A0A077YZB4_TRITR Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A077YZB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 558 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	32.1	Very low	29.6	Very low	238 Å²	238	138.6 Å²	138.6	100%	1.172	78%	0.783	S	S	*	*				0	79.2	0	-76.5	174	-179.8	0	0	106.8
2	I	27.2	Very low	30.1	Very low	157 Å²	157	134.9 Å²	134.9	81%	0.805	76%	0.755	S	S	*	*				39.7	95.7	84.8	-46.4	178.3	0	0	0	110.9
3	L	30.2	Very low	30.3	Very low	145 Å²	145	136.1 Å²	136.1	76%	0.759	74%	0.74	S	S	*	*				174.6	112.9	122.7	-88.3	169.7	0	0	0	111.1
4	T	28.7	Very low	30.4	Very low	131 Å²	131	133 Å²	133	80%	0.804	73%	0.732	S	S	*	*			trans	67	122.8	138.3	54.3	0	0	0	0	122.2
5	A	26.3	Very low	30.2	Very low	107 Å²	107	131.9 Å²	131.9	88%	0.884	73%	0.731	S	S	*	*			trans	-51.8	142.4	171.1	0	0	0	0	0	115
6	G	27.2	Very low	30.3	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	73%	0.732	S	S	*	*			trans	-130.2	93	167.8	0	0	0	0	0	109.8
7	N	26.9	Very low	30.1	Very low	155 Å²	155	133.4 Å²	133.4	83%	0.829	73%	0.734	S	S	*	*			trans	-58.8	128.7	175.8	-149.2	5.5	0	0	0	110.7
8	R	28.3	Very low	30.1	Very low	236 Å²	236	137.8 Å²	137.8	89%	0.891	74%	0.738	S	S	*	*			trans	-141.8	103.1	165.5	-74	-167.3	-169.2	-171.3	3.9	109.2
9	N	33.2	Very low	29.8	Very low	132 Å²	132	141.2 Å²	141.2	71%	0.706	75%	0.749	S	S	*	*			trans	-142.9	162.3	168	-102.7	3.3	0	0	0	108.1
10	P	36.8	Very low	29.7	Very low	66 Å²	66	138.7 Å²	138.7	43%	0.429	75%	0.749	S	S	.	*			trans	-110.8	-175	-137.2	29.9	-12.3	0	0	0	114.2	V151	P10-V151 HydrophobicContact CG-CG2 4.43Å
11	C	28.8	Very low	29.7	Very low	82 Å²	82	136.7 Å²	136.7	55%	0.554	75%	0.752	S	S	*	*			trans	63.7	80.7	165.5	-68.7	0	0	0	0	117.2
12	E	35.3	Very low	29.3	Very low	94 Å²	94	131.2 Å²	131.2	44%	0.439	73%	0.732	S	S	.	*			trans	-115.3	52.9	-174.9	-65.4	170.3	134.9	0	0	113	R216	E12-R216 VanDerWaalsContact CB-CD 3.44Å; E12-R216 HydrophobicContact CB-CG 3.75Å; E12-R216 VanDerWaalsContact CB-NE 3.31Å; E12-R216 IonicContact OE1-CZ 2.98Å; E12-R216 VanDerWaalsContact OE1-CZ 3.22Å; E12-R216 IonicContact OE1-NE 2.61Å; E12-R216 IonicContact OE1-NH1 3.94Å; E12-R216 IonicContact OE1-NH2 2.82Å; E12-R216 PolarHBondContact OE1-NH2 3.5Å; E12-R216 IonicContact OE2-CZ 2.71Å; E12-R216 IonicContact OE2-NE 3.22Å; E12-R216 PolarHBondContact OE2-NE 3.31Å; E12-R216 IonicContact OE2-NH2 3.7Å; E12-R216 PolarHBondContact OE2-NH2 3.1Å
13	R	33.5	Very low	29.1	Very low	150 Å²	150	132.5 Å²	132.5	57%	0.566	73%	0.732	S	S	*	*	S	Bend	trans	-126.9	3.4	171.7	-131.7	175.2	-162.7	-174.1	-1.5	115.4	R216 Q217	R13-R216 WeakPolarHBondContact CD-O 3.15Å; R13-R216 PolarHBondContact NE-O 3.01Å; R13-Q217 PolarHBondContact NH2-O 2.83Å
14	C	30.8	Very low	28.8	Very low	93 Å²	93	131.4 Å²	131.4	63%	0.628	73%	0.727	S	S	*	*			trans	-117.1	5.8	-179.6	-66.9	0	0	0	0	114.8	I16	C14-I16 PolarHBondContact O-N 2.88Å
15	T	27.4	Very low	28.7	Very low	117 Å²	117	135.3 Å²	135.3	72%	0.718	73%	0.733	S	S	*	*			trans	-91.2	75	176.8	54.9	0	0	0	0	111.1
16	I	31.8	Very low	28.7	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	73%	0.73	S	S	*	*	S	Bend	trans	-128.1	108.1	155.6	-62.4	180	0	0	0	106.5	C14	C14-I16 PolarHBondContact O-N 2.88Å
17	D	27.5	Very low	28.8	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	73%	0.73	S	S	*	*			trans	56	106	159.1	-51.8	-28.3	0	0	0	118.9
18	R	29.4	Very low	29	Very low	213 Å²	213	140.1 Å²	140.1	80%	0.804	72%	0.715	S	S	*	*			trans	-170.2	88.5	140	-102.8	159.3	-165.6	-153.1	4	112.2
19	E	25.1	Very low	29	Very low	202 Å²	202	132.1 Å²	132.1	94%	0.944	70%	0.696	S	S	*	*			trans	-75.3	113.2	141	-75.5	-178.4	155.3	0	0	107.1
20	A	27.9	Very low	29.1	Very low	92 Å²	92	134.1 Å²	134.1	76%	0.76	70%	0.701	S	S	*	*			trans	149.5	142.9	150	0	0	0	0	0	111.5
21	A	28.7	Very low	28.8	Very low	97 Å²	97	134.2 Å²	134.2	80%	0.802	70%	0.703	S	S	*	*			trans	89.9	86.9	164.1	0	0	0	0	0	117
22	T	23.6	Very low	29.2	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	69%	0.694	S	S	*	*			trans	-48.2	154.5	138.3	44.8	0	0	0	0	112.8
23	F	24.5	Very low	29.8	Very low	183 Å²	183	129.7 Å²	129.7	80%	0.803	68%	0.68	S	S	*	*			trans	91.6	126.6	162.2	-83.7	-91.4	0	0	0	120.2
24	D	23.8	Very low	30.3	Very low	122 Å²	122	132.2 Å²	132.2	65%	0.652	69%	0.69	S	S	*	*			trans	85.6	127.3	147.2	-63.8	-31.9	0	0	0	122.4	Y26	D24-Y26 HydrophobicContact CB-CD2 4.29Å; D24-Y26 PolarHBondContact O-N 3.19Å
25	F	26.3	Very low	31.4	Very low	214 Å²	214	136.5 Å²	136.5	94%	0.939	70%	0.7	S	S	*	*			trans	-46.8	88.9	165.4	-107.9	-100.3	0	0	0	111.2
26	Y	26.1	Very low	33.5	Very low	207 Å²	207	133.9 Å²	133.9	81%	0.812	68%	0.677	S	S	*	*			trans	-135.1	135.9	165.7	-85.9	-84.7	0	0	0	109.9	D24	D24-Y26 HydrophobicContact CB-CD2 4.29Å; D24-Y26 PolarHBondContact O-N 3.19Å
27	L	29.9	Very low	36	Very low	152 Å²	152	130.2 Å²	130.2	80%	0.796	66%	0.659	S	S	*	*			trans	-39.6	133.2	169.4	-78.9	152.2	0	0	0	110.1	S29	L27-S29 PolarHBondContact O-N 3.41Å; L27-S29 VanDerWaalsContact O-N 3.11Å
28	P	29.6	Very low	39.1	Very low	79 Å²	79	124.2 Å²	124.2	51%	0.513	63%	0.628	S	S	.	*			trans	-56.6	124.5	-178.8	22.1	-30.4	0	0	0	109	Q30	P28-Q30 PolarHBondContact O-N 3.01Å
29	S	29.4	Very low	42.1	Very low	69 Å²	69	114.4 Å²	114.4	48%	0.483	59%	0.591	S	S	.	*			trans	-53.4	140	176	73.6	0	0	0	0	109.6	L27 S31 S32	L27-S29 PolarHBondContact O-N 3.41Å; L27-S29 VanDerWaalsContact O-N 3.11Å; S29-S31 PolarHBondContact O-N 3.4Å; S29-S31 PolarHBondContact OG-OG 3.47Å; S29-S32 PolarHBondContact O-N 2.97Å; S29-S32 PolarHBondContact O-OG 2.76Å; S29-S32 VanDerWaalsContact O-OG 3.13Å
30	Q	35.2	Very low	45.4	Very low	174 Å²	174	105 Å²	105	81%	0.813	55%	0.547	S	S	*	.	H	α-helix	trans	-50.8	-20.9	-179.2	-75.7	-176.7	-15.8	0	0	114.3	P28 L33	P28-Q30 PolarHBondContact O-N 3.01Å; Q30-L33 PolarHBondContact O-N 3.23Å
31	S	30.1	Very low	48.6	Very low	68 Å²	68	101.2 Å²	101.2	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-31.6	175.8	72.3	0	0	0	0	114.1	S29 L33	S29-S31 PolarHBondContact O-N 3.4Å; S29-S31 PolarHBondContact OG-OG 3.47Å; S31-L33 VanDerWaalsContact C-N 3.34Å
32	S	38.4	Very low	51.8	Low	53 Å²	53	96.6 Å²	96.6	37%	0.371	48%	0.477	S	S	.	.	H	α-helix	trans	-76.7	-21.9	179.6	68.2	0	0	0	0	113	S29 R34	S29-S32 PolarHBondContact O-N 2.97Å; S29-S32 PolarHBondContact O-OG 2.76Å; S29-S32 VanDerWaalsContact O-OG 3.13Å; S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.13Å
33	L	47.9	Very low	55.2	Low	28 Å²	28	91.1 Å²	91.1	15%	0.147	44%	0.443	C	S	.	.	H	α-helix	trans	-70.5	-25.9	177.1	-86.6	110.7	0	0	0	113.4	Q30 S31 H35 R36 L69 Y86	Q30-L33 PolarHBondContact O-N 3.23Å; S31-L33 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.46Å; L33-H35 VanDerWaalsContact O-N 3.16Å; L33-R36 PolarHBondContact O-N 3.46Å; L33-R36 VanDerWaalsContact O-N 3.12Å; L33-L69 HydrophobicContact CD1-CD1 4.16Å; L33-L69 HydrophobicContact CD2-CB 4.3Å; L33-L69 HydrophobicContact CD2-CD1 3.99Å; L33-Y86 HydrophobicContact CD2-CD1 4.05Å; L33-Y86 HydrophobicContact CD2-CD2 3.54Å; L33-Y86 HydrophobicContact CD2-CE1 4.5Å; L33-Y86 HydrophobicContact CD2-CE2 4.06Å; L33-Y86 HydrophobicContact CD2-CG 3.53Å
34	R	42.6	Very low	58.5	Low	203 Å²	203	83.7 Å²	83.7	77%	0.766	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.1	-173.8	-74.9	-171	-177.2	-176.8	1.6	114.5	S32	S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.13Å
35	H	54.5	Low	61.7	Low	183 Å²	183	79.7 Å²	79.7	85%	0.847	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-6	178.8	-65.5	-70.2	0	0	0	113.7	L33	L33-H35 PolarHBondContact O-N 3.46Å; L33-H35 VanDerWaalsContact O-N 3.16Å
36	R	71.9	Confident	64.6	Low	62 Å²	62	73.2 Å²	73.2	23%	0.234	36%	0.359	C	S	.	.	S	Bend	trans	-88.8	137.8	-179.8	-165.8	-176.8	-174.3	132.9	22.2	110.5	L33 Y86 D154	L33-R36 PolarHBondContact O-N 3.46Å; L33-R36 VanDerWaalsContact O-N 3.12Å; R36-Y86 HydrophobicContact CB-CE1 4.13Å; R36-Y86 HydrophobicContact CG-CE1 4.47Å; R36-Y86 WeakPolarHBondContact O-CE1 3.43Å; R36-Y86 PolarHBondContact O-OH 3.01Å; R36-D154 IonicContact CZ-OD1 2.77Å; R36-D154 IonicContact NH1-OD1 2.72Å; R36-D154 PolarHBondContact NH1-OD1 2.94Å; R36-D154 IonicContact NH2-OD1 3.77Å; R36-D154 PolarHBondContact NH2-OD1 2.88Å
37	L	84.5	Confident	67.4	Low	66 Å²	66	67.8 Å²	67.8	35%	0.346	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-62.3	127.6	169.3	-171.7	75.6	0	0	0	109.2	I159 P200	L37-I159 HydrophobicContact CD2-CD1 4.26Å; L37-I159 HydrophobicContact CD2-CG2 4.4Å; L37-P200 HydrophobicContact CD1-CG 4.34Å; L37-P200 HydrophobicContact CG-CG 4.26Å
38	P	91.2	Very high	69.9	Low	19 Å²	19	62.4 Å²	62.4	12%	0.123	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65	146.6	175	17.5	-19.6	0	0	0	111.2	V41 K84 Y86 P200	P38-V41 HydrophobicContact CG-CG2 4.28Å; P38-K84 HydrophobicContact CB-CB 3.94Å; P38-K84 HydrophobicContact CB-CG 4.32Å; P38-K84 HydrophobicContact CG-CB 4.34Å; P38-K84 HydrophobicContact CG-CD 4.47Å; P38-K84 HydrophobicContact CG-CG 4.17Å; P38-Y86 VanDerWaalsContact CA-CE1 3.42Å; P38-Y86 HydrophobicContact CB-CD1 4.45Å; P38-Y86 HydrophobicContact CB-CE1 3.88Å; P38-Y86 HydrophobicContact CB-CE2 4.38Å; P38-P200 HydrophobicContact CG-CG 4.08Å; P38-P200 WeakPolarHBondContact O-CD 3.4Å; P38-P200 WeakPolarHBondContact O-CG 3.43Å
