CB-CD1 4.41Å; P159-I165 HydrophobicContact CG-CD1 3.91Å
160	L	93.1	Very high	95	Very high	134 Å²	134	44.3 Å²	44.3	70%	0.702	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.2	-28.9	177.2	-179.2	62.5	0	0	0	113.7	H131 S158	H131-L160 HydrophobicContact CB-CD2 4.21Å; S158-L160 VanDerWaalsContact C-N 3.29Å; S158-L160 PolarHBondContact O-N 2.79Å
161	C	91.8	Very high	95	Very high	81 Å²	81	43.5 Å²	43.5	55%	0.547	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-107.9	3.7	179.9	-50	0	0	0	0	113	S158 P159 F163	S158-C161 CarbonylContact O-C 3.6Å; S158-C161 PolarHBondContact O-N 3.03Å; S158-C161 VanDerWaalsContact O-N 3.11Å; S158-C161 PolarHBondContact OG-N 2.72Å; S158-C161 PolarHBondContact OG-SG 3.19Å; P159-C161 PolarHBondContact O-N 2.78Å; P159-C161 VanDerWaalsContact O-N 3.15Å; C161-F163 HydrophobicContact CB-CB 4.19Å; C161-F163 PolarHBondContact O-N 3.32Å
162	N	89.8	Confident	95.1	Very high	81 Å²	81	40.1 Å²	40.1	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	40.7	-166.7	-168.8	31.6	0	0	0	113.6	S158 P159	S158-N162 WeakPolarHBondContact O-CA 3.42Å; S158-N162 PolarHBondContact O-N 3.49Å; P159-N162 PolarHBondContact O-N 2.98Å
163	F	92.8	Very high	95	Very high	102 Å²	102	38.8 Å²	38.8	45%	0.447	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-101.7	128	-173.3	-177.1	-96.2	0	0	0	111.7	L130 V157 S158 C161 I165	L130-F163 HydrophobicContact CD2-CD1 3.61Å; L130-F163 HydrophobicContact CD2-CE1 3.56Å; V157-F163 VanDerWaalsContact CA-O 3.32Å; V157-F163 WeakPolarHBondContact CA-O 3.3Å; S158-F163 PolarHBondContact N-O 2.88Å; S158-F163 PolarHBondContact O-N 3.3Å; C161-F163 HydrophobicContact CB-CB 4.19Å; C161-F163 PolarHBondContact O-N 3.32Å; F163-I165 PolarHBondContact O-N 3.22Å
164	N	94.7	Very high	94.9	Very high	40 Å²	40	39.3 Å²	39.3	21%	0.214	20%	0.202	C	C	.	.	S	Bend	trans	57.4	7.9	-175.5	-73.8	-19.1	0	0	0	115.7	F155 E156 V157 E167 S168	F155-N164 HydrophobicContact CD1-CB 4.34Å; E156-N164 WeakPolarHBondContact O-CB 3.42Å; E156-N164 PolarHBondContact O-ND2 2.75Å; V157-N164 HydrophobicContact CB-CB 4.46Å; V157-N164 HydrophobicContact CG1-CB 3.79Å; N164-E167 WeakPolarHBondContact CA-OE2 3.42Å; N164-E167 PolarHBondContact N-OE2 2.96Å; N164-S168 WeakPolarHBondContact O-CB 3.5Å; N164-S168 PolarHBondContact O-N 2.78Å; N164-S168 VanDerWaalsContact O-N 3.08Å; N164-S168 PolarHBondContact O-OG 3.5Å
165	I	93.9	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-48.5	-178.5	-62.9	-66.3	0	0	0	110.6	I32 L36 V157 P159 F163 E167 S168 F169	I32-I165 HydrophobicContact CG1-CD1 4.29Å; I32-I165 HydrophobicContact CG2-CD1 4.28Å; L36-I165 HydrophobicContact CD2-CG2 3.65Å; L36-I165 HydrophobicContact CG-CG2 3.76Å; V157-I165 HydrophobicContact CB-CD1 3.88Å; V157-I165 HydrophobicContact CG2-CD1 4.13Å; P159-I165 HydrophobicContact CB-CD1 4.41Å; P159-I165 HydrophobicContact CG-CD1 3.91Å; F163-I165 PolarHBondContact O-N 3.22Å; I165-E167 PolarHBondContact N-OE2 3.47Å; I165-S168 PolarHBondContact O-OG 3.39Å; I165-F169 WeakPolarHBondContact O-CD2 3.46Å
166	T	91.3	Very high	94.5	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-74.4	-36.4	180	-59.7	0	0	0	0	110.3	T170	T166-T170 WeakPolarHBondContact O-CB 3.47Å; T166-T170 PolarHBondContact O-N 3.48Å; T166-T170 PolarHBondContact O-OG1 3.06Å
167	E	92.9	Very high	94.1	Very high	94 Å²	94	37.8 Å²	37.8	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-48.6	-174.4	-64.9	62.8	-143.2	0	0	111.4	F155 N164 I165 T170 E171	F155-E167 HydrophobicContact CE1-CB 4.26Å; N164-E167 WeakPolarHBondContact CA-OE2 3.42Å; N164-E167 PolarHBondContact N-OE2 2.96Å; I165-E167 PolarHBondContact N-OE2 3.47Å; E167-T170 WeakPolarHBondContact O-CB 3.29Å; E167-T170 PolarHBondContact O-N 2.98Å; E167-E171 PolarHBondContact O-N 2.74Å
168	S	96.3	Very high	93.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-44.8	179.9	53.8	0	0	0	0	112.7	I124 N164 I165 T170 E171 L172	I124-S168 VanDerWaalsContact CD1-O 3.32Å; I124-S168 WeakPolarHBondContact CD1-O 3.22Å; N164-S168 WeakPolarHBondContact O-CB 3.5Å; N164-S168 PolarHBondContact O-N 2.78Å; N164-S168 VanDerWaalsContact O-N 3.08Å; N164-S168 PolarHBondContact O-OG 3.5Å; I165-S168 PolarHBondContact O-OG 3.39Å; S168-T170 VanDerWaalsContact C-N 3.32Å; S168-T170 PolarHBondContact O-N 3.46Å; S168-E171 PolarHBondContact O-N 3.14Å; S168-L172 PolarHBondContact O-N 3.38Å; S168-L172 VanDerWaalsContact O-N 3.1Å
169	F	96.3	Very high	93.1	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-33.4	175.2	-75.2	-109.5	0	0	0	112.2	F19 L21 I32 L36 L67 L69 I93 I165 A173	F19-F169 HydrophobicContact CD2-CD1 4.25Å; L21-F169 HydrophobicContact CD1-CE1 4.13Å; L21-F169 HydrophobicContact CD1-CZ 4.19Å; L21-F169 HydrophobicContact CD2-CZ 4.2Å; L21-F169 HydrophobicContact CG-CZ 4.38Å; I32-F169 HydrophobicContact CG2-CE2 3.57Å; I32-F169 HydrophobicContact CG2-CZ 3.71Å; L36-F169 HydrophobicContact CD1-CD1 4.03Å; L36-F169 HydrophobicContact CD1-CD2 4.34Å; L36-F169 HydrophobicContact CD1-CE1 3.66Å; L36-F169 HydrophobicContact CD1-CE2 3.98Å; L36-F169 HydrophobicContact CD1-CG 4.35Å; L36-F169 HydrophobicContact CD1-CZ 3.62Å; L67-F169 HydrophobicContact CD1-CB 4.11Å; L67-F169 HydrophobicContact CD1-CD1 4.04Å; L69-F169 HydrophobicContact CD1-CD1 4.07Å; L69-F169 HydrophobicContact CD1-CE1 3.6Å; L69-F169 HydrophobicContact CD1-CZ 4.49Å; L69-F169 HydrophobicContact CD2-CD1 3.9Å; L69-F169 HydrophobicContact CD2-CE1 3.67Å; L69-F169 HydrophobicContact CG-CE1 4.23Å; I93-F169 HydrophobicContact CD1-CD1 3.64Å; I93-F169 HydrophobicContact CD1-CD2 3.94Å; I93-F169 HydrophobicContact CD1-CE1 3.3Å; I93-F169 HydrophobicContact CD1-CE2 3.66Å; I93-F169 HydrophobicContact CD1-CG 3.95Å; I93-F169 HydrophobicContact CD1-CZ 3.33Å; I165-F169 WeakPolarHBondContact O-CD2 3.46Å; F169-A173 WeakPolarHBondContact O-CB 3.48Å; F169-A173 PolarHBondContact O-N 3.12Å
170	T	94	Very high	92.5	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-39.5	176	-62.4	0	0	0	0	111.5	L60 T166 E167 S168 A173 R174	L60-T170 HydrophobicContact CD1-CG2 3.39Å; T166-T170 WeakPolarHBondContact O-CB 3.47Å; T166-T170 PolarHBondContact O-N 3.48Å; T166-T170 PolarHBondContact O-OG1 3.06Å; E167-T170 WeakPolarHBondContact O-CB 3.29Å; E167-T170 PolarHBondContact O-N 2.98Å; S168-T170 VanDerWaalsContact C-N 3.32Å; S168-T170 PolarHBondContact O-N 3.46Å; T170-A173 PolarHBondContact O-N 3Å; T170-R174 PolarHBondContact O-N 2.75Å
171	E	95.3	Very high	91.3	Very high	47 Å²	47	48.7 Å²	48.7	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-43.1	176.3	-173.8	54	-153.2	0	0	112.2	T153 F155 E167 S168 A173 R174 I175	T153-E171 HydrophobicContact CG2-CG 4.38Å; F155-E171 HydrophobicContact CE2-CB 3.99Å; F155-E171 HydrophobicContact CE2-CG 4.19Å; F155-E171 HydrophobicContact CZ-CB 3.73Å; F155-E171 HydrophobicContact CZ-CG 4.08Å; E167-E171 PolarHBondContact O-N 2.74Å; S168-E171 PolarHBondContact O-N 3.14Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 3.04Å; E171-R174 WeakPolarHBondContact O-CB 3.45Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 VanDerWaalsContact O-N 3.1Å; E171-R174 IonicContact OE2-CZ 3.74Å; E171-R174 IonicContact OE2-NH1 3.35Å; E171-R174 PolarHBondContact OE2-NH1 2.89Å; E171-I175 HydrophobicContact CG-CD1 4.05Å; E171-I175 WeakPolarHBondContact O-CG1 3.4Å; E171-I175 PolarHBondContact O-N 3.21Å
172	L	96.9	Very high	90	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-41.3	172.4	-179.9	59.2	0	0	0	111.4	F19 I93 P122 I124 S168 R174 I175 V176	F19-L172 HydrophobicContact CB-CD2 4.48Å; F19-L172 HydrophobicContact CD1-CD2 3.97Å; F19-L172 HydrophobicContact CD1-CG 4.31Å; F19-L172 HydrophobicContact CD2-CD2 3.77Å; F19-L172 HydrophobicContact CD2-CG 4.34Å; F19-L172 HydrophobicContact CE1-CD2 4.1Å; F19-L172 HydrophobicContact CE1-CG 3.93Å; F19-L172 HydrophobicContact CE2-CB 4.18Å; F19-L172 HydrophobicContact CE2-CD2 3.88Å; F19-L172 HydrophobicContact CE2-CG 3.95Å; F19-L172 HydrophobicContact CG-CD2 3.83Å; F19-L172 HydrophobicContact CZ-CB 4.22Å; F19-L172 HydrophobicContact CZ-CD2 4.06Å; F19-L172 HydrophobicContact CZ-CG 3.74Å; I93-L172 HydrophobicContact CD1-CD2 4.22Å; I93-L172 HydrophobicContact CG1-CD2 3.54Å; P122-L172 HydrophobicContact CB-CD1 4.25Å; I124-L172 HydrophobicContact CD1-CB 4.2Å; I124-L172 HydrophobicContact CG2-CB 4.06Å; I124-L172 HydrophobicContact CG2-CD1 4.16Å; S168-L172 PolarHBondContact O-N 3.38Å; S168-L172 VanDerWaalsContact O-N 3.1Å; L172-R174 PolarHBondContact O-N 2.86Å; L172-I175 PolarHBondContact O-N 2.96Å; L172-V176 HydrophobicContact CD1-CG2 3.95Å; L172-V176 HydrophobicContact CG-CG2 4.36Å; L172-V176 WeakPolarHBondContact O-CB 3.39Å; L172-V176 WeakPolarHBondContact O-CG2 3.46Å; L172-V176 PolarHBondContact O-N 3.06Å
173	A	95.7	Very high	88.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-39.9	174	0	0	0	0	0	113.3	L17 F19 I58 L60 V65 F169 T170 E171 L177	L17-A173 HydrophobicContact CD1-CB 3.75Å; F19-A173 HydrophobicContact CE2-CB 4.43Å; F19-A173 HydrophobicContact CZ-CB 3.99Å; I58-A173 HydrophobicContact CD1-CB 3.84Å; L60-A173 HydrophobicContact CD2-CB 4.16Å; V65-A173 HydrophobicContact CG1-CB 4.44Å; F169-A173 WeakPolarHBondContact O-CB 3.48Å; F169-A173 PolarHBondContact O-N 3.12Å; T170-A173 PolarHBondContact O-N 3Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 3.04Å; A173-L177 WeakPolarHBondContact O-CB 3.19Å; A173-L177 WeakPolarHBondContact O-CD1 3.45Å; A173-L177 VanDerWaalsContact O-CG 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.15Å
174	R	93.9	Very high	86.7	Confident	61 Å²	61	55.3 Å²	55.3	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-53.6	174.4	-176.5	173.5	-69.1	110.7	2.8	111.4	L60 D61 T170 E171 L172 V176 L177 M178 W186	L60-R174 HydrophobicContact CD1-CB 4.28Å; D61-R174 IonicContact OD2-CZ 3.71Å; D61-R174 IonicContact OD2-NE 2.79Å; D61-R174 IonicContact OD2-NH2 3.02Å; D61-R174 PolarHBondContact OD2-NH2 2.62Å; T170-R174 PolarHBondContact O-N 2.75Å; E171-R174 WeakPolarHBondContact O-CB 3.45Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 VanDerWaalsContact O-N 3.1Å; E171-R174 IonicContact OE2-CZ 3.74Å; E171-R174 IonicContact OE2-NH1 3.35Å; E171-R174 PolarHBondContact OE2-NH1 2.89Å; L172-R174 PolarHBondContact O-N 2.86Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 3.07Å; R174-L177 PolarHBondContact O-N 3.41Å; R174-M178 HydrophobicContact CG-CE 3.66Å; R174-M178 HydrophobicContact CG-SD 3.94Å; R174-M178 WeakPolarHBondContact O-CB 3.42Å; R174-M178 VanDerWaalsContact O-CG 3.31Å; R174-M178 WeakPolarHBondContact O-CG 3.39Å; R174-M178 PolarHBondContact O-N 3.11Å; R174-W186 HydrophobicContact CG-CH2 4.05Å; R174-W186 HydrophobicContact CG-CZ2 4.39Å
175	I	94	Very high	84.8	Confident	50 Å²	50	57.3 Å²	57.3	26%	0.256	27%	0.27	S	S	.	.	H	α-helix	trans	-56.6	-46.1	179.3	-64.8	164.7	0	0	0	111	P122 I124 T153 E171 L172 R179	P122-I175 HydrophobicContact CB-CG2 3.77Å; P122-I175 HydrophobicContact CG-CG2 4.32Å; I124-I175 HydrophobicContact CG2-CD1 4.31Å; T153-I175 HydrophobicContact CG2-CD1 4.18Å; E171-I175 HydrophobicContact CG-CD1 4.05Å; E171-I175 WeakPolarHBondContact O-CG1 3.4Å; E171-I175 PolarHBondContact O-N 3.21Å; L172-I175 PolarHBondContact O-N 2.96Å; I175-R179 WeakPolarHBondContact O-CB 3.5Å; I175-R179 PolarHBondContact O-N 3.47Å; I175-R179 VanDerWaalsContact O-N 3.1Å
176	V	94.4	Very high	82.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-45.5	-178.6	170.3	0	0	0	0	111.9	L17 F19 Q90 P122 L172 R174 R179 H180	L17-V176 HydrophobicContact CD1-CG1 4.29Å; L17-V176 HydrophobicContact CD2-CG1 3.81Å; F19-V176 HydrophobicContact CE1-CG2 4.15Å; Q90-V176 HydrophobicContact CB-CG1 3.99Å; Q90-V176 WeakPolarHBondContact O-CG2 3.43Å; P122-V176 HydrophobicContact CB-CG2 4.17Å; P122-V176 HydrophobicContact CG-CG2 3.95Å; L172-V176 HydrophobicContact CD1-CG2 3.95Å; L172-V176 HydrophobicContact CG-CG2 4.36Å; L172-V176 WeakPolarHBondContact O-CB 3.39Å; L172-V176 WeakPolarHBondContact O-CG2 3.46Å; L172-V176 PolarHBondContact O-N 3.06Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 3.07Å; V176-R179 PolarHBondContact O-N 2.83Å; V176-H180 PolarHBondContact O-CD2 2.95Å; V176-H180 PolarHBondContact O-N 2.98Å; V176-H180 VanDerWaalsContact O-N 3.16Å
177	L	91.1	Very high	80.9	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-69.3	-40.2	-179.7	-69.9	166.7	0	0	0	112.3	F15 L17 L60 V65 A173 R174 H180 M182	F15-L177 HydrophobicContact CB-CD2 4.11Å; F15-L177 HydrophobicContact CD1-CD2 4.13Å; F15-L177 HydrophobicContact CD2-CD1 3.63Å; F15-L177 HydrophobicContact CD2-CD2 3.63Å; F15-L177 HydrophobicContact CD2-CG 4.31Å; F15-L177 HydrophobicContact CE1-CD2 4.47Å; F15-L177 HydrophobicContact CE2-CD1 4.01Å; F15-L177 HydrophobicContact CE2-CD2 3.99Å; F15-L177 HydrophobicContact CG-CD1 4.42Å; F15-L177 HydrophobicContact CG-CD2 3.71Å; F15-L177 HydrophobicContact CZ-CD2 4.4Å; L17-L177 HydrophobicContact CD1-CD1 4.37Å; L17-L177 HydrophobicContact CD1-CG 4.19Å; L17-L177 HydrophobicContact CD2-CD2 4.06Å; L17-L177 HydrophobicContact CD2-CG 4.47Å; L60-L177 HydrophobicContact CD2-CD1 3.53Å; V65-L177 HydrophobicContact CG2-CD1 4.16Å; A173-L177 WeakPolarHBondContact O-CB 3.19Å; A173-L177 WeakPolarHBondContact O-CD1 3.45Å; A173-L177 VanDerWaalsContact O-CG 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.15Å; R174-L177 PolarHBondContact O-N 3.41Å; L177-H180 PolarHBondContact O-N 3.19Å; L177-M182 HydrophobicContact CD2-SD 3.58Å; L177-M182 VanDerWaalsContact CD2-SD 3.58Å; L177-M182 VanDerWaalsContact O-CB 3.26Å; L177-M182 WeakPolarHBondContact O-CB 3.44Å; L177-M182 PolarHBondContact O-N 3.09Å