39	D	92.7	Very high	72.5	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.037	33%	0.327	C	S	.	.	S	Bend	trans	-75.8	-36.4	178.4	-63.3	-47.4	0	0	0	110.8	V85 A87 R162 V166	D39-V85 PolarHBondContact N-O 3.3Å; D39-A87 PolarHBondContact OD2-N 3.46Å; D39-R162 WeakPolarHBondContact OD1-CB 3.47Å; D39-R162 IonicContact OD1-CZ 3.8Å; D39-R162 IonicContact OD1-NE 2.6Å; D39-R162 PolarHBondContact OD1-NE 3.15Å; D39-R162 IonicContact OD1-NH2 3.35Å; D39-R162 PolarHBondContact OD1-NH2 3.28Å; D39-R162 VanDerWaalsContact OD1-NH2 3.16Å; D39-R162 IonicContact OD2-CZ 2.71Å; D39-R162 IonicContact OD2-NE 3.35Å; D39-R162 IonicContact OD2-NH2 3.67Å; D39-R162 PolarHBondContact OD2-NH2 2.94Å; D39-V166 HydrophobicContact CB-CB 4.31Å; D39-V166 HydrophobicContact CB-CG1 4.46Å; D39-V166 HydrophobicContact CB-CG2 3.77Å
40	F	95.1	Very high	75.2	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.5	176	-98.1	-98.2	0	0	0	111.6	V85 I163 V166 H167 L170 V197 P199	F40-V85 HydrophobicContact CB-CB 4Å; F40-V85 HydrophobicContact CB-CG2 4.23Å; F40-V85 PolarHBondContact N-O 3.08Å; F40-V85 PolarHBondContact O-N 3.07Å; F40-I163 HydrophobicContact CE2-CB 4.27Å; F40-I163 HydrophobicContact CE2-CG2 3.68Å; F40-I163 WeakPolarHBondContact CE2-O 3.28Å; F40-I163 HydrophobicContact CZ-CG2 4.04Å; F40-V166 HydrophobicContact CB-CG1 4.13Å; F40-V166 HydrophobicContact CD2-CB 3.86Å; F40-V166 HydrophobicContact CD2-CG1 3.52Å; F40-V166 HydrophobicContact CE2-CB 4.28Å; F40-V166 HydrophobicContact CE2-CG1 4.29Å; F40-V166 HydrophobicContact CG-CG1 4.09Å; F40-H167 HydrophobicContact CE2-CB 3.9Å; F40-H167 HydrophobicContact CZ-CB 3.75Å; F40-H167 AromaticContact CZ-CD2 3.82Å; F40-L170 HydrophobicContact CB-CD1 4.1Å; F40-L170 HydrophobicContact CD1-CD1 3.63Å; F40-L170 HydrophobicContact CD2-CD1 4.19Å; F40-L170 HydrophobicContact CE1-CD1 4.09Å; F40-L170 HydrophobicContact CG-CD1 3.7Å; F40-V197 HydrophobicContact CD1-CG1 3.77Å; F40-V197 HydrophobicContact CE1-CG1 4.04Å; F40-P199 HydrophobicContact CE2-CB 4.37Å; F40-P199 HydrophobicContact CZ-CB 4.31Å; F40-P199 HydrophobicContact CZ-CG 4.41Å
41	V	95	Very high	77.7	Confident	13 Å²	13	60 Å²	60	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.7	171.6	-177.7	0	0	0	0	109.4	P38 V43 Y82 I83 V197 Y198 P200	P38-V41 HydrophobicContact CG-CG2 4.28Å; V41-V43 HydrophobicContact CG1-CG2 4.15Å; V41-Y82 HydrophobicContact CG1-CD1 4.06Å; V41-I83 CarbonylContact C-O 3.58Å; V41-I83 WeakPolarHBondContact CA-O 3.48Å; V41-V197 WeakPolarHBondContact O-CA 3.3Å; V41-Y198 HydrophobicContact CB-CD2 4.44Å; V41-Y198 HydrophobicContact CB-CE2 4Å; V41-Y198 HydrophobicContact CG1-CE2 4.4Å; V41-Y198 HydrophobicContact CG2-CE2 4.43Å; V41-Y198 PolarHBondContact N-O 3.3Å; V41-Y198 PolarHBondContact O-N 3.11Å; V41-Y198 VanDerWaalsContact O-N 3.08Å; V41-P200 HydrophobicContact CG2-CB 4.42Å; V41-P200 HydrophobicContact CG2-CG 4.4Å
42	L	95.2	Very high	80.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.2	172.1	-39.8	177	0	0	0	108.9	F59 L63 I83 V85 L170 Y194 V197	L42-F59 HydrophobicContact CD1-CE1 4.4Å; L42-L63 HydrophobicContact CD1-CD1 4.27Å; L42-I83 HydrophobicContact CB-CB 4.12Å; L42-I83 HydrophobicContact CB-CD1 4.48Å; L42-I83 HydrophobicContact CD1-CD1 4.49Å; L42-I83 HydrophobicContact CG-CB 4.48Å; L42-I83 PolarHBondContact N-O 2.77Å; L42-I83 PolarHBondContact O-N 2.98Å; L42-V85 HydrophobicContact CD1-CG2 4.06Å; L42-V85 HydrophobicContact CD2-CG2 4.39Å; L42-V85 HydrophobicContact CG-CG2 3.88Å; L42-L170 HydrophobicContact CD2-CD1 4.35Å; L42-L170 HydrophobicContact CD2-CD2 4.45Å; L42-Y194 HydrophobicContact CB-CD1 3.93Å; L42-Y194 HydrophobicContact CB-CE1 3.57Å; L42-Y194 HydrophobicContact CD1-CE1 4.18Å; L42-Y194 HydrophobicContact CD1-CE2 4.33Å; L42-Y194 HydrophobicContact CG-CE1 4.49Å; L42-V197 HydrophobicContact CD2-CB 4.08Å; L42-V197 HydrophobicContact CD2-CG1 3.49Å; L42-V197 VanDerWaalsContact CD2-CG1 3.49Å; L42-V197 HydrophobicContact CD2-CG2 3.62Å
43	V	94.6	Very high	83	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.8	-177.2	-172.9	0	0	0	0	109.9	V41 L80 C81 Y82 K195 A196 Y198	V41-V43 HydrophobicContact CG1-CG2 4.15Å; V43-L80 HydrophobicContact CG1-CB 4.42Å; V43-L80 HydrophobicContact CG1-CD1 4.5Å; V43-L80 HydrophobicContact CG1-CD2 4.35Å; V43-C81 WeakPolarHBondContact CA-O 2.98Å; V43-Y82 HydrophobicContact CG1-CD1 4.3Å; V43-Y82 HydrophobicContact CG1-CE1 4.02Å; V43-Y82 HydrophobicContact CG2-CD1 3.59Å; V43-Y82 HydrophobicContact CG2-CE1 3.7Å; V43-K195 PolarHBondContact O-N 3.28Å; V43-A196 HydrophobicContact CB-CB 4.24Å; V43-A196 HydrophobicContact CG2-CB 4.37Å; V43-A196 PolarHBondContact N-O 3.29Å; V43-A196 PolarHBondContact O-N 2.87Å; V43-Y198 HydrophobicContact CG2-CE1 3.86Å
44	Y	93.6	Very high	85	Confident	27 Å²	27	66.3 Å²	66.3	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.6	174.3	71	-89.1	0	0	0	111.6	R56 L80 C81 I83 A193 Y194	Y44-R56 VanDerWaalsContact CE2-NH1 3.35Å; Y44-L80 WeakPolarHBondContact O-CA 3.36Å; Y44-C81 HydrophobicContact CD1-CB 3.97Å; Y44-C81 HydrophobicContact CD2-CB 4.25Å; Y44-C81 HydrophobicContact CE1-CB 3.46Å; Y44-C81 VanDerWaalsContact CE1-CB 3.46Å; Y44-C81 WeakPolarHBondContact CE1-SG 3.23Å; Y44-C81 HydrophobicContact CE2-CB 3.78Å; Y44-C81 HydrophobicContact CG-CB 4.35Å; Y44-C81 VanDerWaalsContact CZ-SG 3.52Å; Y44-C81 PolarHBondContact N-O 2.85Å; Y44-C81 PolarHBondContact O-N 2.96Å; Y44-C81 PolarHBondContact OH-SG 3.13Å; Y44-C81 VanDerWaalsContact OH-SG 3.35Å; Y44-I83 HydrophobicContact CD1-CD1 4.04Å; Y44-I83 HydrophobicContact CD1-CG1 4.27Å; Y44-I83 HydrophobicContact CE1-CD1 3.71Å; Y44-I83 HydrophobicContact CE1-CG1 3.86Å; Y44-A193 WeakPolarHBondContact CB-O 3.45Å; Y44-Y194 HydrophobicContact CD1-CD1 4.4Å; Y44-Y194 AromaticContact CD1-CE1 3.91Å; Y44-Y194 HydrophobicContact CD1-CE1 3.91Å; Y44-Y194 HydrophobicContact CG-CE1 4.44Å
45	D	91.5	Very high	87.3	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.203	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	177	-164.8	-29.6	0	0	0	110.5	T47 Q48 K79	D45-T47 PolarHBondContact O-N 3.33Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 VanDerWaalsContact OD1-N 3.08Å; D45-T47 PolarHBondContact OD1-OG1 3.24Å; D45-Q48 HydrophobicContact CB-CG 4.2Å; D45-Q48 WeakPolarHBondContact O-CB 3.39Å; D45-Q48 WeakPolarHBondContact O-CG 3.24Å; D45-Q48 PolarHBondContact O-N 2.67Å; D45-K79 VanDerWaalsContact OD1-O 3.09Å
46	K	87.2	Confident	89.1	Confident	78 Å²	78	49.2 Å²	49.2	34%	0.339	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25	-179.3	-67.6	174.4	-177.9	165.9	0	112.4	Q48 D75 T78 K79 L80 C81	K46-Q48 PolarHBondContact O-N 3.35Å; K46-D75 PolarHBondContact NZ-O 2.88Å; K46-T78 PolarHBondContact NZ-O 3.38Å; K46-K79 WeakPolarHBondContact CB-O 3.38Å; K46-K79 WeakPolarHBondContact CG-O 3.44Å; K46-K79 PolarHBondContact N-O 3.21Å; K46-L80 VanDerWaalsContact CE-O 3.24Å; K46-L80 WeakPolarHBondContact CE-O 3.42Å; K46-C81 HydrophobicContact CG-CB 4.11Å
47	T	85	Confident	90	Very high	93 Å²	93	49.2 Å²	49.2	57%	0.571	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-4.7	-178.8	67.1	0	0	0	0	113.7	D45 S49 K79	D45-T47 PolarHBondContact O-N 3.33Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 VanDerWaalsContact OD1-N 3.08Å; D45-T47 PolarHBondContact OD1-OG1 3.24Å; T47-S49 PolarHBondContact O-N 2.95Å; T47-K79 HydrophobicContact CG2-CD 4.39Å
48	Q	83.7	Confident	90.4	Very high	39 Å²	39	49 Å²	49	18%	0.182	26%	0.262	C	S	.	.			trans	-71.5	126.2	-179.2	-68.8	179.5	-14.8	0	0	112.1	D45 K46 G192 A193	D45-Q48 HydrophobicContact CB-CG 4.2Å; D45-Q48 WeakPolarHBondContact O-CB 3.39Å; D45-Q48 WeakPolarHBondContact O-CG 3.24Å; D45-Q48 PolarHBondContact O-N 2.67Å; K46-Q48 PolarHBondContact O-N 3.35Å; Q48-G192 PolarHBondContact NE2-O 3.01Å; Q48-A193 PolarHBondContact OE1-O 2.82Å; Q48-A193 VanDerWaalsContact OE1-O 3.13Å
49	S	83.3	Confident	90.5	Very high	98 Å²	98	48 Å²	48	69%	0.685	26%	0.256	S	S	*	.			trans	-127.4	167.1	178	57.1	0	0	0	0	111.6	T47	T47-S49 PolarHBondContact O-N 2.95Å
50	G	86.6	Confident	90.5	Very high	53 Å²	53	48.5 Å²	48.5	55%	0.546	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-143.7	177.3	0	0	0	0	0	113.6	L52 K53 R54	G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.12Å; G50-K53 WeakPolarHBondContact O-CB 3.29Å; G50-K53 PolarHBondContact O-N 2.73Å; G50-K53 VanDerWaalsContact O-N 3.14Å; G50-R54 PolarHBondContact O-N 2.81Å
51	D	87	Confident	90.5	Very high	121 Å²	121	52.1 Å²	52.1	65%	0.647	28%	0.278	S	S	*	.	H	α-helix	trans	-62.7	-34.1	-171.1	-63.1	-36.9	0	0	0	113.6	K53 R54 C55	D51-K53 VanDerWaalsContact C-N 3.31Å; D51-K53 PolarHBondContact O-N 2.72Å; D51-R54 WeakPolarHBondContact O-CB 3.4Å; D51-R54 PolarHBondContact O-N 2.67Å; D51-R54 VanDerWaalsContact O-N 3.17Å; D51-C55 PolarHBondContact O-N 2.9Å; D51-C55 PolarHBondContact O-SG 3.43Å
52	L	89.3	Confident	90.4	Very high	59 Å²	59	52.5 Å²	52.5	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-41.6	176.3	-64.6	177.4	0	0	0	111.6	G50 R56 A193	G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.12Å; L52-R56 VanDerWaalsContact O-CB 3.31Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 3.16Å; L52-A193 HydrophobicContact CB-CB 4.46Å; L52-A193 HydrophobicContact CD2-CB 4.15Å
53	K	90.9	Very high	90.3	Very high	101 Å²	101	52.5 Å²	52.5	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-67.6	-39.8	176.5	179.7	172.7	-179.5	-179.8	0	111	G50 D51 R56 N57	G50-K53 WeakPolarHBondContact O-CB 3.29Å; G50-K53 PolarHBondContact O-N 2.73Å; G50-K53 VanDerWaalsContact O-N 3.14Å; D51-K53 VanDerWaalsContact C-N 3.31Å; D51-K53 PolarHBondContact O-N 2.72Å; K53-R56 PolarHBondContact O-N 3.09Å; K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 VanDerWaalsContact O-CG 3.23Å; K53-N57 PolarHBondContact O-N 3.2Å; K53-N57 PolarHBondContact O-OD1 3.14Å
54	R	90.6	Very high	90.3	Very high	122 Å²	122	56.3 Å²	56.3	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-48.5	175.9	-177.7	179.5	172.6	-136.4	-9.2	111.3	G50 D51 Y58 D178	G50-R54 PolarHBondContact O-N 2.81Å; D51-R54 WeakPolarHBondContact O-CB 3.4Å; D51-R54 PolarHBondContact O-N 2.67Å; D51-R54 VanDerWaalsContact O-N 3.17Å; R54-Y58 WeakPolarHBondContact O-CB 3.37Å; R54-Y58 PolarHBondContact O-N 2.71Å; R54-D178 IonicContact CZ-OD1 2.98Å; R54-D178 IonicContact CZ-OD2 3.16Å; R54-D178 IonicContact NH1-OD1 2.92Å; R54-D178 IonicContact NH1-OD2 2.96Å; R54-D178 PolarHBondContact NH1-OD2 2.94Å; R54-D178 IonicContact NH2-OD1 3.8Å; R54-D178 PolarHBondContact NH2-OD1 3.27Å; R54-D178 IonicContact NH2-OD2 3.51Å; R54-D178 PolarHBondContact NH2-OD2 3.28Å
55	C	89.5	Confident	90.3	Very high	17 Å²	17	63.2 Å²	63.2	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-42.4	177.8	-62.8	0	0	0	0	111.8	D51 Y58 F59 W187 L188	D51-C55 PolarHBondContact O-N 2.9Å; D51-C55 PolarHBondContact O-SG 3.43Å; C55-Y58 PolarHBondContact O-N 3.09Å; C55-F59 WeakPolarHBondContact O-CB 3.47Å; C55-F59 PolarHBondContact O-N 2.82Å; C55-W187 HydrophobicContact CB-CZ3 4.32Å; C55-L188 HydrophobicContact CB-CD2 4.28Å
56	R	91.8	Very high	90.3	Very high	10 Å²	10	66.4 Å²	66.4	4%	0.038	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-50.3	177.8	-170	-170.5	62.2	-130.3	2.5	111.8	Y44 L52 K53 Y58 F59 E60 Y194	Y44-R56 VanDerWaalsContact CE2-NH1 3.35Å; L52-R56 VanDerWaalsContact O-CB 3.31Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 3.16Å; K53-R56 PolarHBondContact O-N 3.09Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 PolarHBondContact O-N 2.82Å; R56-F59 WeakPolarHBondContact O-CB 3.48Å; R56-F59 PolarHBondContact O-N 3.43Å; R56-F59 VanDerWaalsContact O-N 3.16Å; R56-E60 WeakPolarHBondContact CD-OE1 3.5Å; R56-E60 VanDerWaalsContact CG-OE1 3.24Å; R56-E60 WeakPolarHBondContact CG-OE1 3.45Å; R56-E60 IonicContact NE-OE1 3.7Å; R56-E60 PolarHBondContact NE-OE1 3.45Å; R56-E60 WeakPolarHBondContact O-CG 3.25Å; R56-E60 PolarHBondContact O-N 2.91Å; R56-Y194 HydrophobicContact CG-CE1 4.2Å; R56-Y194 HydrophobicContact CG-CE2 4.03Å
57	N	92.4	Very high	90.6	Very high	62 Å²	62	64.2 Å²	64.2	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-41.2	178	-70.5	7.7	0	0	0	111.3	K53 F59 E60 D61	K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 VanDerWaalsContact O-CG 3.23Å; K53-N57 PolarHBondContact O-N 3.2Å; K53-N57 PolarHBondContact O-OD1 3.14Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.19Å; N57-E60 PolarHBondContact O-N 2.85Å; N57-D61 WeakPolarHBondContact O-CB 3.34Å; N57-D61 VanDerWaalsContact O-CG 3.31Å; N57-D61 PolarHBondContact O-N 3.36Å
58	Y	92.4	Very high	91	Very high	60 Å²	60	59.9 Å²	59.9	24%	0.235	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-40.2	175.9	-178.1	-101	0	0	0	112.5	R54 C55 R56 N62 R174 P177	R54-Y58 WeakPolarHBondContact O-CB 3.37Å; R54-Y58 PolarHBondContact O-N 2.71Å; C55-Y58 PolarHBondContact O-N 3.09Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 PolarHBondContact O-N 2.82Å; Y58-N62 WeakPolarHBondContact CD1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.46Å; Y58-N62 WeakPolarHBondContact O-CB 3.32Å; Y58-N62 VanDerWaalsContact O-CG 3.25Å; Y58-N62 PolarHBondContact O-N 3.38Å; Y58-N62 VanDerWaalsContact O-N 3.07Å; Y58-N62 PolarHBondContact O-ND2 2.61Å; Y58-R174 HydrophobicContact CE1-CB 4.2Å; Y58-P177 HydrophobicContact CD2-CB 4.06Å; Y58-P177 HydrophobicContact CE1-CB 4.47Å; Y58-P177 HydrophobicContact CE2-CB 4.03Å; Y58-P177 HydrophobicContact CG-CB 4.3Å
59	F	93	Very high	91.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-48.4	174.3	-178.5	-108.7	0	0	0	111.8	L42 C55 R56 N57 D61 N62 L63 L170 A173 C175 M185 L188 Y194	L42-F59 HydrophobicContact CD1-CE1 4.4Å; C55-F59 WeakPolarHBondContact O-CB 3.47Å; C55-F59 PolarHBondContact O-N 2.82Å; R56-F59 WeakPolarHBondContact O-CB 3.48Å; R56-F59 PolarHBondContact O-N 3.43Å; R56-F59 VanDerWaalsContact O-N 3.16Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.19Å; F59-D61 PolarHBondContact O-N 3.23Å; F59-N62 WeakPolarHBondContact O-CB 3.44Å; F59-N62 PolarHBondContact O-N 3.22Å; F59-N62 VanDerWaalsContact O-N 3.12Å; F59-L63 HydrophobicContact CD1-CD1 3.95Å; F59-L63 HydrophobicContact CD1-CG 4.26Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CD2 4.27Å; F59-L63 HydrophobicContact CE1-CG 4.06Å; F59-L63 HydrophobicContact CE2-CD2 4.27Å; F59-L63 HydrophobicContact CZ-CD1 4.11Å; F59-L63 HydrophobicContact CZ-CD2 3.98Å; F59-L63 HydrophobicContact CZ-CG 4.25Å; F59-L63 WeakPolarHBondContact O-CG 3.24Å; F59-L63 PolarHBondContact O-N 2.92Å; F59-L170 HydrophobicContact CE1-CD2 4.2Å; F59-L170 HydrophobicContact CZ-CD2 3.94Å; F59-A173 HydrophobicContact CD2-CB 4.09Å; F59-A173 HydrophobicContact CE2-CB 3.53Å; F59-A173 HydrophobicContact CZ-CB 4.31Å; F59-C175 HydrophobicContact CD2-CB 4.23Å; F59-C175 WeakPolarHBondContact CD2-SG 3.35Å; F59-C175 WeakPolarHBondContact CE2-SG 3.32Å; F59-M185 HydrophobicContact CZ-CB 4.48Å; F59-L188 HydrophobicContact CB-CD1 3.77Å; F59-L188 HydrophobicContact CD1-CD1 3.54Å; F59-L188 HydrophobicContact CD2-CD1 3.74Å; F59-L188 HydrophobicContact CE1-CD1 3.93Å; F59-L188 HydrophobicContact CE2-CD1 4.09Å; F59-L188 HydrophobicContact CG-CD1 3.41Å; F59-L188 VanDerWaalsContact CG-CD1 3.41Å; F59-L188 HydrophobicContact CZ-CD1 4.19Å; F59-Y194 AromaticContact CD1-CE2 3.84Å; F59-Y194 HydrophobicContact CD1-CE2 3.84Å; F59-Y194 HydrophobicContact CE1-CE2 4.09Å
60	E	93.9	Very high	92	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-46.2	177.1	-70.1	171.3	-158.6	0	0	111.6	R56 N57 N62 L63 I64 L70 F72 I83 Y194	R56-E60 WeakPolarHBondContact CD-OE1 3.5Å; R56-E60 VanDerWaalsContact CG-OE1 3.24Å; R56-E60 WeakPolarHBondContact CG-OE1 3.45Å; R56-E60 IonicContact NE-OE1 3.7Å; R56-E60 PolarHBondContact NE-OE1 3.45Å; R56-E60 WeakPolarHBondContact O-CG 3.25Å; R56-E60 PolarHBondContact O-N 2.91Å; N57-E60 PolarHBondContact O-N 2.85Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 2.82Å; E60-L63 WeakPolarHBondContact O-CB 3.37Å; E60-L63 PolarHBondContact O-N 2.6Å; E60-L63 VanDerWaalsContact O-N 3.17Å; E60-I64 WeakPolarHBondContact O-CG1 3.49Å; E60-I64 PolarHBondContact O-N 3.16Å; E60-L70 HydrophobicContact CB-CD1 4.03Å; E60-L70 HydrophobicContact CG-CD1 4.3Å; E60-F72 WeakPolarHBondContact OE2-CE1 3.5Å; E60-I83 HydrophobicContact CG-CD1 4.26Å; E60-I83 WeakPolarHBondContact OE1-CD1 3.49Å; E60-Y194 WeakPolarHBondContact CG-OH 3.45Å; E60-Y194 PolarHBondContact OE1-OH 3.3Å
61	D	93.9	Very high	92.3	Very high	80 Å²	80	57.8 Å²	57.8	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-41.3	175	-75.5	-17.5	0	0	0	111.8	N57 F59 I64 R65	N57-D61 WeakPolarHBondContact O-CB 3.34Å; N57-D61 VanDerWaalsContact O-CG 3.31Å; N57-D61 PolarHBondContact O-N 3.36Å; F59-D61 PolarHBondContact O-N 3.23Å; D61-I64 PolarHBondContact O-N 2.82Å; D61-R65 VanDerWaalsContact O-CG 3.27Å; D61-R65 WeakPolarHBondContact O-CG 3.27Å; D61-R65 PolarHBondContact O-N 3.08Å
62	N	92.7	Very high	92.5	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-36.9	177	-74	-25.1	0	0	0	112.3	Y58 F59 E60 I64 R65 E66 R174	Y58-N62 WeakPolarHBondContact CD1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.46Å; Y58-N62 WeakPolarHBondContact O-CB 3.32Å; Y58-N62 VanDerWaalsContact O-CG 3.25Å; Y58-N62 PolarHBondContact O-N 3.38Å; Y58-N62 VanDerWaalsContact O-N 3.07Å; Y58-N62 PolarHBondContact O-ND2 2.61Å; F59-N62 WeakPolarHBondContact O-CB 3.44Å; F59-N62 PolarHBondContact O-N 3.22Å; F59-N62 VanDerWaalsContact O-N 3.12Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 2.82Å; N62-I64 VanDerWaalsContact C-N 3.33Å; N62-R65 PolarHBondContact O-N 3.33Å; N62-R65 PolarHBondContact OD1-NH1 2.89Å; N62-E66 WeakPolarHBondContact O-CG 3.48Å; N62-E66 PolarHBondContact O-N 2.82Å; N62-R174 PolarHBondContact ND2-O 3.27Å