178	M	87.9	Confident	78.6	Confident	78 Å²	78	67.9 Å²	67.9	38%	0.384	31%	0.312	S	S	.	.	H	α-helix	trans	-56.3	-51.7	172.8	-75	175.5	171.6	0	0	110.8	R174 H180 G181	R174-M178 HydrophobicContact CG-CE 3.66Å; R174-M178 HydrophobicContact CG-SD 3.94Å; R174-M178 WeakPolarHBondContact O-CB 3.42Å; R174-M178 VanDerWaalsContact O-CG 3.31Å; R174-M178 WeakPolarHBondContact O-CG 3.39Å; R174-M178 PolarHBondContact O-N 3.11Å; M178-H180 VanDerWaalsContact C-N 3.27Å; M178-H180 PolarHBondContact O-N 3.2Å; M178-G181 WeakPolarHBondContact O-CA 3.48Å; M178-G181 PolarHBondContact O-N 3.3Å
179	R	85.3	Confident	76.4	Confident	159 Å²	159	74.3 Å²	74.3	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-30.5	-179.3	-169.4	-177.2	-178.2	-164.4	11.2	114.1	G120 P122 I175 V176 G181	G120-R179 PolarHBondContact O-NH1 3.12Å; G120-R179 PolarHBondContact O-NH2 3.49Å; P122-R179 VanDerWaalsContact CD-NH1 3.31Å; I175-R179 WeakPolarHBondContact O-CB 3.5Å; I175-R179 PolarHBondContact O-N 3.47Å; I175-R179 VanDerWaalsContact O-N 3.1Å; V176-R179 PolarHBondContact O-N 2.83Å; R179-G181 PolarHBondContact O-N 3.45Å; R179-G181 VanDerWaalsContact O-N 3.16Å
180	H	81.4	Confident	74.3	Confident	108 Å²	108	82.3 Å²	82.3	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	11.4	172.2	-75.2	-58.3	0	0	0	113.9	V176 L177 M178 M182	V176-H180 PolarHBondContact O-CD2 2.95Å; V176-H180 PolarHBondContact O-N 2.98Å; V176-H180 VanDerWaalsContact O-N 3.16Å; L177-H180 PolarHBondContact O-N 3.19Å; M178-H180 VanDerWaalsContact C-N 3.27Å; M178-H180 PolarHBondContact O-N 3.2Å; H180-M182 VanDerWaalsContact C-N 3.26Å; H180-M182 HydrophobicContact CB-CE 4.23Å; H180-M182 HydrophobicContact CB-CG 4.16Å; H180-M182 PolarHBondContact O-N 3.2Å
181	G	68.7	Low	72.6	Confident	39 Å²	39	87.7 Å²	87.7	40%	0.402	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	18.4	177.9	0	0	0	0	0	113.6	M178 R179 E183	M178-G181 WeakPolarHBondContact O-CA 3.48Å; M178-G181 PolarHBondContact O-N 3.3Å; R179-G181 PolarHBondContact O-N 3.45Å; R179-G181 VanDerWaalsContact O-N 3.16Å; G181-E183 PolarHBondContact O-N 2.85Å
182	M	63.8	Low	71	Confident	59 Å²	59	88 Å²	88	29%	0.291	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-83	5	-177.5	-54.5	-163.7	175.5	0	0	113.4	F15 L177 H180 R184 L185 W186	F15-M182 HydrophobicContact CD1-SD 3.9Å; F15-M182 HydrophobicContact CE1-CE 4.37Å; F15-M182 HydrophobicContact CE1-SD 3.39Å; F15-M182 WeakPolarHBondContact CE1-SD 3.43Å; F15-M182 HydrophobicContact CZ-SD 3.76Å; L177-M182 HydrophobicContact CD2-SD 3.58Å; L177-M182 VanDerWaalsContact CD2-SD 3.58Å; L177-M182 VanDerWaalsContact O-CB 3.26Å; L177-M182 WeakPolarHBondContact O-CB 3.44Å; L177-M182 PolarHBondContact O-N 3.09Å; H180-M182 VanDerWaalsContact C-N 3.26Å; H180-M182 HydrophobicContact CB-CE 4.23Å; H180-M182 HydrophobicContact CB-CG 4.16Å; H180-M182 PolarHBondContact O-N 3.2Å; M182-R184 PolarHBondContact O-N 3.2Å; M182-R184 VanDerWaalsContact O-N 3.08Å; M182-L185 HydrophobicContact CB-CD1 4.23Å; M182-L185 HydrophobicContact CG-CD1 4.37Å; M182-L185 WeakPolarHBondContact O-CA 3.5Å; M182-L185 VanDerWaalsContact O-CB 3.31Å; M182-L185 WeakPolarHBondContact O-CB 3.39Å; M182-L185 PolarHBondContact O-N 3.47Å; M182-L185 HydrophobicContact SD-CD1 4.3Å; M182-W186 PolarHBondContact O-N 2.86Å; M182-W186 VanDerWaalsContact O-N 3.16Å
183	E	56.8	Low	70	Confident	133 Å²	133	90.4 Å²	90.4	62%	0.621	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-46.9	-35.8	167.4	-60.9	176.5	-179.9	0	0	112.8	G181 L185 W186	G181-E183 PolarHBondContact O-N 2.85Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.28Å; E183-W186 CarbonylContact O-C 3.59Å; E183-W186 VanDerWaalsContact O-C 3.27Å; E183-W186 VanDerWaalsContact O-CA 3.26Å; E183-W186 WeakPolarHBondContact O-CA 3.35Å; E183-W186 VanDerWaalsContact O-CB 3.26Å; E183-W186 WeakPolarHBondContact O-CB 3.39Å; E183-W186 PolarHBondContact O-N 2.98Å
184	R	55.2	Low	69	Low	211 Å²	211	97 Å²	97	80%	0.796	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-69.1	-22	177.3	-67	-177.5	-67.1	162.4	-0.6	113.8	M182	M182-R184 PolarHBondContact O-N 3.2Å; M182-R184 VanDerWaalsContact O-N 3.08Å
185	L	55.2	Low	68.3	Low	83 Å²	83	98.6 Å²	98.6	44%	0.435	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-18.3	168.4	-57.7	177.7	0	0	0	111.6	F15 R63 M182 E183 R187	F15-L185 HydrophobicContact CE1-CD1 3.81Å; F15-L185 HydrophobicContact CZ-CB 4.49Å; F15-L185 HydrophobicContact CZ-CD1 3.71Å; R63-L185 PolarHBondContact NH2-O 3.39Å; M182-L185 HydrophobicContact CB-CD1 4.23Å; M182-L185 HydrophobicContact CG-CD1 4.37Å; M182-L185 WeakPolarHBondContact O-CA 3.5Å; M182-L185 VanDerWaalsContact O-CB 3.31Å; M182-L185 WeakPolarHBondContact O-CB 3.39Å; M182-L185 PolarHBondContact O-N 3.47Å; M182-L185 HydrophobicContact SD-CD1 4.3Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.28Å; L185-R187 PolarHBondContact O-N 2.97Å
186	W	53.3	Low	67.5	Low	61 Å²	61	98.7 Å²	98.7	23%	0.231	48%	0.479	C	S	.	.			trans	-88.1	33.4	172.2	-147.9	-78.4	0	0	0	112.6	L60 D61 R174 M182 E183 P188	L60-W186 HydrophobicContact CD1-CH2 3.91Å; L60-W186 HydrophobicContact CD2-CH2 3.7Å; L60-W186 HydrophobicContact CD2-CZ3 3.65Å; L60-W186 HydrophobicContact CG-CH2 3.57Å; L60-W186 HydrophobicContact CG-CZ3 3.91Å; D61-W186 HydrophobicContact CB-CH2 3.86Å; D61-W186 HydrophobicContact CB-CZ2 3.54Å; D61-W186 HydrophobicContact CB-CZ3 4.43Å; D61-W186 WeakPolarHBondContact OD1-CZ2 3.23Å; D61-W186 WeakPolarHBondContact OD2-CH2 3.17Å; D61-W186 WeakPolarHBondContact OD2-CZ2 3.46Å; R174-W186 HydrophobicContact CG-CH2 4.05Å; R174-W186 HydrophobicContact CG-CZ2 4.39Å; M182-W186 PolarHBondContact O-N 2.86Å; M182-W186 VanDerWaalsContact O-N 3.16Å; E183-W186 CarbonylContact O-C 3.59Å; E183-W186 VanDerWaalsContact O-C 3.27Å; E183-W186 VanDerWaalsContact O-CA 3.26Å; E183-W186 WeakPolarHBondContact O-CA 3.35Å; E183-W186 VanDerWaalsContact O-CB 3.26Å; E183-W186 WeakPolarHBondContact O-CB 3.39Å; E183-W186 PolarHBondContact O-N 2.98Å; W186-P188 WeakPolarHBondContact O-CD 3.31Å; W186-P188 VanDerWaalsContact O-N 3.12Å
187	R	51.3	Low	66.8	Low	214 Å²	214	102.6 Å²	102.6	81%	0.808	50%	0.5	S	S	*	.			trans	-59.3	118.4	152.4	-71	-170.7	178.5	-129.6	-3.9	105.3	L185 N189	L185-R187 PolarHBondContact O-N 2.97Å; R187-N189 PolarHBondContact O-N 2.99Å
188	P	44.1	Very low	66.3	Low	97 Å²	97	105.3 Å²	105.3	63%	0.63	52%	0.518	S	S	*	.			trans	-58	143.9	-176.6	23.9	-33.7	0	0	0	108.4	W186 K190	W186-P188 WeakPolarHBondContact O-CD 3.31Å; W186-P188 VanDerWaalsContact O-N 3.12Å; P188-K190 PolarHBondContact O-N 2.7Å
189	N	49.3	Very low	66.1	Low	137 Å²	137	102 Å²	102	73%	0.733	50%	0.503	S	S	*	.			trans	-70.8	57.6	165.3	-90.1	-29.9	0	0	0	110	R187 V191	R187-N189 PolarHBondContact O-N 2.99Å; N189-V191 PolarHBondContact O-N 3.14Å
190	K	52.5	Low	66	Low	168 Å²	168	99 Å²	99	73%	0.73	49%	0.491	S	S	*	.			trans	-58.4	89.2	143.5	-84.2	-166.5	167.3	-172.4	0	106.1	P188 L192	P188-K190 PolarHBondContact O-N 2.7Å; K190-L192 PolarHBondContact O-N 3.27Å
191	V	57.8	Low	66	Low	132 Å²	132	97.5 Å²	97.5	80%	0.8	49%	0.493	S	S	*	.			trans	-48.1	101	146.4	179	0	0	0	0	104.5	N189 S193	N189-V191 PolarHBondContact O-N 3.14Å; V191-S193 PolarHBondContact O-N 3.38Å
192	L	61.8	Low	66.9	Low	53 Å²	53	98.1 Å²	98.1	28%	0.277	49%	0.487	S	S	.	.			trans	-56.4	129.6	179	-72	174.9	0	0	0	106.2	K190 D196 L197	K190-L192 PolarHBondContact O-N 3.27Å; L192-D196 HydrophobicContact CB-CB 3.82Å; L192-D196 HydrophobicContact CD2-CB 4.03Å; L192-D196 HydrophobicContact CG-CB 4.44Å; L192-L197 HydrophobicContact CB-CD2 3.78Å; L192-L197 HydrophobicContact CB-CG 3.77Å; L192-L197 HydrophobicContact CD1-CD2 3.83Å; L192-L197 HydrophobicContact CG-CD2 4.47Å
193	S	76.5	Confident	67.9	Low	52 Å²	52	95.8 Å²	95.8	36%	0.364	48%	0.476	S	S	.	.			trans	-56.5	155.2	179.1	65.6	0	0	0	0	109.3	V191 Q195 D196 L197	V191-S193 PolarHBondContact O-N 3.38Å; S193-Q195 PolarHBondContact O-N 2.77Å; S193-Q195 VanDerWaalsContact O-N 3.08Å; S193-D196 WeakPolarHBondContact CB-OD2 3.28Å; S193-D196 PolarHBondContact N-OD2 3.23Å; S193-D196 VanDerWaalsContact N-OD2 3.1Å; S193-D196 WeakPolarHBondContact O-CA 3Å; S193-D196 WeakPolarHBondContact O-CB 3.5Å; S193-D196 PolarHBondContact O-N 2.81Å; S193-D196 PolarHBondContact OG-N 3.17Å; S193-D196 PolarHBondContact OG-OD2 2.77Å; S193-L197 PolarHBondContact O-N 2.84Å
194	L	74.3	Confident	69	Low	139 Å²	139	93.1 Å²	93.1	73%	0.728	47%	0.472	S	S	*	.	H	α-helix	trans	-54	-33.7	174.2	-177.1	60.3	0	0	0	110.6	L197 C198	L194-L197 PolarHBondContact O-N 3.15Å; L194-C198 VanDerWaalsContact O-CB 3.31Å; L194-C198 WeakPolarHBondContact O-CB 3.31Å; L194-C198 PolarHBondContact O-N 2.77Å; L194-C198 PolarHBondContact O-SG 2.81Å
195	Q	79.3	Confident	70.2	Confident	93 Å²	93	87.9 Å²	87.9	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-47.7	171.1	-176.4	170	-4.8	0	0	113.4	S193 L197 C198 C199 H223	S193-Q195 PolarHBondContact O-N 2.77Å; S193-Q195 VanDerWaalsContact O-N 3.08Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 2.8Å; Q195-C198 PolarHBondContact O-N 3.1Å; Q195-C199 VanDerWaalsContact O-CB 3.27Å; Q195-C199 WeakPolarHBondContact O-CB 3.28Å; Q195-C199 PolarHBondContact O-N 2.91Å; Q195-C199 PolarHBondContact O-SG 2.84Å; Q195-H223 PolarHBondContact NE2-CE1 3.23Å; Q195-H223 PolarHBondContact NE2-ND1 2.82Å; Q195-H223 PolarHBondContact NE2-NE2 3.19Å
196	D	77.3	Confident	71.5	Confident	52 Å²	52	85.1 Å²	85.1	28%	0.278	45%	0.453	S	S	.	.	H	α-helix	trans	-58.7	-43.5	173.5	-75.9	-76.6	0	0	0	112	L192 S193 C199 R200	L192-D196 HydrophobicContact CB-CB 3.82Å; L192-D196 HydrophobicContact CD2-CB 4.03Å; L192-D196 HydrophobicContact CG-CB 4.44Å; S193-D196 WeakPolarHBondContact CB-OD2 3.28Å; S193-D196 PolarHBondContact N-OD2 3.23Å; S193-D196 VanDerWaalsContact N-OD2 3.1Å; S193-D196 WeakPolarHBondContact O-CA 3Å; S193-D196 WeakPolarHBondContact O-CB 3.5Å; S193-D196 PolarHBondContact O-N 2.81Å; S193-D196 PolarHBondContact OG-N 3.17Å; S193-D196 PolarHBondContact OG-OD2 2.77Å; D196-C199 PolarHBondContact O-N 2.92Å; D196-R200 WeakPolarHBondContact O-CB 3.39Å; D196-R200 VanDerWaalsContact O-CG 3.28Å; D196-R200 WeakPolarHBondContact O-CG 3.39Å; D196-R200 PolarHBondContact O-N 2.94Å
197	L	79.7	Confident	72.8	Confident	83 Å²	83	83.6 Å²	83.6	44%	0.435	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-48.1	-179.7	-69.8	172	0	0	0	110.9	L192 S193 L194 Q195 C199 R200 S201	L192-L197 HydrophobicContact CB-CD2 3.78Å; L192-L197 HydrophobicContact CB-CG 3.77Å; L192-L197 HydrophobicContact CD1-CD2 3.83Å; L192-L197 HydrophobicContact CG-CD2 4.47Å; S193-L197 PolarHBondContact O-N 2.84Å; L194-L197 PolarHBondContact O-N 3.15Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 2.8Å; L197-C199 VanDerWaalsContact C-N 3.35Å; L197-C199 PolarHBondContact O-N 2.86Å; L197-R200 PolarHBondContact O-N 2.69Å; L197-S201 PolarHBondContact O-N 3.36Å; L197-S201 PolarHBondContact O-OG 3.26Å; L197-S201 VanDerWaalsContact O-OG 3.1Å
198	C	80.9	Confident	74.1	Confident	60 Å²	60	74.6 Å²	74.6	41%	0.405	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-42.5	173.2	-71.3	0	0	0	0	111.7	L194 Q195 R200 S201 I202	L194-C198 VanDerWaalsContact O-CB 3.31Å; L194-C198 WeakPolarHBondContact O-CB 3.31Å; L194-C198 PolarHBondContact O-N 2.77Å; L194-C198 PolarHBondContact O-SG 2.81Å; Q195-C198 PolarHBondContact O-N 3.1Å; C198-R200 PolarHBondContact O-N 2.86Å; C198-S201 PolarHBondContact O-N 3.38Å; C198-I202 HydrophobicContact CB-CD1 4.49Å; C198-I202 WeakPolarHBondContact O-CB 3.31Å; C198-I202 WeakPolarHBondContact O-CD1 3.34Å; C198-I202 WeakPolarHBondContact O-CG1 3.44Å; C198-I202 PolarHBondContact O-N 3.13Å
199	C	84.1	Confident	75.8	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.061	42%	0.415	C	S	.	.	H	α-helix	trans	-63.2	-42.4	178	-70.9	0	0	0	0	112	Q195 D196 L197 V203 L224 F227	Q195-C199 VanDerWaalsContact O-CB 3.27Å; Q195-C199 WeakPolarHBondContact O-CB 3.28Å; Q195-C199 PolarHBondContact O-N 2.91Å; Q195-C199 PolarHBondContact O-SG 2.84Å; D196-C199 PolarHBondContact O-N 2.92Å; L197-C199 VanDerWaalsContact C-N 3.35Å; L197-C199 PolarHBondContact O-N 2.86Å; C199-V203 VanDerWaalsContact O-CB 3.23Å; C199-V203 WeakPolarHBondContact O-CB 3.29Å; C199-V203 WeakPolarHBondContact O-CG2 3.45Å; C199-V203 PolarHBondContact O-N 3.25Å; C199-L224 HydrophobicContact CB-CD2 4Å; C199-F227 HydrophobicContact CB-CB 4.44Å; C199-F227 HydrophobicContact CB-CD1 3.76Å; C199-F227 HydrophobicContact CB-CD2 4.02Å; C199-F227 HydrophobicContact CB-CE1 3.97Å; C199-F227 HydrophobicContact CB-CE2 4.21Å; C199-F227 HydrophobicContact CB-CG 3.81Å; C199-F227 HydrophobicContact CB-CZ 4.19Å
200	R	83.2	Confident	77.4	Confident	95 Å²	95	72.7 Å²	72.7	36%	0.358	40%	0.4	S	S	.	.	H	α-helix	trans	-59.4	-51.7	173.7	-73.9	171.6	-175.5	-77.4	-11.2	111.5	D196 L197 C198 V203 S204 F227	D196-R200 WeakPolarHBondContact O-CB 3.39Å; D196-R200 VanDerWaalsContact O-CG 3.28Å; D196-R200 WeakPolarHBondContact O-CG 3.39Å; D196-R200 PolarHBondContact O-N 2.94Å; L197-R200 PolarHBondContact O-N 2.69Å; C198-R200 PolarHBondContact O-N 2.86Å; R200-V203 PolarHBondContact O-N 3.37Å; R200-S204 WeakPolarHBondContact O-CB 3.3Å; R200-S204 PolarHBondContact O-N 2.83Å; R200-S204 PolarHBondContact O-OG 3.28Å; R200-S204 VanDerWaalsContact O-OG 3.07Å; R200-F227 HydrophobicContact CG-CE1 3.66Å; R200-F227 HydrophobicContact CG-CZ 3.61Å
201	S	82	Confident	78.9	Confident	77 Å²	77	64.7 Å²	64.7	54%	0.538	37%	0.365	S	S	.	.	H	α-helix	trans	-66.2	-38.1	-176.8	-60.5	0	0	0	0	113.4	L197 C198 S204	L197-S201 PolarHBondContact O-N 3.36Å; L197-S201 PolarHBondContact O-OG 3.26Å; L197-S201 VanDerWaalsContact O-OG 3.1Å; C198-S201 PolarHBondContact O-N 3.38Å; S201-S204 WeakPolarHBondContact CA-OG 3.31Å; S201-S204 PolarHBondContact O-OG 2.87Å