63	L	94.1	Very high	92.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-42.2	173.9	-65	-176.6	0	0	0	111.3	L42 F59 E60 E66 G67 L68 L70 L170 A173	L42-L63 HydrophobicContact CD1-CD1 4.27Å; F59-L63 HydrophobicContact CD1-CD1 3.95Å; F59-L63 HydrophobicContact CD1-CG 4.26Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CD2 4.27Å; F59-L63 HydrophobicContact CE1-CG 4.06Å; F59-L63 HydrophobicContact CE2-CD2 4.27Å; F59-L63 HydrophobicContact CZ-CD1 4.11Å; F59-L63 HydrophobicContact CZ-CD2 3.98Å; F59-L63 HydrophobicContact CZ-CG 4.25Å; F59-L63 WeakPolarHBondContact O-CG 3.24Å; F59-L63 PolarHBondContact O-N 2.92Å; E60-L63 WeakPolarHBondContact O-CB 3.37Å; E60-L63 PolarHBondContact O-N 2.6Å; E60-L63 VanDerWaalsContact O-N 3.17Å; L63-E66 PolarHBondContact O-N 3.35Å; L63-G67 PolarHBondContact O-N 3.44Å; L63-L68 HydrophobicContact CB-CB 4.39Å; L63-L68 HydrophobicContact CB-CD1 4.05Å; L63-L68 HydrophobicContact CD2-CD1 3.81Å; L63-L68 HydrophobicContact CG-CD1 4.35Å; L63-L68 WeakPolarHBondContact O-CB 3.33Å; L63-L68 PolarHBondContact O-N 3.31Å; L63-L70 HydrophobicContact CB-CD1 4.39Å; L63-L70 HydrophobicContact CD1-CD2 4.31Å; L63-L170 HydrophobicContact CD1-CD2 3.78Å; L63-L170 HydrophobicContact CD2-CD2 3.84Å; L63-L170 HydrophobicContact CG-CD2 4.49Å; L63-A173 HydrophobicContact CD2-CB 3.69Å
64	I	94.8	Very high	92	Very high	87 Å²	87	55.6 Å²	55.6	45%	0.446	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-42	175.6	-64.8	167.8	0	0	0	110.6	E60 D61 N62 E66 G67 L70	E60-I64 WeakPolarHBondContact O-CG1 3.49Å; E60-I64 PolarHBondContact O-N 3.16Å; D61-I64 PolarHBondContact O-N 2.82Å; N62-I64 VanDerWaalsContact C-N 3.33Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 3.44Å; I64-G67 WeakPolarHBondContact O-CA 3.41Å; I64-G67 PolarHBondContact O-N 3.17Å; I64-L70 HydrophobicContact CD1-CD1 4.11Å; I64-L70 HydrophobicContact CG1-CD1 3.87Å; I64-L70 HydrophobicContact CG1-CG 4.11Å
65	R	93.4	Very high	91.5	Very high	172 Å²	172	53.5 Å²	53.5	65%	0.649	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-35.2	175.4	-73	173.2	-167.2	152.4	3.6	113.3	D61 N62 G67	D61-R65 VanDerWaalsContact O-CG 3.27Å; D61-R65 WeakPolarHBondContact O-CG 3.27Å; D61-R65 PolarHBondContact O-N 3.08Å; N62-R65 PolarHBondContact O-N 3.33Å; N62-R65 PolarHBondContact OD1-NH1 2.89Å; R65-G67 PolarHBondContact O-N 3.38Å
66	E	90.7	Very high	90.9	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-70.2	-13.1	172.1	-71.5	-69	148.7	0	0	112.3	N62 L63 I64 L91	N62-E66 WeakPolarHBondContact O-CG 3.48Å; N62-E66 PolarHBondContact O-N 2.82Å; L63-E66 PolarHBondContact O-N 3.35Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 3.44Å; E66-L91 VanDerWaalsContact O-CD1 3.26Å; E66-L91 WeakPolarHBondContact O-CD1 3.5Å
67	G	93	Very high	90.2	Very high	31 Å²	31	66 Å²	66	32%	0.32	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	12.9	174.3	0	0	0	0	0	114.9	L63 I64 R65 P88	L63-G67 PolarHBondContact O-N 3.44Å; I64-G67 WeakPolarHBondContact O-CA 3.41Å; I64-G67 PolarHBondContact O-N 3.17Å; R65-G67 PolarHBondContact O-N 3.38Å; G67-P88 VanDerWaalsContact O-CD 3.23Å; G67-P88 WeakPolarHBondContact O-CD 3.13Å; G67-P88 WeakPolarHBondContact O-CG 3.41Å
68	L	94.3	Very high	89.7	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	34%	0.337	C	S	.	.			trans	-77.1	144.7	173.1	-67.6	166.8	0	0	0	110.5	L63 V85 A87 L91 V166 L169	L63-L68 HydrophobicContact CB-CB 4.39Å; L63-L68 HydrophobicContact CB-CD1 4.05Å; L63-L68 HydrophobicContact CD2-CD1 3.81Å; L63-L68 HydrophobicContact CG-CD1 4.35Å; L63-L68 WeakPolarHBondContact O-CB 3.33Å; L63-L68 PolarHBondContact O-N 3.31Å; L68-V85 HydrophobicContact CB-CG1 4.36Å; L68-V85 HydrophobicContact CD1-CG1 4.17Å; L68-V85 HydrophobicContact CD2-CG1 4.12Å; L68-V85 HydrophobicContact CG-CG1 4.46Å; L68-A87 HydrophobicContact CD2-CB 3.81Å; L68-L91 HydrophobicContact CD2-CD2 3.71Å; L68-L91 HydrophobicContact CG-CD2 3.93Å; L68-V166 HydrophobicContact CD2-CG2 4.41Å; L68-L169 HydrophobicContact CD1-CB 4.47Å; L68-L169 HydrophobicContact CD1-CD1 4.44Å; L68-L169 HydrophobicContact CD2-CD1 4.12Å; L68-L169 HydrophobicContact CG-CD1 4.42Å
69	L	94.3	Very high	89.5	Confident	61 Å²	61	69.6 Å²	69.6	32%	0.319	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.5	174.1	-56.3	174.6	0	0	0	108.7	L33 Y86 P88	L33-L69 HydrophobicContact CD1-CD1 4.16Å; L33-L69 HydrophobicContact CD2-CB 4.3Å; L33-L69 HydrophobicContact CD2-CD1 3.99Å; L69-Y86 PolarHBondContact N-O 3.3Å; L69-Y86 PolarHBondContact O-N 3.02Å; L69-P88 HydrophobicContact CD1-CG 3.95Å; L69-P88 HydrophobicContact CG-CG 3.92Å
70	L	93.9	Very high	89.5	Confident	28 Å²	28	71.3 Å²	71.3	15%	0.147	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.2	179.6	-55.4	-177.5	0	0	0	109	E60 L63 I64 F72 I83 K84 V85	E60-L70 HydrophobicContact CB-CD1 4.03Å; E60-L70 HydrophobicContact CG-CD1 4.3Å; L63-L70 HydrophobicContact CB-CD1 4.39Å; L63-L70 HydrophobicContact CD1-CD2 4.31Å; I64-L70 HydrophobicContact CD1-CD1 4.11Å; I64-L70 HydrophobicContact CG1-CD1 3.87Å; I64-L70 HydrophobicContact CG1-CG 4.11Å; L70-F72 HydrophobicContact CB-CE2 3.95Å; L70-F72 HydrophobicContact CB-CZ 4.19Å; L70-F72 HydrophobicContact CD1-CZ 4.37Å; L70-I83 HydrophobicContact CB-CG2 4.03Å; L70-I83 HydrophobicContact CD2-CG2 4.14Å; L70-I83 HydrophobicContact CG-CG2 4.48Å; L70-K84 WeakPolarHBondContact CA-O 3.27Å; L70-V85 HydrophobicContact CD2-CB 4.26Å; L70-V85 HydrophobicContact CD2-CG1 4.07Å; L70-V85 HydrophobicContact CD2-CG2 3.82Å
71	D	93	Very high	89.4	Confident	58 Å²	58	70.5 Å²	70.5	31%	0.31	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	171.5	179.1	36.4	0	0	0	109.2	I83 K84 Y86	D71-I83 WeakPolarHBondContact O-CA 3.28Å; D71-K84 HydrophobicContact CB-CB 4.2Å; D71-K84 PolarHBondContact N-O 2.92Å; D71-K84 PolarHBondContact O-N 3.39Å; D71-Y86 HydrophobicContact CB-CE2 3.99Å
72	F	91.7	Very high	89.4	Confident	86 Å²	86	70.4 Å²	70.4	38%	0.377	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.6	-172.8	-64.8	-94.3	0	0	0	109.4	E60 L70 I83	E60-F72 WeakPolarHBondContact OE2-CE1 3.5Å; L70-F72 HydrophobicContact CB-CE2 3.95Å; L70-F72 HydrophobicContact CB-CZ 4.19Å; L70-F72 HydrophobicContact CD1-CZ 4.37Å; F72-I83 HydrophobicContact CD1-CD1 4.18Å; F72-I83 HydrophobicContact CD1-CG1 3.83Å; F72-I83 HydrophobicContact CD1-CG2 4.41Å; F72-I83 HydrophobicContact CE1-CD1 3.74Å; F72-I83 HydrophobicContact CE1-CG1 3.9Å; F72-I83 HydrophobicContact CE1-CG2 4.27Å
73	D	87.2	Confident	89.4	Confident	69 Å²	69	69.4 Å²	69.4	37%	0.369	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.1	177	-161.6	-12.7	0	0	0	109.2	Y82 K84	D73-Y82 PolarHBondContact N-O 2.71Å; D73-Y82 PolarHBondContact O-N 2.85Å; D73-K84 VanDerWaalsContact OD2-CE 3.29Å; D73-K84 WeakPolarHBondContact OD2-CE 3.46Å; D73-K84 IonicContact OD2-NZ 2.73Å; D73-K84 PolarHBondContact OD2-NZ 3.16Å
74	T	81.6	Confident	89.5	Confident	80 Å²	80	71.9 Å²	71.9	49%	0.491	36%	0.361	S	S	.	.			trans	-114.6	97	-178.5	45.3	0	0	0	0	109.8	E76 C81	T74-E76 PolarHBondContact O-N 2.86Å; T74-C81 HydrophobicContact CG2-CB 4.15Å; T74-C81 WeakPolarHBondContact CG2-SG 3.42Å
75	D	79.9	Confident	89.5	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	34%	0.34	S	S	.	.			trans	-73.9	118.6	169.1	-178.3	-6.7	0	0	0	109.1	K46 S77 T78	K46-D75 PolarHBondContact NZ-O 2.88Å; D75-S77 PolarHBondContact O-N 3.36Å; D75-S77 WeakPolarHBondContact OD1-CB 3.42Å; D75-S77 PolarHBondContact OD1-N 3.22Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-OG 3.45Å; D75-T78 PolarHBondContact O-N 2.88Å
76	E	77.2	Confident	89.5	Confident	193 Å²	193	60 Å²	60	90%	0.902	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.3	-179.4	-65.7	-168.5	163.2	0	0	112.9	T74 T78	T74-E76 PolarHBondContact O-N 2.86Å; E76-T78 VanDerWaalsContact C-N 3.29Å; E76-T78 PolarHBondContact O-N 2.95Å
77	S	77.3	Confident	89.6	Confident	97 Å²	97	55 Å²	55	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.1	-177.4	71.8	0	0	0	0	113.4	D75	D75-S77 PolarHBondContact O-N 3.36Å; D75-S77 WeakPolarHBondContact OD1-CB 3.42Å; D75-S77 PolarHBondContact OD1-N 3.22Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-OG 3.45Å
78	T	82.5	Confident	89.7	Confident	48 Å²	48	55.4 Å²	55.4	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-111.9	144.4	-176.7	73.8	0	0	0	0	111.9	K46 D75 E76 L80	K46-T78 PolarHBondContact NZ-O 3.38Å; D75-T78 PolarHBondContact O-N 2.88Å; E76-T78 VanDerWaalsContact C-N 3.29Å; E76-T78 PolarHBondContact O-N 2.95Å; T78-L80 PolarHBondContact O-N 2.85Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-L80 PolarHBondContact OG1-O 2.86Å
79	K	87.9	Confident	89.5	Confident	148 Å²	148	56.2 Å²	56.2	64%	0.643	29%	0.288	S	S	*	.	S	Bend	trans	-68.4	-4.3	170.6	-62.6	-174.9	-180	-177.5	0	112.7	D45 K46 T47	D45-K79 VanDerWaalsContact OD1-O 3.09Å; K46-K79 WeakPolarHBondContact CB-O 3.38Å; K46-K79 WeakPolarHBondContact CG-O 3.44Å; K46-K79 PolarHBondContact N-O 3.21Å; T47-K79 HydrophobicContact CG2-CD 4.39Å
80	L	91.3	Very high	89.4	Confident	36 Å²	36	56.1 Å²	56.1	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.6	-175.6	-61.1	176.2	0	0	0	110.7	V43 Y44 K46 T78 Y82 K195	V43-L80 HydrophobicContact CG1-CB 4.42Å; V43-L80 HydrophobicContact CG1-CD1 4.5Å; V43-L80 HydrophobicContact CG1-CD2 4.35Å; Y44-L80 WeakPolarHBondContact O-CA 3.36Å; K46-L80 VanDerWaalsContact CE-O 3.24Å; K46-L80 WeakPolarHBondContact CE-O 3.42Å; T78-L80 PolarHBondContact O-N 2.85Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-L80 PolarHBondContact OG1-O 2.86Å; L80-Y82 HydrophobicContact CB-CE2 4.02Å; L80-K195 HydrophobicContact CD2-CD 4.15Å
81	C	92.2	Very high	89.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.2	168	-177.6	0	0	0	0	108.8	V43 Y44 K46 T74	V43-C81 WeakPolarHBondContact CA-O 2.98Å; Y44-C81 HydrophobicContact CD1-CB 3.97Å; Y44-C81 HydrophobicContact CD2-CB 4.25Å; Y44-C81 HydrophobicContact CE1-CB 3.46Å; Y44-C81 VanDerWaalsContact CE1-CB 3.46Å; Y44-C81 WeakPolarHBondContact CE1-SG 3.23Å; Y44-C81 HydrophobicContact CE2-CB 3.78Å; Y44-C81 HydrophobicContact CG-CB 4.35Å; Y44-C81 VanDerWaalsContact CZ-SG 3.52Å; Y44-C81 PolarHBondContact N-O 2.85Å; Y44-C81 PolarHBondContact O-N 2.96Å; Y44-C81 PolarHBondContact OH-SG 3.13Å; Y44-C81 VanDerWaalsContact OH-SG 3.35Å; K46-C81 HydrophobicContact CG-CB 4.11Å; T74-C81 HydrophobicContact CG2-CB 4.15Å; T74-C81 WeakPolarHBondContact CG2-SG 3.42Å
82	Y	93.5	Very high	89.3	Confident	78 Å²	78	52.7 Å²	52.7	31%	0.306	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.9	177.3	-65.1	-90.6	0	0	0	109.1	V41 V43 D73 L80	V41-Y82 HydrophobicContact CG1-CD1 4.06Å; V43-Y82 HydrophobicContact CG1-CD1 4.3Å; V43-Y82 HydrophobicContact CG1-CE1 4.02Å; V43-Y82 HydrophobicContact CG2-CD1 3.59Å; V43-Y82 HydrophobicContact CG2-CE1 3.7Å; D73-Y82 PolarHBondContact N-O 2.71Å; D73-Y82 PolarHBondContact O-N 2.85Å; L80-Y82 HydrophobicContact CB-CE2 4.02Å
83	I	94.4	Very high	89.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	174.2	-50.2	176.8	0	0	0	107.8	V41 L42 Y44 E60 L70 D71 F72 Y194	V41-I83 CarbonylContact C-O 3.58Å; V41-I83 WeakPolarHBondContact CA-O 3.48Å; L42-I83 HydrophobicContact CB-CB 4.12Å; L42-I83 HydrophobicContact CB-CD1 4.48Å; L42-I83 HydrophobicContact CD1-CD1 4.49Å; L42-I83 HydrophobicContact CG-CB 4.48Å; L42-I83 PolarHBondContact N-O 2.77Å; L42-I83 PolarHBondContact O-N 2.98Å; Y44-I83 HydrophobicContact CD1-CD1 4.04Å; Y44-I83 HydrophobicContact CD1-CG1 4.27Å; Y44-I83 HydrophobicContact CE1-CD1 3.71Å; Y44-I83 HydrophobicContact CE1-CG1 3.86Å; E60-I83 HydrophobicContact CG-CD1 4.26Å; E60-I83 WeakPolarHBondContact OE1-CD1 3.49Å; L70-I83 HydrophobicContact CB-CG2 4.03Å; L70-I83 HydrophobicContact CD2-CG2 4.14Å; L70-I83 HydrophobicContact CG-CG2 4.48Å; D71-I83 WeakPolarHBondContact O-CA 3.28Å; F72-I83 HydrophobicContact CD1-CD1 4.18Å; F72-I83 HydrophobicContact CD1-CG1 3.83Å; F72-I83 HydrophobicContact CD1-CG2 4.41Å; F72-I83 HydrophobicContact CE1-CD1 3.74Å; F72-I83 HydrophobicContact CE1-CG1 3.9Å; F72-I83 HydrophobicContact CE1-CG2 4.27Å; I83-Y194 HydrophobicContact CD1-CE1 4.07Å; I83-Y194 WeakPolarHBondContact CD1-OH 3.43Å
84	K	94.8	Very high	89.7	Confident	52 Å²	52	53.9 Å²	53.9	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.2	173.8	-64.4	171.4	-167.5	159.1	0	108.5	P38 L70 D71 D73 Y86	P38-K84 HydrophobicContact CB-CB 3.94Å; P38-K84 HydrophobicContact CB-CG 4.32Å; P38-K84 HydrophobicContact CG-CB 4.34Å; P38-K84 HydrophobicContact CG-CD 4.47Å; P38-K84 HydrophobicContact CG-CG 4.17Å; L70-K84 WeakPolarHBondContact CA-O 3.27Å; D71-K84 HydrophobicContact CB-CB 4.2Å; D71-K84 PolarHBondContact N-O 2.92Å; D71-K84 PolarHBondContact O-N 3.39Å; D73-K84 VanDerWaalsContact OD2-CE 3.29Å; D73-K84 WeakPolarHBondContact OD2-CE 3.46Å; D73-K84 IonicContact OD2-NZ 2.73Å; D73-K84 PolarHBondContact OD2-NZ 3.16Å; K84-Y86 HydrophobicContact CB-CD2 4.43Å; K84-Y86 HydrophobicContact CB-CE2 3.58Å
85	V	94.8	Very high	90.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	-178	-174.7	0	0	0	0	109.2	D39 F40 L42 L68 L70 V166	D39-V85 PolarHBondContact N-O 3.3Å; F40-V85 HydrophobicContact CB-CB 4Å; F40-V85 HydrophobicContact CB-CG2 4.23Å; F40-V85 PolarHBondContact N-O 3.08Å; F40-V85 PolarHBondContact O-N 3.07Å; L42-V85 HydrophobicContact CD1-CG2 4.06Å; L42-V85 HydrophobicContact CD2-CG2 4.39Å; L42-V85 HydrophobicContact CG-CG2 3.88Å; L68-V85 HydrophobicContact CB-CG1 4.36Å; L68-V85 HydrophobicContact CD1-CG1 4.17Å; L68-V85 HydrophobicContact CD2-CG1 4.12Å; L68-V85 HydrophobicContact CG-CG1 4.46Å; L70-V85 HydrophobicContact CD2-CB 4.26Å; L70-V85 HydrophobicContact CD2-CG1 4.07Å; L70-V85 HydrophobicContact CD2-CG2 3.82Å; V85-V166 HydrophobicContact CG1-CG1 4.05Å
86	Y	94.3	Very high	90.7	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.9	177.7	-58.1	-91.4	0	0	0	110.5	L33 R36 P38 L69 D71 K84	L33-Y86 HydrophobicContact CD2-CD1 4.05Å; L33-Y86 HydrophobicContact CD2-CD2 3.54Å; L33-Y86 HydrophobicContact CD2-CE1 4.5Å; L33-Y86 HydrophobicContact CD2-CE2 4.06Å; L33-Y86 HydrophobicContact CD2-CG 3.53Å; R36-Y86 HydrophobicContact CB-CE1 4.13Å; R36-Y86 HydrophobicContact CG-CE1 4.47Å; R36-Y86 WeakPolarHBondContact O-CE1 3.43Å; R36-Y86 PolarHBondContact O-OH 3.01Å; P38-Y86 VanDerWaalsContact CA-CE1 3.42Å; P38-Y86 HydrophobicContact CB-CD1 4.45Å; P38-Y86 HydrophobicContact CB-CE1 3.88Å; P38-Y86 HydrophobicContact CB-CE2 4.38Å; L69-Y86 PolarHBondContact N-O 3.3Å; L69-Y86 PolarHBondContact O-N 3.02Å; D71-Y86 HydrophobicContact CB-CE2 3.99Å; K84-Y86 HydrophobicContact CB-CD2 4.43Å; K84-Y86 HydrophobicContact CB-CE2 3.58Å
87	A	93.4	Very high	91.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.213	C	C	.	.			trans	-100.6	120.2	172.6	0	0	0	0	0	111.1	D39 L68 L92 R162 V166	D39-A87 PolarHBondContact OD2-N 3.46Å; L68-A87 HydrophobicContact CD2-CB 3.81Å; A87-L92 HydrophobicContact CB-CD1 4.22Å; A87-L92 HydrophobicContact CB-CD2 3.59Å; A87-L92 HydrophobicContact CB-CG 3.75Å; A87-R162 PolarHBondContact O-NH2 3.33Å; A87-V166 HydrophobicContact CB-CG2 3.65Å
88	P	93.5	Very high	91.9	Very high	40 Å²	40	46.9 Å²	46.9	26%	0.26	21%	0.214	S	C	.	.			trans	-60.8	152.2	170.9	-22.5	33.5	0	0	0	111.9	G67 L69 A90 L91 L92	G67-P88 VanDerWaalsContact O-CD 3.23Å; G67-P88 WeakPolarHBondContact O-CD 3.13Å; G67-P88 WeakPolarHBondContact O-CG 3.41Å; L69-P88 HydrophobicContact CD1-CG 3.95Å; L69-P88 HydrophobicContact CG-CG 3.92Å; P88-A90 VanDerWaalsContact C-N 3.33Å; P88-A90 PolarHBondContact O-N 2.8Å; P88-L91 WeakPolarHBondContact O-CB 3.24Å; P88-L91 PolarHBondContact O-N 3.15Å; P88-L91 VanDerWaalsContact O-N 3.08Å; P88-L92 PolarHBondContact O-N 3.07Å; P88-L92 VanDerWaalsContact O-N 3.07Å
89	F	91.1	Very high	92	Very high	18 Å²	18	46 Å²	46	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-55.8	-44.3	-178.1	-176.4	-111.8	0	0	0	112.9	L91 L92 C93 L145 E153 F156 F157	F89-L91 VanDerWaalsContact C-N 3.31Å; F89-L91 PolarHBondContact O-N 2.91Å; F89-L92 WeakPolarHBondContact O-CB 3.43Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.14Å; F89-C93 VanDerWaalsContact CE1-SG 3.57Å; F89-C93 WeakPolarHBondContact CZ-SG 3.46Å; F89-C93 PolarHBondContact O-N 3.3Å; F89-C93 PolarHBondContact O-SG 3.43Å; F89-L145 HydrophobicContact CZ-CD2 4.29Å; F89-E153 HydrophobicContact CB-CB 4.12Å; F89-E153 HydrophobicContact CB-CG 4.45Å; F89-E153 WeakPolarHBondContact CB-OE2 3.14Å; F89-E153 HydrophobicContact CD1-CB 4.15Å; F89-E153 HydrophobicContact CD1-CG 3.77Å; F89-E153 HydrophobicContact CD2-CB 3.95Å; F89-E153 HydrophobicContact CD2-CG 4.44Å; F89-E153 WeakPolarHBondContact CD2-O 3.4Å; F89-E153 HydrophobicContact CE1-CG 4.09Å; F89-E153 HydrophobicContact CE2-CB 4.42Å; F89-E153 HydrophobicContact CG-CB 3.81Å; F89-E153 HydrophobicContact CG-CG 3.97Å; F89-F156 HydrophobicContact CE2-CB 3.84Å; F89-F156 AromaticContact CE2-CD1 3.76Å; F89-F156 HydrophobicContact CE2-CD1 3.76Å; F89-F156 AromaticContact CE2-CG 3.99Å; F89-F156 HydrophobicContact CE2-CG 3.99Å; F89-F156 HydrophobicContact CZ-CB 4.46Å; F89-F156 HydrophobicContact CZ-CD1 4.16Å; F89-F156 HydrophobicContact CZ-CG 4.32Å; F89-F157 HydrophobicContact CD2-CD2 4.32Å; F89-F157 HydrophobicContact CD2-CE2 4.24Å; F89-F157 HydrophobicContact CE2-CD2 4.13Å; F89-F157 AromaticContact CE2-CE2 3.89Å; F89-F157 HydrophobicContact CE2-CE2 3.89Å
90	A	91.4	Very high	91.9	Very high	59 Å²	59	45.3 Å²	45.3	49%	0.488	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-38.5	177.7	0	0	0	0	0	113.4	P88 R94	P88-A90 VanDerWaalsContact C-N 3.33Å; P88-A90 PolarHBondContact O-N 2.8Å; A90-R94 WeakPolarHBondContact O-CB 3.41Å; A90-R94 PolarHBondContact O-N 2.9Å; A90-R94 VanDerWaalsContact O-N 3.12Å
91	L	92.7	Very high	91.6	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-68.3	-43.8	176.5	178.9	60.3	0	0	0	110.8	E66 L68 P88 F89 R94 R95 L169	E66-L91 VanDerWaalsContact O-CD1 3.26Å; E66-L91 WeakPolarHBondContact O-CD1 3.5Å; L68-L91 HydrophobicContact CD2-CD2 3.71Å; L68-L91 HydrophobicContact CG-CD2 3.93Å; P88-L91 WeakPolarHBondContact O-CB 3.24Å; P88-L91 PolarHBondContact O-N 3.15Å; P88-L91 VanDerWaalsContact O-N 3.08Å; F89-L91 VanDerWaalsContact C-N 3.31Å; F89-L91 PolarHBondContact O-N 2.91Å; L91-R94 PolarHBondContact O-N 3.1Å; L91-R95 WeakPolarHBondContact O-CB 3.35Å; L91-R95 PolarHBondContact O-N 3.02Å; L91-L169 HydrophobicContact CD2-CD1 3.97Å; L91-L169 HydrophobicContact CG-CD1 4.24Å