202	I	85.6	Confident	80.2	Confident	52 Å²	52	62 Å²	62	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-48.8	175.8	-67.3	164.6	0	0	0	109.6	C198 S204 C205 T206 L214 L224	C198-I202 HydrophobicContact CB-CD1 4.49Å; C198-I202 WeakPolarHBondContact O-CB 3.31Å; C198-I202 WeakPolarHBondContact O-CD1 3.34Å; C198-I202 WeakPolarHBondContact O-CG1 3.44Å; C198-I202 PolarHBondContact O-N 3.13Å; I202-S204 PolarHBondContact O-N 3.42Å; I202-C205 CarbonylContact O-C 3.14Å; I202-C205 PolarHBondContact O-N 3.43Å; I202-T206 WeakPolarHBondContact O-CB 3.43Å; I202-T206 PolarHBondContact O-N 2.76Å; I202-T206 PolarHBondContact O-OG1 2.88Å; I202-L214 HydrophobicContact CG2-CD1 3.81Å; I202-L224 HydrophobicContact CB-CD2 3.92Å; I202-L224 HydrophobicContact CD1-CD1 4.39Å; I202-L224 HydrophobicContact CD1-CD2 4.19Å; I202-L224 HydrophobicContact CG2-CD1 3.98Å; I202-L224 HydrophobicContact CG2-CD2 3.86Å
203	V	85.3	Confident	81.3	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-32.7	-177.9	171	0	0	0	0	112.6	C199 R200 C205 L224 F227 S228 L233	C199-V203 VanDerWaalsContact O-CB 3.23Å; C199-V203 WeakPolarHBondContact O-CB 3.29Å; C199-V203 WeakPolarHBondContact O-CG2 3.45Å; C199-V203 PolarHBondContact O-N 3.25Å; R200-V203 PolarHBondContact O-N 3.37Å; V203-C205 PolarHBondContact O-N 2.97Å; V203-L224 HydrophobicContact CG2-CD2 4.1Å; V203-F227 HydrophobicContact CG2-CD1 4.48Å; V203-S228 VanDerWaalsContact CG1-OG 3.25Å; V203-S228 WeakPolarHBondContact CG1-OG 3.4Å; V203-L233 HydrophobicContact CB-CD1 4.36Å; V203-L233 HydrophobicContact CG1-CB 3.9Å; V203-L233 HydrophobicContact CG1-CD1 3.66Å; V203-L233 HydrophobicContact CG1-CG 4.43Å
204	S	80.5	Confident	81.8	Confident	77 Å²	77	67.3 Å²	67.3	54%	0.538	36%	0.362	S	S	.	.	H	α-helix	trans	-66.3	-20.8	175.7	56.8	0	0	0	0	113.9	R200 S201 I202	R200-S204 WeakPolarHBondContact O-CB 3.3Å; R200-S204 PolarHBondContact O-N 2.83Å; R200-S204 PolarHBondContact O-OG 3.28Å; R200-S204 VanDerWaalsContact O-OG 3.07Å; S201-S204 WeakPolarHBondContact CA-OG 3.31Å; S201-S204 PolarHBondContact O-OG 2.87Å; I202-S204 PolarHBondContact O-N 3.42Å
205	C	79.5	Confident	82.4	Confident	101 Å²	101	67 Å²	67	68%	0.682	37%	0.369	S	S	*	.	H	α-helix	trans	-116.1	-9	-176.2	-59.1	0	0	0	0	113.4	I202 V203	I202-C205 CarbonylContact O-C 3.14Å; I202-C205 PolarHBondContact O-N 3.43Å; V203-C205 PolarHBondContact O-N 2.97Å
206	T	82.4	Confident	82.7	Confident	24 Å²	24	65.2 Å²	65.2	15%	0.147	36%	0.362	C	S	.	.	S	Bend	trans	-125.6	109	-175.3	-43.2	0	0	0	0	110.4	I202 L210 V211 L214	I202-T206 WeakPolarHBondContact O-CB 3.43Å; I202-T206 PolarHBondContact O-N 2.76Å; I202-T206 PolarHBondContact O-OG1 2.88Å; T206-L210 HydrophobicContact CG2-CB 3.98Å; T206-V211 HydrophobicContact CG2-CG2 4.07Å; T206-L214 HydrophobicContact CG2-CD1 4.3Å; T206-L214 HydrophobicContact CG2-CD2 4.25Å; T206-L214 HydrophobicContact CG2-CG 4.41Å
207	P	80.9	Confident	83.2	Confident	29 Å²	29	66.4 Å²	66.4	19%	0.188	37%	0.372	C	S	.	.			trans	-53	140.3	168.8	-26.7	34.6	0	0	0	111.7	H209 L210 V211 M237	P207-H209 VanDerWaalsContact CB-CE1 3.49Å; P207-H209 WeakPolarHBondContact CB-CE1 3.48Å; P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å; P207-L210 HydrophobicContact CG-CD1 4.36Å; P207-L210 WeakPolarHBondContact O-CA 3.36Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-V211 PolarHBondContact O-N 3.1Å; P207-M237 HydrophobicContact CG-CE 4.21Å; P207-M237 HydrophobicContact CG-SD 4.11Å
208	V	78.8	Confident	83.5	Confident	26 Å²	26	69.6 Å²	69.6	16%	0.158	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-56	-31.6	-173.5	153.7	0	0	0	0	114.4	L210 V211 K225 S228 N234	V208-L210 PolarHBondContact O-N 2.8Å; V208-V211 WeakPolarHBondContact O-CB 3.48Å; V208-V211 PolarHBondContact O-N 3.05Å; V208-K225 HydrophobicContact CG1-CG 4.41Å; V208-S228 VanDerWaalsContact CG2-CB 3.49Å; V208-S228 WeakPolarHBondContact CG2-OG 3.3Å; V208-N234 WeakPolarHBondContact CG2-OD1 3.35Å
209	H	80.3	Confident	83.6	Confident	115 Å²	115	71.7 Å²	71.7	53%	0.532	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-71.9	-15	176	64.1	-97.2	0	0	0	113.9	P207	P207-H209 VanDerWaalsContact CB-CE1 3.49Å; P207-H209 WeakPolarHBondContact CB-CE1 3.48Å; P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å
210	L	83.3	Confident	83.6	Confident	78 Å²	78	74.9 Å²	74.9	41%	0.408	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-96.2	-10.8	173.7	-59.6	-175.1	0	0	0	113.1	T206 P207 V208 D212 K213 L214	T206-L210 HydrophobicContact CG2-CB 3.98Å; P207-L210 HydrophobicContact CG-CD1 4.36Å; P207-L210 WeakPolarHBondContact O-CA 3.36Å; P207-L210 PolarHBondContact O-N 3.41Å; V208-L210 PolarHBondContact O-N 2.8Å; L210-D212 PolarHBondContact O-N 3.32Å; L210-K213 WeakPolarHBondContact O-CA 3.18Å; L210-K213 WeakPolarHBondContact O-CB 3.44Å; L210-K213 PolarHBondContact O-N 3.12Å; L210-L214 PolarHBondContact O-N 3.31Å
211	V	84.2	Confident	83.7	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.8	176.1	173.3	0	0	0	0	111.5	T206 P207 V208 K213 L214 K221 L224 K225	T206-V211 HydrophobicContact CG2-CG2 4.07Å; P207-V211 PolarHBondContact O-N 3.1Å; V208-V211 WeakPolarHBondContact O-CB 3.48Å; V208-V211 PolarHBondContact O-N 3.05Å; V211-K213 PolarHBondContact O-N 2.87Å; V211-L214 HydrophobicContact CG1-CD1 4.43Å; V211-L214 PolarHBondContact O-N 2.74Å; V211-K221 HydrophobicContact CG1-CB 4.3Å; V211-K221 HydrophobicContact CG1-CG 4.46Å; V211-K221 WeakPolarHBondContact O-CE 3.41Å; V211-L224 HydrophobicContact CG1-CB 3.81Å; V211-L224 HydrophobicContact CG1-CD1 4.18Å; V211-K225 HydrophobicContact CB-CG 4.49Å; V211-K225 HydrophobicContact CG1-CG 4.19Å
212	D	83.5	Confident	83.9	Confident	75 Å²	75	71.3 Å²	71.3	40%	0.401	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-66.3	-24.4	174.3	-67.1	-49.2	0	0	0	113.8	L210 K221 K225	L210-D212 PolarHBondContact O-N 3.32Å; D212-K221 WeakPolarHBondContact O-CE 3.42Å; D212-K221 PolarHBondContact O-NZ 3.32Å; D212-K225 WeakPolarHBondContact OD1-CE 3.37Å; D212-K225 IonicContact OD1-NZ 2.68Å; D212-K225 PolarHBondContact OD1-NZ 2.77Å; D212-K225 VanDerWaalsContact OD2-CE 3.28Å; D212-K225 WeakPolarHBondContact OD2-CE 3.24Å; D212-K225 IonicContact OD2-NZ 2.66Å; D212-K225 PolarHBondContact OD2-NZ 3.47Å
213	K	86.2	Confident	83.8	Confident	176 Å²	176	72.8 Å²	72.8	77%	0.765	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-86.5	-11.1	-179.7	-59	-62.8	-174.6	177.3	0	113.5	L210 V211	L210-K213 WeakPolarHBondContact O-CA 3.18Å; L210-K213 WeakPolarHBondContact O-CB 3.44Å; L210-K213 PolarHBondContact O-N 3.12Å; V211-K213 PolarHBondContact O-N 2.87Å