92	L	93.4	Very high	91.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-47.2	177	-68.1	168.7	0	0	0	111.5	A87 P88 F89 R94 R95 A96 F157 R162 I165	A87-L92 HydrophobicContact CB-CD1 4.22Å; A87-L92 HydrophobicContact CB-CD2 3.59Å; A87-L92 HydrophobicContact CB-CG 3.75Å; P88-L92 PolarHBondContact O-N 3.07Å; P88-L92 VanDerWaalsContact O-N 3.07Å; F89-L92 WeakPolarHBondContact O-CB 3.43Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.14Å; L92-R94 PolarHBondContact O-N 3.25Å; L92-R95 PolarHBondContact O-N 3.22Å; L92-A96 WeakPolarHBondContact O-CB 3.31Å; L92-A96 PolarHBondContact O-N 2.92Å; L92-F157 HydrophobicContact CB-CD2 3.87Å; L92-F157 HydrophobicContact CB-CE2 3.62Å; L92-F157 HydrophobicContact CB-CZ 4.36Å; L92-F157 HydrophobicContact CD1-CD2 4.12Å; L92-R162 HydrophobicContact CD1-CG 4.28Å; L92-R162 VanDerWaalsContact CD1-CZ 3.45Å; L92-I165 HydrophobicContact CB-CD1 4.41Å; L92-I165 HydrophobicContact CD2-CB 3.93Å; L92-I165 HydrophobicContact CD2-CD1 3.85Å; L92-I165 HydrophobicContact CD2-CG2 3.66Å
93	C	93	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-49.3	176.9	-70.8	0	0	0	0	112.2	F89 R95 A96 Q97 F140 H142	F89-C93 VanDerWaalsContact CE1-SG 3.57Å; F89-C93 WeakPolarHBondContact CZ-SG 3.46Å; F89-C93 PolarHBondContact O-N 3.3Å; F89-C93 PolarHBondContact O-SG 3.43Å; C93-R95 VanDerWaalsContact C-N 3.27Å; C93-R95 PolarHBondContact O-N 3.14Å; C93-A96 PolarHBondContact O-N 3.17Å; C93-Q97 WeakPolarHBondContact O-CB 3.5Å; C93-Q97 PolarHBondContact O-N 2.95Å; C93-F140 HydrophobicContact CB-CE1 3.69Å; C93-F140 HydrophobicContact CB-CZ 3.94Å; C93-F140 WeakPolarHBondContact O-CE1 3.42Å; C93-H142 HydrophobicContact CB-CB 4.49Å; C93-H142 VanDerWaalsContact CB-ND1 3.31Å; C93-H142 WeakPolarHBondContact CB-ND1 3.43Å
94	R	92.9	Very high	90.4	Very high	179 Å²	179	45.6 Å²	45.6	68%	0.675	21%	0.213	S	C	*	.	H	α-helix	trans	-57.7	-42.7	178.8	-174.1	-174.5	-62	169.8	0.7	111.3	A90 L91 L92 R98	A90-R94 WeakPolarHBondContact O-CB 3.41Å; A90-R94 PolarHBondContact O-N 2.9Å; A90-R94 VanDerWaalsContact O-N 3.12Å; L91-R94 PolarHBondContact O-N 3.1Å; L92-R94 PolarHBondContact O-N 3.25Å; R94-R98 PolarHBondContact O-N 3.32Å
95	R	92.1	Very high	90	Very high	23 Å²	23	45.2 Å²	45.2	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-76.3	-40.1	-178	-161.9	67.5	-173.9	176.3	11.3	112.6	L91 L92 C93 Q97 R98 L99 I165 D168 L169	L91-R95 WeakPolarHBondContact O-CB 3.35Å; L91-R95 PolarHBondContact O-N 3.02Å; L92-R95 PolarHBondContact O-N 3.22Å; C93-R95 VanDerWaalsContact C-N 3.27Å; C93-R95 PolarHBondContact O-N 3.14Å; R95-Q97 VanDerWaalsContact C-N 3.27Å; R95-Q97 PolarHBondContact O-N 3.41Å; R95-R98 PolarHBondContact O-N 2.94Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R95-L99 HydrophobicContact CG-CD1 4.13Å; R95-L99 WeakPolarHBondContact O-CB 3.23Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.77Å; R95-I165 HydrophobicContact CB-CG2 3.63Å; R95-I165 HydrophobicContact CG-CG2 3.66Å; R95-D168 IonicContact CZ-OD2 2.94Å; R95-D168 IonicContact NE-OD2 3.5Å; R95-D168 PolarHBondContact NE-OD2 3.13Å; R95-D168 IonicContact NH2-OD1 3.91Å; R95-D168 IonicContact NH2-OD2 2.73Å; R95-D168 PolarHBondContact NH2-OD2 3.31Å; R95-L169 HydrophobicContact CG-CD2 4.32Å; R95-L169 HydrophobicContact CG-CG 4.34Å
96	A	90.5	Very high	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-39.6	174.4	0	0	0	0	0	111.7	L92 C93 L99 Q100 M101 F140 F157 I165	L92-A96 WeakPolarHBondContact O-CB 3.31Å; L92-A96 PolarHBondContact O-N 2.92Å; C93-A96 PolarHBondContact O-N 3.17Å; A96-L99 CarbonylContact O-C 3.56Å; A96-L99 PolarHBondContact O-N 3.39Å; A96-Q100 PolarHBondContact O-N 3.25Å; A96-Q100 VanDerWaalsContact O-N 3.07Å; A96-M101 HydrophobicContact CB-CB 4.33Å; A96-M101 HydrophobicContact CB-CG 4.44Å; A96-M101 HydrophobicContact CB-SD 4.01Å; A96-M101 PolarHBondContact O-N 3.26Å; A96-F140 HydrophobicContact CB-CD1 3.77Å; A96-F140 HydrophobicContact CB-CE1 4.38Å; A96-F140 HydrophobicContact CB-CG 4.35Å; A96-F157 HydrophobicContact CB-CE1 3.74Å; A96-F157 HydrophobicContact CB-CZ 3.76Å; A96-I165 HydrophobicContact CB-CD1 4.05Å
97	Q	91.4	Very high	87.9	Confident	89 Å²	89	52.4 Å²	52.4	42%	0.416	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-43.4	175.5	-179.1	172.8	-27.5	0	0	111.8	C93 R95 L99 Q100 F140	C93-Q97 WeakPolarHBondContact O-CB 3.5Å; C93-Q97 PolarHBondContact O-N 2.95Å; R95-Q97 VanDerWaalsContact C-N 3.27Å; R95-Q97 PolarHBondContact O-N 3.41Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 2.96Å; Q97-Q100 PolarHBondContact O-N 2.89Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; Q97-F140 HydrophobicContact CB-CD1 4.12Å
98	R	88.1	Confident	86	Confident	189 Å²	189	56.8 Å²	56.8	71%	0.713	29%	0.291	S	S	*	.	H	α-helix	trans	-65.8	-34.4	177.2	-171.6	174.3	-176.2	163.9	2	112.7	R94 R95 Q100	R94-R98 PolarHBondContact O-N 3.32Å; R95-R98 PolarHBondContact O-N 2.94Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R98-Q100 PolarHBondContact O-N 3.44Å
99	L	85.3	Confident	83.9	Confident	29 Å²	29	61.6 Å²	61.6	15%	0.152	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.4	174.8	-68.7	174.9	0	0	0	112.9	R95 A96 Q97 M101 I165 D168	R95-L99 HydrophobicContact CG-CD1 4.13Å; R95-L99 WeakPolarHBondContact O-CB 3.23Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.77Å; A96-L99 CarbonylContact O-C 3.56Å; A96-L99 PolarHBondContact O-N 3.39Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 2.96Å; L99-M101 HydrophobicContact CB-CG 3.83Å; L99-M101 HydrophobicContact CB-SD 4.45Å; L99-M101 HydrophobicContact CD1-SD 4.32Å; L99-M101 PolarHBondContact O-N 2.94Å; L99-M101 VanDerWaalsContact O-N 3.15Å; L99-I165 HydrophobicContact CD1-CG1 4.4Å; L99-D168 HydrophobicContact CD1-CB 4.27Å
100	Q	86.1	Confident	81.9	Confident	135 Å²	135	70.6 Å²	70.6	63%	0.631	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	40.9	-175.4	-63	-173.7	-47.2	0	0	112.7	A96 Q97 R98 K102 P139	A96-Q100 PolarHBondContact O-N 3.25Å; A96-Q100 VanDerWaalsContact O-N 3.07Å; Q97-Q100 PolarHBondContact O-N 2.89Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; R98-Q100 PolarHBondContact O-N 3.44Å; Q100-K102 PolarHBondContact O-N 3.02Å; Q100-P139 HydrophobicContact CB-CB 4.5Å
101	M	85.4	Confident	79.6	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.059	36%	0.363	C	S	.	.			trans	-63.3	126.5	-177.8	-69	-176.7	69.8	0	0	110.1	A96 L99 F140 Q161 I165	A96-M101 HydrophobicContact CB-CB 4.33Å; A96-M101 HydrophobicContact CB-CG 4.44Å; A96-M101 HydrophobicContact CB-SD 4.01Å; A96-M101 PolarHBondContact O-N 3.26Å; L99-M101 HydrophobicContact CB-CG 3.83Å; L99-M101 HydrophobicContact CB-SD 4.45Å; L99-M101 HydrophobicContact CD1-SD 4.32Å; L99-M101 PolarHBondContact O-N 2.94Å; L99-M101 VanDerWaalsContact O-N 3.15Å; M101-F140 VanDerWaalsContact O-CB 3.26Å; M101-F140 WeakPolarHBondContact O-CB 3.46Å; M101-F140 PolarHBondContact O-N 3.06Å; M101-Q161 HydrophobicContact CE-CB 3.83Å; M101-Q161 HydrophobicContact CE-CG 3.82Å; M101-I165 HydrophobicContact CE-CD1 4.3Å; M101-I165 HydrophobicContact CE-CG1 4.23Å; M101-I165 HydrophobicContact SD-CD1 3.68Å; M101-I165 HydrophobicContact SD-CG1 3.46Å; M101-I165 WeakPolarHBondContact SD-CG1 3.06Å
102	K	85.8	Confident	77.2	Confident	65 Å²	65	77 Å²	77	28%	0.283	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.2	176.6	-67.1	-178.8	177.9	-177.1	0	110.1	Q100 A138 N367 D370	Q100-K102 PolarHBondContact O-N 3.02Å; K102-A138 WeakPolarHBondContact CA-O 3.47Å; K102-N367 HydrophobicContact CB-CB 4.15Å; K102-N367 HydrophobicContact CD-CB 4.03Å; K102-D370 IonicContact NZ-OD2 2.89Å; K102-D370 PolarHBondContact NZ-OD2 3.31Å
103	L	86.4	Confident	74.9	Confident	3 Å²	3	80.3 Å²	80.3	2%	0.016	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152	177	-66.9	-175.7	0	0	0	110.6	T137 A138 F140 Y148 F156 F157	L103-T137 VanDerWaalsContact O-CA 3.23Å; L103-T137 WeakPolarHBondContact O-CA 3.36Å; L103-T137 WeakPolarHBondContact O-CB 3.43Å; L103-A138 PolarHBondContact N-O 3.36Å; L103-A138 PolarHBondContact O-N 2.76Å; L103-F140 HydrophobicContact CD1-CB 4.07Å; L103-F140 HydrophobicContact CD1-CD2 3.4Å; L103-F140 HydrophobicContact CD1-CE2 4.05Å; L103-F140 HydrophobicContact CD1-CG 3.89Å; L103-F140 HydrophobicContact CG-CB 4.28Å; L103-F140 HydrophobicContact CG-CD2 4.37Å; L103-Y148 HydrophobicContact CB-CD1 3.75Å; L103-Y148 HydrophobicContact CB-CE1 3.81Å; L103-F156 HydrophobicContact CD1-CD1 4.37Å; L103-F156 HydrophobicContact CD1-CE1 3.34Å; L103-F156 HydrophobicContact CD1-CZ 3.54Å; L103-F157 HydrophobicContact CD1-CD1 4.34Å; L103-F157 HydrophobicContact CD1-CE1 3.74Å; L103-F157 HydrophobicContact CD1-CZ 4.4Å; L103-F157 HydrophobicContact CD2-CD1 4.44Å; L103-F157 HydrophobicContact CD2-CE1 4.43Å
104	P	83.3	Confident	72.5	Confident	40 Å²	40	83.8 Å²	83.8	26%	0.26	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.9	-179.9	29.1	-34.8	0	0	0	111.9	Q135 T137 Y148	P104-Q135 HydrophobicContact CB-CB 3.75Å; P104-Q135 HydrophobicContact CB-CG 4.3Å; P104-T137 HydrophobicContact CB-CG2 4.42Å; P104-Y148 WeakPolarHBondContact O-CD1 3.47Å
105	L	84.4	Confident	70.5	Confident	43 Å²	43	78.4 Å²	78.4	23%	0.225	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-79.9	145.8	173.3	-62.1	175.8	0	0	0	110	T107 V136 A138 L147 Y148	L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.36Å; L105-V136 HydrophobicContact CD1-CG1 4.34Å; L105-V136 PolarHBondContact N-O 3.18Å; L105-A138 HydrophobicContact CD1-CB 3.91Å; L105-A138 HydrophobicContact CD2-CB 4.11Å; L105-A138 HydrophobicContact CG-CB 4.13Å; L105-L147 CarbonylContact C-O 3.56Å; L105-L147 VanDerWaalsContact CA-O 3.32Å; L105-L147 WeakPolarHBondContact CA-O 3.49Å; L105-L147 HydrophobicContact CD2-CB 3.95Å; L105-Y148 HydrophobicContact CD2-CD1 3.95Å; L105-Y148 HydrophobicContact CD2-CE1 3.69Å
106	D	77.7	Confident	68.4	Low	88 Å²	88	86.2 Å²	86.2	47%	0.471	46%	0.464	S	S	.	.			trans	-77.1	87.1	170.8	-157.6	-19.3	0	0	0	109	A108 L147 H149	D106-A108 PolarHBondContact O-N 3.16Å; D106-A108 VanDerWaalsContact O-N 3.09Å; D106-L147 PolarHBondContact N-O 3.17Å; D106-H149 IonicContact OD2-ND1 3.41Å; D106-H149 PolarHBondContact OD2-ND1 3.49Å
107	T	68.1	Low	66.9	Low	72 Å²	72	94.9 Å²	94.9	44%	0.442	50%	0.497	S	S	.	.			trans	-77.2	96.4	172.7	55.5	0	0	0	0	108.2	L105 N109 V136	L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.36Å; T107-N109 CarbonylContact O-C 3.54Å; T107-N109 PolarHBondContact O-N 2.89Å; T107-V136 HydrophobicContact CG2-CB 4.17Å; T107-V136 HydrophobicContact CG2-CG2 4.2Å
108	A	53.3	Low	65.5	Low	94 Å²	94	95.2 Å²	95.2	78%	0.777	50%	0.499	S	S	*	.	S	Bend	trans	-55.7	-10	-177.8	0	0	0	0	0	115.5	D106 K110	D106-A108 PolarHBondContact O-N 3.16Å; D106-A108 VanDerWaalsContact O-N 3.09Å; A108-K110 PolarHBondContact O-N 3.4Å
109	N	49.2	Very low	64.4	Low	141 Å²	141	91.2 Å²	91.2	75%	0.754	50%	0.498	S	S	*	.	S	Bend	trans	-87.7	101.8	163.5	-82.6	-18.7	0	0	0	109	T107 S111	T107-N109 CarbonylContact O-C 3.54Å; T107-N109 PolarHBondContact O-N 2.89Å; N109-S111 PolarHBondContact O-N 2.93Å
110	K	50.1	Low	63.8	Low	206 Å²	206	98.2 Å²	98.2	90%	0.896	52%	0.523	S	S	*	.			trans	-49.8	81	152.6	-67.6	175.1	-180	175.3	0	107.7	A108 S112	A108-K110 PolarHBondContact O-N 3.4Å; K110-S112 PolarHBondContact O-N 3.07Å
111	S	43.5	Very low	63.3	Low	99 Å²	99	92.9 Å²	92.9	69%	0.692	50%	0.498	S	S	*	.			trans	-52.9	117.4	153.6	49.3	0	0	0	0	102.8	N109 S113	N109-S111 PolarHBondContact O-N 2.93Å; S111-S113 PolarHBondContact O-N 3.25Å
112	S	41.4	Very low	62.9	Low	111 Å²	111	95.9 Å²	95.9	78%	0.776	52%	0.517	S	S	*	.			trans	-47.2	97.3	176.1	33	0	0	0	0	106.5	K110 S114	K110-S112 PolarHBondContact O-N 3.07Å; S112-S114 PolarHBondContact O-N 3.36Å
113	S	45.3	Very low	62.5	Low	69 Å²	69	98.6 Å²	98.6	48%	0.483	54%	0.535	S	S	.	.			trans	-63.4	92.9	163.4	172	0	0	0	0	101.9	S111 S115	S111-S113 PolarHBondContact O-N 3.25Å; S113-S115 PolarHBondContact O-N 3.24Å
114	S	43	Very low	62.2	Low	72 Å²	72	100.8 Å²	100.8	50%	0.503	55%	0.546	S	S	.	.			trans	-50.9	103.1	152	35.2	0	0	0	0	102.7	S112 Y116	S112-S114 PolarHBondContact O-N 3.36Å; S114-Y116 WeakPolarHBondContact O-CD2 3.48Å; S114-Y116 PolarHBondContact O-N 3.06Å; S114-Y116 VanDerWaalsContact OG-CE2 3.28Å; S114-Y116 WeakPolarHBondContact OG-CE2 3.43Å
115	S	50.1	Low	61.9	Low	67 Å²	67	99 Å²	99	47%	0.469	53%	0.534	S	S	.	.			trans	-60	95.8	170.7	-173.8	0	0	0	0	103.4	S113 R117 D131	S113-S115 PolarHBondContact O-N 3.24Å; S115-R117 PolarHBondContact O-N 3.28Å; S115-D131 WeakPolarHBondContact CB-OD2 3.44Å; S115-D131 PolarHBondContact OG-OD2 3.14Å
116	Y	49.1	Very low	61.5	Low	187 Å²	187	98.9 Å²	98.9	73%	0.733	53%	0.533	S	S	*	.			trans	-69.8	90.3	-179.7	-95.2	-85.4	0	0	0	104.8	S114 M118	S114-Y116 WeakPolarHBondContact O-CD2 3.48Å; S114-Y116 PolarHBondContact O-N 3.06Å; S114-Y116 VanDerWaalsContact OG-CE2 3.28Å; S114-Y116 WeakPolarHBondContact OG-CE2 3.43Å; Y116-M118 PolarHBondContact O-N 3.37Å
117	R	57.3	Low	61.4	Low	181 Å²	181	100.8 Å²	100.8	68%	0.683	54%	0.537	S	S	*	.			trans	-59.8	113	171.3	-77	-161.1	-95.8	-172.2	-7.9	107.3	S115 P119 Q126	S115-R117 PolarHBondContact O-N 3.28Å; R117-P119 WeakPolarHBondContact O-CD 3.39Å; R117-Q126 VanDerWaalsContact CG-OE1 3.27Å
118	M	62.2	Low	61.6	Low	96 Å²	96	97.4 Å²	97.4	47%	0.473	52%	0.516	S	S	.	.			trans	-69.5	111	171.5	-68	-82.3	173.4	0	0	106.8	Y116 W120 L121 Q126	Y116-M118 PolarHBondContact O-N 3.37Å; M118-W120 PolarHBondContact O-N 2.98Å; M118-L121 HydrophobicContact CB-CB 4.16Å; M118-L121 HydrophobicContact CB-CD1 3.71Å; M118-L121 HydrophobicContact CB-CG 3.85Å; M118-L121 HydrophobicContact CG-CD1 3.98Å; M118-L121 PolarHBondContact O-N 3.34Å; M118-Q126 PolarHBondContact O-NE2 2.85Å; M118-Q126 VanDerWaalsContact O-NE2 3.09Å
119	P	65.1	Low	62.7	Low	105 Å²	105	94.3 Å²	94.3	68%	0.682	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.2	-171.7	-24.8	34.6	0	0	0	114.2	R117	R117-P119 WeakPolarHBondContact O-CD 3.39Å
120	W	74.1	Confident	63.5	Low	177 Å²	177	89.2 Å²	89.2	67%	0.67	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.7	-175.9	6.9	80.7	0	0	0	114.1	M118	M118-W120 PolarHBondContact O-N 2.98Å
121	L	73.9	Confident	64.1	Low	23 Å²	23	83.7 Å²	83.7	12%	0.12	45%	0.447	C	S	.	.	S	Bend	trans	-103	136.5	176.8	-67.6	-179.7	0	0	0	110	M118 E125 Q126 I129 P237	M118-L121 HydrophobicContact CB-CB 4.16Å; M118-L121 HydrophobicContact CB-CD1 3.71Å; M118-L121 HydrophobicContact CB-CG 3.85Å; M118-L121 HydrophobicContact CG-CD1 3.98Å; M118-L121 PolarHBondContact O-N 3.34Å; L121-E125 HydrophobicContact CB-CB 4.22Å; L121-E125 HydrophobicContact CD2-CB 4.22Å; L121-Q126 HydrophobicContact CB-CG 3.59Å; L121-Q126 HydrophobicContact CD1-CG 4.25Å; L121-Q126 PolarHBondContact O-NE2 2.85Å; L121-I129 HydrophobicContact CD1-CD1 3.7Å; L121-I129 HydrophobicContact CD2-CD1 4.37Å; L121-P237 HydrophobicContact CD2-CG 4.09Å; L121-P237 HydrophobicContact CG-CG 4.39Å
122	T	78.6	Confident	65.1	Low	75 Å²	75	83.2 Å²	83.2	46%	0.46	43%	0.434	S	S	.	.			trans	-62.3	153.5	169	59.9	0	0	0	0	110.4	L124 E125 Q126	T122-L124 PolarHBondContact O-N 2.89Å; T122-L124 VanDerWaalsContact O-N 3.17Å; T122-E125 WeakPolarHBondContact CB-OE2 3.39Å; T122-E125 PolarHBondContact N-OE2 2.81Å; T122-E125 WeakPolarHBondContact O-CB 3.41Å; T122-E125 PolarHBondContact O-N 2.99Å; T122-E125 WeakPolarHBondContact OG1-CB 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.25Å; T122-E125 PolarHBondContact OG1-N 3.32Å; T122-E125 PolarHBondContact OG1-OE2 3.12Å; T122-Q126 WeakPolarHBondContact O-CG 3.49Å; T122-Q126 PolarHBondContact O-N 2.91Å
123	D	76.4	Confident	66.1	Low	121 Å²	121	81 Å²	81	65%	0.647	42%	0.417	S	S	*	.	H	α-helix	trans	-55.8	-36.1	178.2	-70.6	-29	0	0	0	112	Q126 K127	D123-Q126 PolarHBondContact O-N 2.9Å; D123-K127 WeakPolarHBondContact O-CB 3.37Å; D123-K127 PolarHBondContact O-N 2.9Å
124	L	79.3	Confident	67	Low	49 Å²	49	82.2 Å²	82.2	26%	0.257	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-46.8	173.6	177.3	63.3	0	0	0	111.7	T122 K127 L128 P212 Y226	T122-L124 PolarHBondContact O-N 2.89Å; T122-L124 VanDerWaalsContact O-N 3.17Å; L124-K127 PolarHBondContact O-N 3.08Å; L124-L128 HydrophobicContact CD1-CD1 4.15Å; L124-L128 HydrophobicContact CD1-CG 4.28Å; L124-L128 HydrophobicContact CG-CD1 4.02Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 2.91Å; L124-P212 HydrophobicContact CD1-CB 3.71Å; L124-P212 WeakPolarHBondContact CD1-O 3.33Å; L124-P212 HydrophobicContact CD2-CB 3.65Å; L124-P212 HydrophobicContact CG-CB 4.27Å; L124-Y226 HydrophobicContact CD2-CE1 4.48Å
125	E	78	Confident	68.3	Low	2 Å²	2	83.8 Å²	83.8	1%	0.009	42%	0.42	C	S	.	.	H	α-helix	trans	-66.6	-40.8	178.6	-72.6	164.7	143.5	0	0	112.1	L121 T122 K127 L128 I129 Y226 T227 K236	L121-E125 HydrophobicContact CB-CB 4.22Å; L121-E125 HydrophobicContact CD2-CB 4.22Å; T122-E125 WeakPolarHBondContact CB-OE2 3.39Å; T122-E125 PolarHBondContact N-OE2 2.81Å; T122-E125 WeakPolarHBondContact O-CB 3.41Å; T122-E125 PolarHBondContact O-N 2.99Å; T122-E125 WeakPolarHBondContact OG1-CB 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.25Å; T122-E125 PolarHBondContact OG1-N 3.32Å; T122-E125 PolarHBondContact OG1-OE2 3.12Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 2.91Å; E125-L128 PolarHBondContact O-N 3.3Å; E125-I129 WeakPolarHBondContact O-CB 3.41Å; E125-I129 WeakPolarHBondContact O-CD1 3.18Å; E125-I129 VanDerWaalsContact O-CG1 3.28Å; E125-I129 WeakPolarHBondContact O-CG1 3.29Å; E125-I129 PolarHBondContact O-N 3.2Å; E125-Y226 HydrophobicContact CG-CE1 4.23Å; E125-T227 HydrophobicContact CG-CG2 4.37Å; E125-K236 WeakPolarHBondContact OE1-CE 3.49Å; E125-K236 IonicContact OE1-NZ 3.39Å; E125-K236 PolarHBondContact OE1-NZ 2.9Å
126	Q	76.7	Confident	69.7	Low	42 Å²	42	84.4 Å²	84.4	20%	0.196	42%	0.422	C	S	.	.	H	α-helix	trans	-60.4	-43.6	174.7	-65	-178.6	32.5	0	0	110.7	R117 M118 L121 T122 D123 G130	R117-Q126 VanDerWaalsContact CG-OE1 3.27Å; M118-Q126 PolarHBondContact O-NE2 2.85Å; M118-Q126 VanDerWaalsContact O-NE2 3.09Å; L121-Q126 HydrophobicContact CB-CG 3.59Å; L121-Q126 HydrophobicContact CD1-CG 4.25Å; L121-Q126 PolarHBondContact O-NE2 2.85Å; T122-Q126 WeakPolarHBondContact O-CG 3.49Å; T122-Q126 PolarHBondContact O-N 2.91Å; D123-Q126 PolarHBondContact O-N 2.9Å; Q126-G130 PolarHBondContact O-N 3.39Å