214	L	85.6	Confident	83.9	Confident	41 Å²	41	72.4 Å²	72.4	22%	0.215	40%	0.4	C	S	.	.	S	Bend	trans	-63.3	146.1	176.1	-62.2	176	0	0	0	111.4	I202 T206 L210 V211 L216 K221 L224	I202-L214 HydrophobicContact CG2-CD1 3.81Å; T206-L214 HydrophobicContact CG2-CD1 4.3Å; T206-L214 HydrophobicContact CG2-CD2 4.25Å; T206-L214 HydrophobicContact CG2-CG 4.41Å; L210-L214 PolarHBondContact O-N 3.31Å; V211-L214 HydrophobicContact CG1-CD1 4.43Å; V211-L214 PolarHBondContact O-N 2.74Å; L214-L216 HydrophobicContact CB-CB 4.41Å; L214-L216 HydrophobicContact CB-CD1 4Å; L214-L216 HydrophobicContact CB-CG 4.01Å; L214-L216 HydrophobicContact CD1-CD1 3.82Å; L214-L216 PolarHBondContact O-N 2.76Å; L214-K221 WeakPolarHBondContact O-CE 3.36Å; L214-K221 PolarHBondContact O-NZ 3.3Å; L214-L224 HydrophobicContact CD1-CD1 4.21Å
215	P	88.5	Confident	84.1	Confident	133 Å²	133	71.6 Å²	71.6	86%	0.864	39%	0.387	S	S	*	.	S	Bend	trans	-78.8	57.8	174.6	34.3	-36.3	0	0	0	111.3
216	L	84.6	Confident	84.2	Confident	55 Å²	55	70.3 Å²	70.3	29%	0.288	38%	0.379	S	S	.	.	S	Bend	trans	-124	149.9	-175.6	-64.9	177.9	0	0	0	112.1	L214 K221 L224	L214-L216 HydrophobicContact CB-CB 4.41Å; L214-L216 HydrophobicContact CB-CD1 4Å; L214-L216 HydrophobicContact CB-CG 4.01Å; L214-L216 HydrophobicContact CD1-CD1 3.82Å; L214-L216 PolarHBondContact O-N 2.76Å; L216-K221 HydrophobicContact CB-CG 4.27Å; L216-K221 WeakPolarHBondContact O-CE 3.44Å; L216-L224 HydrophobicContact CD1-CD1 3.81Å
217	P	87.9	Confident	84.3	Confident	77 Å²	77	70 Å²	70	50%	0.5	38%	0.376	S	S	.	.			trans	-52.9	147	170.4	-27.7	35.2	0	0	0	113.6	T219 L220 K221	P217-T219 PolarHBondContact O-N 2.66Å; P217-L220 PolarHBondContact O-N 3.3Å; P217-K221 PolarHBondContact O-N 2.78Å; P217-K221 VanDerWaalsContact O-N 3.08Å
218	H	85.6	Confident	84.3	Confident	150 Å²	150	68.7 Å²	68.7	69%	0.694	37%	0.367	S	S	*	.	H	α-helix	trans	-56.9	-36	-178.2	-177.8	-108.6	0	0	0	113.3	K221 S222	H218-K221 PolarHBondContact O-N 3.32Å; H218-S222 WeakPolarHBondContact O-CB 3.09Å; H218-S222 PolarHBondContact O-N 3.43Å
219	T	82.7	Confident	84.2	Confident	105 Å²	105	74 Å²	74	64%	0.644	39%	0.392	S	S	*	.	H	α-helix	trans	-59.5	-45.3	175.1	46.9	0	0	0	0	112.4	P217 H223	P217-T219 PolarHBondContact O-N 2.66Å; T219-H223 WeakPolarHBondContact O-CB 3.34Å; T219-H223 PolarHBondContact O-N 3.15Å
220	L	84.1	Confident	83.7	Confident	75 Å²	75	72.6 Å²	72.6	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-70	-37.5	176.9	-62.5	-173.8	0	0	0	111.9	P217 H223 L224	P217-L220 PolarHBondContact O-N 3.3Å; L220-H223 PolarHBondContact O-N 3.33Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.31Å
221	K	86.6	Confident	82.9	Confident	36 Å²	36	72 Å²	72	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-60.7	-45.6	174.1	-70.5	178.3	170	176	0	112.3	V211 D212 L214 L216 P217 H218 L224 K225	V211-K221 HydrophobicContact CG1-CB 4.3Å; V211-K221 HydrophobicContact CG1-CG 4.46Å; V211-K221 WeakPolarHBondContact O-CE 3.41Å; D212-K221 WeakPolarHBondContact O-CE 3.42Å; D212-K221 PolarHBondContact O-NZ 3.32Å; L214-K221 WeakPolarHBondContact O-CE 3.36Å; L214-K221 PolarHBondContact O-NZ 3.3Å; L216-K221 HydrophobicContact CB-CG 4.27Å; L216-K221 WeakPolarHBondContact O-CE 3.44Å; P217-K221 PolarHBondContact O-N 2.78Å; P217-K221 VanDerWaalsContact O-N 3.08Å; H218-K221 PolarHBondContact O-N 3.32Å; K221-L224 PolarHBondContact O-N 3.23Å; K221-K225 WeakPolarHBondContact O-CG 3.28Å; K221-K225 PolarHBondContact O-N 2.82Å
222	S	85.6	Confident	81.7	Confident	61 Å²	61	74.6 Å²	74.6	43%	0.427	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-46.9	174.7	-176	0	0	0	0	111.2	H218 L224 K225 S226	H218-S222 WeakPolarHBondContact O-CB 3.09Å; H218-S222 PolarHBondContact O-N 3.43Å; S222-L224 PolarHBondContact O-N 2.94Å; S222-K225 PolarHBondContact O-N 3.29Å; S222-S226 PolarHBondContact O-N 3.02Å; S222-S226 PolarHBondContact O-OG 3.11Å
223	H	84.7	Confident	80.5	Confident	83 Å²	83	74.5 Å²	74.5	38%	0.384	42%	0.423	S	S	.	.	H	α-helix	trans	-60	-44.9	177.2	-161.2	110.2	0	0	0	112.4	Q195 T219 L220 K225 S226 F227	Q195-H223 PolarHBondContact NE2-CE1 3.23Å; Q195-H223 PolarHBondContact NE2-ND1 2.82Å; Q195-H223 PolarHBondContact NE2-NE2 3.19Å; T219-H223 WeakPolarHBondContact O-CB 3.34Å; T219-H223 PolarHBondContact O-N 3.15Å; L220-H223 PolarHBondContact O-N 3.33Å; H223-K225 PolarHBondContact O-N 3.18Å; H223-S226 PolarHBondContact O-N 3.47Å; H223-F227 VanDerWaalsContact O-CB 3.23Å; H223-F227 WeakPolarHBondContact O-CB 3.44Å; H223-F227 PolarHBondContact O-N 2.82Å
224	L	86.9	Confident	78.7	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	40%	0.404	C	S	.	.	H	α-helix	trans	-61.3	-41.1	177	-75.7	165.8	0	0	0	112.6	C199 I202 V203 V211 L214 L216 L220 K221 S222 S228	C199-L224 HydrophobicContact CB-CD2 4Å; I202-L224 HydrophobicContact CB-CD2 3.92Å; I202-L224 HydrophobicContact CD1-CD1 4.39Å; I202-L224 HydrophobicContact CD1-CD2 4.19Å; I202-L224 HydrophobicContact CG2-CD1 3.98Å; I202-L224 HydrophobicContact CG2-CD2 3.86Å; V203-L224 HydrophobicContact CG2-CD2 4.1Å; V211-L224 HydrophobicContact CG1-CB 3.81Å; V211-L224 HydrophobicContact CG1-CD1 4.18Å; L214-L224 HydrophobicContact CD1-CD1 4.21Å; L216-L224 HydrophobicContact CD1-CD1 3.81Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.31Å; K221-L224 PolarHBondContact O-N 3.23Å; S222-L224 PolarHBondContact O-N 2.94Å; L224-S228 VanDerWaalsContact O-CB 3.28Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 2.72Å
225	K	84	Confident	76.8	Confident	60 Å²	60	72.3 Å²	72.3	26%	0.261	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-52.6	174.8	-77.3	176	163.6	178.2	0	111.4	V208 V211 D212 K221 S222 H223 F227 S228 M229	V208-K225 HydrophobicContact CG1-CG 4.41Å; V211-K225 HydrophobicContact CB-CG 4.49Å; V211-K225 HydrophobicContact CG1-CG 4.19Å; D212-K225 WeakPolarHBondContact OD1-CE 3.37Å; D212-K225 IonicContact OD1-NZ 2.68Å; D212-K225 PolarHBondContact OD1-NZ 2.77Å; D212-K225 VanDerWaalsContact OD2-CE 3.28Å; D212-K225 WeakPolarHBondContact OD2-CE 3.24Å; D212-K225 IonicContact OD2-NZ 2.66Å; D212-K225 PolarHBondContact OD2-NZ 3.47Å; K221-K225 WeakPolarHBondContact O-CG 3.28Å; K221-K225 PolarHBondContact O-N 2.82Å; S222-K225 PolarHBondContact O-N 3.29Å; H223-K225 PolarHBondContact O-N 3.18Å; K225-F227 VanDerWaalsContact C-N 3.34Å; K225-F227 PolarHBondContact O-N 3.11Å; K225-S228 WeakPolarHBondContact O-CB 3.31Å; K225-S228 PolarHBondContact O-N 3.38Å; K225-M229 PolarHBondContact O-N 2.57Å
226	S	82.4	Confident	74.9	Confident	73 Å²	73	77 Å²	77	51%	0.51	43%	0.434	S	S	.	.	H	α-helix	trans	-60.1	-42.9	178.4	-61.1	0	0	0	0	112.1	S222 H223 S228 M229 A230	S222-S226 PolarHBondContact O-N 3.02Å; S222-S226 PolarHBondContact O-OG 3.11Å; H223-S226 PolarHBondContact O-N 3.47Å; S226-S228 VanDerWaalsContact C-N 3.35Å; S226-S228 PolarHBondContact O-N 2.88Å; S226-M229 PolarHBondContact O-N 3.08Å; S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.42Å; S226-A230 PolarHBondContact O-N 3Å
227	F	83.3	Confident	73	Confident	19 Å²	19	80.4 Å²	80.4	8%	0.083	45%	0.45	C	S	.	.	H	α-helix	trans	-62.6	-39.8	176.7	-172	-85.8	0	0	0	112.5	C199 R200 V203 H223 K225 N231	C199-F227 HydrophobicContact CB-CB 4.44Å; C199-F227 HydrophobicContact CB-CD1 3.76Å; C199-F227 HydrophobicContact CB-CD2 4.02Å; C199-F227 HydrophobicContact CB-CE1 3.97Å; C199-F227 HydrophobicContact CB-CE2 4.21Å; C199-F227 HydrophobicContact CB-CG 3.81Å; C199-F227 HydrophobicContact CB-CZ 4.19Å; R200-F227 HydrophobicContact CG-CE1 3.66Å; R200-F227 HydrophobicContact CG-CZ 3.61Å; V203-F227 HydrophobicContact CG2-CD1 4.48Å; H223-F227 VanDerWaalsContact O-CB 3.23Å; H223-F227 WeakPolarHBondContact O-CB 3.44Å; H223-F227 PolarHBondContact O-N 2.82Å; K225-F227 VanDerWaalsContact C-N 3.34Å; K225-F227 PolarHBondContact O-N 3.11Å; F227-N231 WeakPolarHBondContact CE1-ND2 3.37Å; F227-N231 WeakPolarHBondContact CZ-ND2 3.39Å; F227-N231 WeakPolarHBondContact O-CB 3.05Å; F227-N231 PolarHBondContact O-N 3.24Å; F227-N231 VanDerWaalsContact O-N 3.15Å; F227-N231 PolarHBondContact O-ND2 3.44Å
228	S	82	Confident	70.7	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-67.6	-41.3	177.6	-175.6	0	0	0	0	112.8	V203 V208 L224 K225 S226 G232 L233 N234	V203-S228 VanDerWaalsContact CG1-OG 3.25Å; V203-S228 WeakPolarHBondContact CG1-OG 3.4Å; V208-S228 VanDerWaalsContact CG2-CB 3.49Å; V208-S228 WeakPolarHBondContact CG2-OG 3.3Å; L224-S228 VanDerWaalsContact O-CB 3.28Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 2.72Å; K225-S228 WeakPolarHBondContact O-CB 3.31Å; K225-S228 PolarHBondContact O-N 3.38Å; S226-S228 VanDerWaalsContact C-N 3.35Å; S226-S228 PolarHBondContact O-N 2.88Å; S228-G232 PolarHBondContact O-N 2.87Å; S228-L233 PolarHBondContact O-N 3.21Å; S228-N234 PolarHBondContact O-ND2 2.87Å; S228-N234 PolarHBondContact OG-ND2 3.14Å; S228-N234 PolarHBondContact OG-OD1 2.79Å
229	M	75.8	Confident	68.4	Low	137 Å²	137	84.4 Å²	84.4	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-66.1	-47.9	174.7	-70.5	-179.2	171.2	0	0	111.4	K225 S226 N231 G232	K225-M229 PolarHBondContact O-N 2.57Å; S226-M229 PolarHBondContact O-N 3.08Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.19Å; M229-G232 PolarHBondContact O-N 2.9Å
230	A	70.7	Confident	66.1	Low	86 Å²	86	83.8 Å²	83.8	71%	0.711	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-29.9	-178.5	0	0	0	0	0	114.3	S226	S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.42Å; S226-A230 PolarHBondContact O-N 3Å
231	N	65.7	Low	63.6	Low	67 Å²	67	89.3 Å²	89.3	36%	0.358	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	4	179.1	-70.2	-82.4	0	0	0	114.2	F227 M229 L233	F227-N231 WeakPolarHBondContact CE1-ND2 3.37Å; F227-N231 WeakPolarHBondContact CZ-ND2 3.39Å; F227-N231 WeakPolarHBondContact O-CB 3.05Å; F227-N231 PolarHBondContact O-N 3.24Å; F227-N231 VanDerWaalsContact O-N 3.15Å; F227-N231 PolarHBondContact O-ND2 3.44Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.19Å; N231-L233 HydrophobicContact CB-CD1 4.1Å; N231-L233 HydrophobicContact CB-CG 4.05Å; N231-L233 PolarHBondContact O-N 3.12Å; N231-L233 VanDerWaalsContact O-N 3.13Å
232	G	59.2	Low	60.8	Low	53 Å²	53	93.5 Å²	93.5	55%	0.546	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	14	174.6	0	0	0	0	0	116.2	S228 M229 N234	S228-G232 PolarHBondContact O-N 2.87Å; M229-G232 PolarHBondContact O-N 2.9Å; G232-N234 PolarHBondContact O-N 3.18Å; G232-N234 VanDerWaalsContact O-N 3.15Å
233	L	58.3	Low	58	Low	74 Å²	74	99 Å²	99	39%	0.387	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-69.3	-15.3	-168.2	-68.4	170.6	0	0	0	114.5	V203 S228 N231 A235	V203-L233 HydrophobicContact CB-CD1 4.36Å; V203-L233 HydrophobicContact CG1-CB 3.9Å; V203-L233 HydrophobicContact CG1-CD1 3.66Å; V203-L233 HydrophobicContact CG1-CG 4.43Å; S228-L233 PolarHBondContact O-N 3.21Å; N231-L233 HydrophobicContact CB-CD1 4.1Å; N231-L233 HydrophobicContact CB-CG 4.05Å; N231-L233 PolarHBondContact O-N 3.12Å; N231-L233 VanDerWaalsContact O-N 3.13Å; L233-A235 VanDerWaalsContact C-N 3.25Å; L233-A235 PolarHBondContact O-N 3.02Å
234	N	49.5	Very low	55.6	Low	70 Å²	70	100.1 Å²	100.1	37%	0.374	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-69.7	-13	-175.4	-65.9	-66.8	0	0	0	115.3	V208 S228 G232 R236	V208-N234 WeakPolarHBondContact CG2-OD1 3.35Å; S228-N234 PolarHBondContact O-ND2 2.87Å; S228-N234 PolarHBondContact OG-ND2 3.14Å; S228-N234 PolarHBondContact OG-OD1 2.79Å; G232-N234 PolarHBondContact O-N 3.18Å; G232-N234 VanDerWaalsContact O-N 3.15Å; N234-R236 PolarHBondContact O-N 3.19Å
235	A	45.4	Very low	53	Low	100 Å²	100	106.1 Å²	106.1	83%	0.826	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-67.9	-1.6	-176	0	0	0	0	0	115.1	L233	L233-A235 VanDerWaalsContact C-N 3.25Å; L233-A235 PolarHBondContact O-N 3.02Å
236	R	48.2	Very low	50.4	Low	233 Å²	233	109.4 Å²	109.4	88%	0.879	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-107.5	-3.1	-163.3	-152	171.5	-176.4	159.2	1.9	116.5	N234	N234-R236 PolarHBondContact O-N 3.19Å
237	M	43.5	Very low	47.9	Very low	126 Å²	126	110.6 Å²	110.6	62%	0.621	63%	0.633	S	S	*	*	S	Bend	trans	-133.5	30.4	-174.5	-70.5	-168.8	71.9	0	0	114.9	P207	P207-M237 HydrophobicContact CG-CE 4.21Å; P207-M237 HydrophobicContact CG-SD 4.11Å
238	M	39.6	Very low	45.4	Very low	134 Å²	134	113.8 Å²	113.8	66%	0.66	66%	0.663	S	S	*	*	S	Bend	trans	-130.2	131.8	167.6	-72.3	-66	175.7	0	0	110.1
239	H	37.2	Very low	43.1	Very low	177 Å²	177	118.3 Å²	118.3	82%	0.819	70%	0.7	S	S	*	*	S	Bend	trans	76	121.7	-171.6	-50.4	88.1	0	0	0	116.1	R241	H239-R241 PolarHBondContact O-N 2.87Å
240	G	36.3	Very low	40.8	Very low	92 Å²	92	118.9 Å²	118.9	95%	0.948	71%	0.712	S	S	*	*	S	Bend	trans	-76.6	51	173.3	0	0	0	0	0	113.9
241	R	29.8	Very low	38.8	Very low	191 Å²	191	119.7 Å²	119.7	72%	0.721	72%	0.719	S	S	*	*	S	Bend	trans	-135.1	128.2	168.2	-84.1	-173.3	169.6	174.5	-2.7	109.4	H239 Y243	H239-R241 PolarHBondContact O-N 2.87Å; R241-Y243 HydrophobicContact CB-CD2 4.25Å; R241-Y243 HydrophobicContact CB-CE2 3.71Å; R241-Y243 WeakPolarHBondContact O-CD2 3.4Å; R241-Y243 PolarHBondContact O-N 3.18Å
242	S	28.8	Very low	37.2	Very low	123 Å²	123	120.9 Å²	120.9	86%	0.86	74%	0.737	S	S	*	*			trans	-71	111.8	180	-170.9	0	0	0	0	110.5
243	Y	27.5	Very low	35.7	Very low	178 Å²	178	126.3 Å²	126.3	70%	0.698	75%	0.748	S	S	*	*			trans	-111.9	102.4	167	-71.5	-78.2	0	0	0	108.7	R241	R241-Y243 HydrophobicContact CB-CD2 4.25Å; R241-Y243 HydrophobicContact CB-CE2 3.71Å; R241-Y243 WeakPolarHBondContact O-CD2 3.4Å; R241-Y243 PolarHBondContact O-N 3.18Å
244	S	33.7	Very low	34.3	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	77%	0.767	S	S	*	*			trans	-70.5	128	176.7	52.2	0	0	0	0	111.1
245	V	32.2	Very low	33.3	Very low	130 Å²	130	133 Å²	133	79%	0.788	79%	0.788	S	S	*	*			trans	-121.2	52.6	172.4	-158.1	0	0	0	0	111.5	A247	V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3Å
246	T	28.3	Very low	32.6	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	79%	0.785	S	S	*	*			trans	-88.8	75.9	156.1	44.7	0	0	0	0	108.8	A248	T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.12Å; T246-A248 VanDerWaalsContact O-N 3.09Å
247	A	31.8	Very low	31.8	Very low	97 Å²	97	126.1 Å²	126.1	80%	0.802	78%	0.781	S	S	*	*			trans	-84.9	62	178.8	0	0	0	0	0	111.7	V245	V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3Å
248	A	30.6	Very low	31.1	Very low	87 Å²	87	128.9 Å²	128.9	72%	0.719	79%	0.789	S	S	*	*	S	Bend	trans	-156	116.1	169.7	0	0	0	0	0	111.8	T246	T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.12Å; T246-A248 VanDerWaalsContact O-N 3.09Å
249	A	32.8	Very low	30.6	Very low	94 Å²	94	133.7 Å²	133.7	78%	0.777	80%	0.8	S	S	*	*			trans	51.2	101.1	165	0	0	0	0	0	118.9
250	T	28.1	Very low	30.3	Very low	149 Å²	149	131.1 Å²	131.1	91%	0.914	80%	0.802	S	S	*	*				-168.9	161.9	118.2	14.8	0	0	0	0	112.1
251	A	28.7	Very low	29.9	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	80%	0.795	S	S	*	*			trans	58.6	100	165.6	0	0	0	0	0	118.7
252	A	31.8	Very low	29.8	Very low	91 Å²	91	124.9 Å²	124.9	75%	0.752	80%	0.797	S	S	*	*			trans	-119.7	109.3	148.9	0	0	0	0	0	108.7
253	H	28.6	Very low	29.8	Very low	167 Å²	167	125.5 Å²	125.5	77%	0.773	80%	0.796	S	S	*	*			trans	-170.8	133	160.3	-112.3	-80.1	0	0	0	111.4
254	H	28.8	Very low	29.9	Very low	168 Å²	168	123.6 Å²	123.6	78%	0.778	80%	0.797	S	S	*	*			trans	54	120.9	171.5	-55.1	-70.2	0	0	0	117.1
255	S	28.1	Very low	29.7	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	80%	0.802	S	S	*	*			cis	178.7	-176.8	48	50.8	0	0	0	0	108.7
256	A	29.8	Very low	29.7	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	80%	0.802	S	S	*	*			cis	-164.7	139.1	-46.9	0	0	0	0	0	109.7
257	A	31	Very low	29.7	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	80%	0.803	S	S	*	*			trans	55	115.3	156.9	0	0	0	0	0	122.8
258	K	30.1	Very low	29.8	Very low	185 Å²	185	132.8 Å²	132.8	80%	0.804	80%	0.803	S	S	*	*				-170.7	123.9	106.2	-97.1	161.1	-175.3	175.8	0	110
259	R	29.1	Very low	29.8	Very low	234 Å²	234	136.9 Å²	136.9	88%	0.883	81%	0.805	S	S	*	*				60.8	132.2	104	-66.9	-173.7	177.3	-174.4	-1.9	113.8
260	S	30	Very low	29.7	Very low	124 Å²	124	140.7 Å²	140.7	87%	0.867	81%	0.811	S	S	*	*			cis	-163.3	166.3	11.9	40.4	0	0	0	0	110.5
261	G	27.7	Very low	29.9	Very low	78 Å²	78	140.3 Å²	140.3	80%	0.804	80%	0.802	S	S	*	*			cis	164.8	150.5	-6.7	0	0	0	0	0	113.1
262	G	27.7	Very low	30.1	Very low	73 Å²	73	146.8 Å²	146.8	75%	0.753	81%	0.805	S	S	*	*			trans	90.2	148.1	174.4	0	0	0	0	0	116.1
263	T	30	Very low	30.4	Very low	136 Å²	136	147.9 Å²	147.9	83%	0.834	80%	0.804	S	S	*	*			cis	-154.1	155.5	-3.9	-60.5	0	0	0	0	111.3
264	L	29.8	Very low	31	Very low	139 Å²	139	145.7 Å²	145.7	73%	0.728	80%	0.804	S	S	*	*			trans	-15.4	147.5	177.1	-83.9	68.3	0	0	0	120.6
265	L	29.6	Very low	31.8	Very low	159 Å²	159	143.2 Å²	143.2	83%	0.832	80%	0.803	S	S	*	*				-155.1	-178.4	84.8	-95.6	168.6	0	0	0	116.8
266	K	31.1	Very low	32	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.796	81%	0.809	S	S	*	*			trans	-90.7	166.8	-148.8	-65.5	169.8	178.3	173	0	118
267	K	28.6	Very low	32.2	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	81%	0.808	S	S	*	*			trans	-84.7	171	167.7	-54.8	-179.3	176.2	-179	0	112.4
268	P	33.7	Very low	32.7	Very low	124 Å²	124	147.8 Å²	147.8	81%	0.805	81%	0.806	S	S	*	*				-131.9	149.8	83.4	37.2	-25.6	0	0	0	112.9
269	K	30.6	Very low	32.6	Very low	173 Å²	173	144.1 Å²	144.1	75%	0.752	80%	0.799	S	S	*	*				63.4	112.6	61.1	-95.8	-159.7	177.9	-170.7	0	115.2
270	L	30.4	Very low	32.7	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	79%	0.793	S	S	*	*			trans	-138.2	154.6	155.9	-151	78.9	0	0	0	109.2
271	I	32.6	Very low	32.8	Very low	140 Å²	140	142.7 Å²	142.7	72%	0.718	80%	0.797	S	S	*	*			trans	-142.7	144.3	-174.6	-63	171.5	0	0	0	108.8
272	R	34.1	Very low	32.8	Very low	241 Å²	241	142.3 Å²	142.3	91%	0.909	79%	0.794	S	S	*	*			trans	-146.9	142.3	160.7	-122.1	-177.1	176.5	-165.6	-2.2	111.7
273	P	36.8	Very low	32.9	Very low	113 Å²	113	144.8 Å²	144.8	73%	0.734	80%	0.798	S	S	*	*			trans	-93.7	177.9	-178.7	38.5	-35.4	0	0	0	113.1
274	P	41.2	Very low	33.1	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	80%	0.799	S	S	*	*			trans	-100.8	-154.3	-168.7	47.1	-40.1	0	0	0	111.8
275	P	45.5	Very low	33.4	Very low	116 Å²	116	149.5 Å²	149.5	75%	0.753	80%	0.802	S	S	*	*				-112.1	166.8	-128.1	33.8	-13.7	0	0	0	115.9
276	L	32.7	Very low	33.7	Very low	179 Å²	179	146.8 Å²	146.8	94%	0.937	80%	0.797	S	S	*	*			trans	-143	148.9	170.9	-80	171.3	0	0	0	112.2
277	S	35	Very low	33.9	Very low	107 Å²	107	144.2 Å²	144.2	75%	0.748	80%	0.8	S	S	*	*			trans	-147	160.1	165.9	63.4	0	0	0	0	106.4
278	P	40.3	Very low	34.3	Very low	115 Å²	115	144 Å²	144	75%	0.747	80%	0.799	S	S	*	*			cis	-118.3	-140.6	39.3	24.2	1.9	0	0	0	111.5
279	T	28.6	Very low	34.6	Very low	108 Å²	108	144.7 Å²	144.7	66%	0.663	80%	0.795	S	S	*	*			cis	-161.6	149.9	12.3	-22.5	0	0	0	0	114.2
280	T	31.1	Very low	35.7	Very low	123 Å²	123	145.5 Å²	145.5	76%	0.755	82%	0.822	S	S	*	*			trans	35	113.9	149.9	50.3	0	0	0	0	122.1
281	Q	32	Very low	36	Very low	205 Å²	205	144 Å²	144	96%	0.958	82%	0.817	S	S	*	*			trans	-173.3	152.1	130.5	-101.9	169.7	22.9	0	0	109
282	G	27.3	Very low	36.2	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	82%	0.823	S	S	*	*			cis	158.3	62.9	-9.1	0	0	0	0	0	117.4
283	C	31	Very low	36.3	Very low	125 Å²	125	138.8 Å²	138.8	85%	0.845	82%	0.818	S	S	*	*			trans	-157	130.1	164.1	-110.7	0	0	0	0	109
284	R	32.5	Very low	36.2	Very low	222 Å²	222	140.4 Å²	140.4	84%	0.838	82%	0.823	S	S	*	*			cis	72.3	96.7	44.2	-73.5	-165.6	172	-170.9	-0.7	115.4
285	N	36.2	Very low	35.9	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	83%	0.825	S	S	*	*				168.2	128.7	120.4	-77.5	-9.6	0	0	0	107.9
286	S	36.5	Very low	35.3	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	83%	0.83	S	S	*	*			cis	99.3	77.3	18.7	83.3	0	0	0	0	117
287	C	35.2	Very low	35.5	Very low	129 Å²	129	140.7 Å²	140.7	87%	0.872	82%	0.822	S	S	*	*			trans	-152.3	122.9	146.9	-86.8	0	0	0	0	105.9
288	K	38	Very low	35.5	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	83%	0.828	S	S	*	*			cis	75.6	110.2	43.6	-92.9	-163	165.3	-168.3	0	115.9
289	I	39.3	Very low	35.1	Very low	140 Å²	140	145.7 Å²	145.7	72%	0.718	84%	0.835	S	S	*	*			trans	71.6	140	141.4	-60	171	0	0	0	114.9
290	S	53.7	Low	35.7	Very low	189 Å²	189	149.1 Å²	149.1	100%	1.322	85%	0.85	S	S	*	*			cis	-103	0	6	-61.2	0	0	0	0	114

Retrieved 290 of 290 residues in 246.8 ms (Link to these results)

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