127	K	74.6	Confident	71.4	Confident	127 Å²	127	77 Å²	77	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-64.1	-38.6	175.3	-168.7	-175.9	-177.3	-169.8	0	112.5	D123 L124 E125 S213	D123-K127 WeakPolarHBondContact O-CB 3.37Å; D123-K127 PolarHBondContact O-N 2.9Å; L124-K127 PolarHBondContact O-N 3.08Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 2.91Å; K127-S213 PolarHBondContact NZ-O 2.86Å
128	L	73.4	Confident	72.7	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-72.1	-41.5	179.6	-74.7	171.2	0	0	0	112.6	L124 E125 R215 W218 V223 Y226	L124-L128 HydrophobicContact CD1-CD1 4.15Å; L124-L128 HydrophobicContact CD1-CG 4.28Å; L124-L128 HydrophobicContact CG-CD1 4.02Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 2.91Å; E125-L128 PolarHBondContact O-N 3.3Å; L128-R215 VanDerWaalsContact O-CZ 3.26Å; L128-R215 PolarHBondContact O-NE 3.48Å; L128-R215 PolarHBondContact O-NH2 3.39Å; L128-W218 HydrophobicContact CD2-CD2 4.03Å; L128-W218 HydrophobicContact CD2-CE3 4.34Å; L128-W218 HydrophobicContact CD2-CG 4.2Å; L128-V223 HydrophobicContact CB-CG1 4.12Å; L128-V223 HydrophobicContact CB-CG2 4.4Å; L128-V223 HydrophobicContact CD2-CG2 4.07Å; L128-Y226 HydrophobicContact CD1-CD1 3.79Å; L128-Y226 HydrophobicContact CD1-CE1 3.87Å
129	I	74.8	Confident	73.9	Confident	29 Å²	29	68 Å²	68	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-71	-42.1	179.3	-67.8	163	0	0	0	110	L121 E125 T227 P239	L121-I129 HydrophobicContact CD1-CD1 3.7Å; L121-I129 HydrophobicContact CD2-CD1 4.37Å; E125-I129 WeakPolarHBondContact O-CB 3.41Å; E125-I129 WeakPolarHBondContact O-CD1 3.18Å; E125-I129 VanDerWaalsContact O-CG1 3.28Å; E125-I129 WeakPolarHBondContact O-CG1 3.29Å; E125-I129 PolarHBondContact O-N 3.2Å; I129-T227 HydrophobicContact CD1-CG2 4.4Å; I129-T227 HydrophobicContact CG1-CG2 4.23Å; I129-P239 HydrophobicContact CD1-CB 4.25Å; I129-P239 HydrophobicContact CG1-CB 4.31Å; I129-P239 HydrophobicContact CG2-CB 4.39Å
130	G	66.8	Low	75.1	Confident	33 Å²	33	63.1 Å²	63.1	34%	0.34	34%	0.338	S	S	.	.			trans	76.3	158.9	-176.1	0	0	0	0	0	112.9	Q126	Q126-G130 PolarHBondContact O-N 3.39Å
131	D	61.6	Low	75.8	Confident	91 Å²	91	57.3 Å²	57.3	49%	0.487	32%	0.322	S	S	.	.			trans	-79.8	125	174.2	-80.6	-32.7	0	0	0	109.6	S115 P133	S115-D131 WeakPolarHBondContact CB-OD2 3.44Å; S115-D131 PolarHBondContact OG-OD2 3.14Å; D131-P133 VanDerWaalsContact C-CD 3.49Å; D131-P133 WeakPolarHBondContact O-CD 3.41Å
132	H	64.7	Low	76.5	Confident	88 Å²	88	60 Å²	60	41%	0.407	33%	0.334	S	S	.	.			trans	-107.6	83.4	171	-68.6	-62.9	0	0	0	108.7	N241	H132-N241 HydrophobicContact CB-CB 4.21Å
133	P	62.4	Low	77	Confident	66 Å²	66	61.1 Å²	61.1	43%	0.429	35%	0.345	S	S	.	.			trans	-62.5	148	177.2	27.5	-34	0	0	0	109.8	D131 Q135	D131-P133 VanDerWaalsContact C-CD 3.49Å; D131-P133 WeakPolarHBondContact O-CD 3.41Å; P133-Q135 HydrophobicContact CG-CG 4.48Å; P133-Q135 PolarHBondContact O-N 2.96Å
134	V	64.9	Low	77.5	Confident	94 Å²	94	60.9 Å²	60.9	57%	0.57	34%	0.335	S	S	*	.			trans	-66.5	109.7	171.4	179.5	0	0	0	0	107.2	K365	V134-K365 HydrophobicContact CG2-CD 4.32Å; V134-K365 HydrophobicContact CG2-CG 4.2Å
135	Q	71	Confident	77.8	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	33%	0.334	S	S	.	.			trans	-95.2	139.5	178.4	-70	174.1	-21	0	0	109.7	P104 P133 T137	P104-Q135 HydrophobicContact CB-CB 3.75Å; P104-Q135 HydrophobicContact CB-CG 4.3Å; P133-Q135 HydrophobicContact CG-CG 4.48Å; P133-Q135 PolarHBondContact O-N 2.96Å; Q135-T137 PolarHBondContact O-N 3.37Å
136	V	79.7	Confident	78.1	Confident	81 Å²	81	66 Å²	66	49%	0.491	36%	0.362	S	S	.	.			trans	-70.4	128.2	170.8	-178.3	0	0	0	0	107.5	L105 T107	L105-V136 HydrophobicContact CD1-CG1 4.34Å; L105-V136 PolarHBondContact N-O 3.18Å; T107-V136 HydrophobicContact CG2-CB 4.17Å; T107-V136 HydrophobicContact CG2-CG2 4.2Å
137	T	83.8	Confident	78.5	Confident	31 Å²	31	67.1 Å²	67.1	19%	0.19	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.1	-179.5	72.7	0	0	0	0	111.6	L103 P104 Q135 N367	L103-T137 VanDerWaalsContact O-CA 3.23Å; L103-T137 WeakPolarHBondContact O-CA 3.36Å; L103-T137 WeakPolarHBondContact O-CB 3.43Å; P104-T137 HydrophobicContact CB-CG2 4.42Å; Q135-T137 PolarHBondContact O-N 3.37Å; T137-N367 WeakPolarHBondContact CG2-ND2 3.41Å; T137-N367 WeakPolarHBondContact CG2-OD1 3.46Å; T137-N367 PolarHBondContact OG1-OD1 3.12Å
138	A	85.6	Confident	79	Confident	26 Å²	26	61.5 Å²	61.5	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155	173.8	0	0	0	0	0	110.3	K102 L103 L105 F140	K102-A138 WeakPolarHBondContact CA-O 3.47Å; L103-A138 PolarHBondContact N-O 3.36Å; L103-A138 PolarHBondContact O-N 2.76Å; L105-A138 HydrophobicContact CD1-CB 3.91Å; L105-A138 HydrophobicContact CD2-CB 4.11Å; L105-A138 HydrophobicContact CG-CB 4.13Å; A138-F140 PolarHBondContact O-N 3.48Å
139	P	87.4	Confident	78.9	Confident	61 Å²	61	65.3 Å²	65.3	40%	0.396	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	135.4	172.3	-24.9	34.2	0	0	0	111.1	Q100 V141 Y148	Q100-P139 HydrophobicContact CB-CB 4.5Å; P139-V141 PolarHBondContact O-N 3.32Å; P139-Y148 PolarHBondContact O-OH 3.33Å
140	F	89	Confident	78.7	Confident	3 Å²	3	70.5 Å²	70.5	1%	0.013	38%	0.38	C	S	.	.			trans	-67.5	127.9	-176.4	179.7	-107.2	0	0	0	111.8	C93 A96 Q97 M101 L103 A138 H142 L145 Y148 F156	C93-F140 HydrophobicContact CB-CE1 3.69Å; C93-F140 HydrophobicContact CB-CZ 3.94Å; C93-F140 WeakPolarHBondContact O-CE1 3.42Å; A96-F140 HydrophobicContact CB-CD1 3.77Å; A96-F140 HydrophobicContact CB-CE1 4.38Å; A96-F140 HydrophobicContact CB-CG 4.35Å; Q97-F140 HydrophobicContact CB-CD1 4.12Å; M101-F140 VanDerWaalsContact O-CB 3.26Å; M101-F140 WeakPolarHBondContact O-CB 3.46Å; M101-F140 PolarHBondContact O-N 3.06Å; L103-F140 HydrophobicContact CD1-CB 4.07Å; L103-F140 HydrophobicContact CD1-CD2 3.4Å; L103-F140 HydrophobicContact CD1-CE2 4.05Å; L103-F140 HydrophobicContact CD1-CG 3.89Å; L103-F140 HydrophobicContact CG-CB 4.28Å; L103-F140 HydrophobicContact CG-CD2 4.37Å; A138-F140 PolarHBondContact O-N 3.48Å; F140-H142 HydrophobicContact CE1-CB 4.06Å; F140-H142 HydrophobicContact CZ-CB 4.39Å; F140-L145 HydrophobicContact CE2-CD2 3.81Å; F140-L145 HydrophobicContact CZ-CD2 3.85Å; F140-Y148 WeakPolarHBondContact CA-OH 3.47Å; F140-Y148 HydrophobicContact CD2-CD2 4.35Å; F140-Y148 HydrophobicContact CD2-CE1 4.37Å; F140-Y148 AromaticContact CD2-CE2 3.89Å; F140-Y148 HydrophobicContact CD2-CE2 3.89Å; F140-Y148 AromaticContact CD2-CZ 3.92Å; F140-Y148 HydrophobicContact CE2-CD2 4.32Å; F140-Y148 HydrophobicContact CE2-CE2 4.13Å; F140-F156 HydrophobicContact CD2-CE1 4.23Å; F140-F156 HydrophobicContact CD2-CZ 4.2Å; F140-F156 AromaticContact CE2-CE1 3.67Å; F140-F156 HydrophobicContact CE2-CE1 3.67Å; F140-F156 AromaticContact CE2-CZ 3.68Å; F140-F156 HydrophobicContact CE2-CZ 3.68Å; F140-F156 HydrophobicContact CZ-CE1 4.27Å
141	V	90.4	Very high	78.8	Confident	55 Å²	55	72.4 Å²	72.4	33%	0.333	39%	0.385	S	S	.	.			trans	-123	116.1	174	-179.2	0	0	0	0	108.8	P139 S143 R144 Y148	P139-V141 PolarHBondContact O-N 3.32Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 WeakPolarHBondContact CG1-OG 3.16Å; V141-S143 PolarHBondContact O-N 3.31Å; V141-R144 HydrophobicContact CB-CB 4.37Å; V141-R144 HydrophobicContact CG1-CB 4.44Å; V141-R144 HydrophobicContact CG1-CG 4.19Å; V141-R144 PolarHBondContact O-N 2.94Å; V141-Y148 PolarHBondContact N-OH 3.38Å; V141-Y148 VanDerWaalsContact N-OH 3.15Å
142	H	87.3	Confident	79.5	Confident	79 Å²	79	71.2 Å²	71.2	37%	0.366	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-62	-31.6	-174.2	-176.6	47.5	0	0	0	113.4	C93 F140 R144 L145	C93-H142 HydrophobicContact CB-CB 4.49Å; C93-H142 VanDerWaalsContact CB-ND1 3.31Å; C93-H142 WeakPolarHBondContact CB-ND1 3.43Å; F140-H142 HydrophobicContact CE1-CB 4.06Å; F140-H142 HydrophobicContact CZ-CB 4.39Å; H142-R144 PolarHBondContact O-N 2.93Å; H142-L145 WeakPolarHBondContact O-CG 3.26Å
143	S	88.8	Confident	80.3	Confident	100 Å²	100	71.5 Å²	71.5	70%	0.699	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-73	-9.1	177.6	58.2	0	0	0	0	114.3	V141	V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 WeakPolarHBondContact CG1-OG 3.16Å; V141-S143 PolarHBondContact O-N 3.31Å
144	R	88.1	Confident	80.9	Confident	116 Å²	116	71.8 Å²	71.8	44%	0.438	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-121.3	41.3	-175.1	-62	-61.5	-60.9	-91.6	2.6	112.4	V141 H142 D146 L147 Y148	V141-R144 HydrophobicContact CB-CB 4.37Å; V141-R144 HydrophobicContact CG1-CB 4.44Å; V141-R144 HydrophobicContact CG1-CG 4.19Å; V141-R144 PolarHBondContact O-N 2.94Å; H142-R144 PolarHBondContact O-N 2.93Å; R144-D146 WeakPolarHBondContact CA-OD1 3.41Å; R144-D146 IonicContact NE-OD1 3.66Å; R144-D146 PolarHBondContact NE-OD1 2.96Å; R144-D146 IonicContact NE-OD2 3.82Å; R144-D146 IonicContact NH2-OD2 3.91Å; R144-D146 PolarHBondContact O-N 2.81Å; R144-L147 HydrophobicContact CB-CD1 3.92Å; R144-L147 HydrophobicContact CB-CG 4.25Å; R144-L147 HydrophobicContact CG-CD1 4.44Å; R144-L147 PolarHBondContact O-N 3.16Å; R144-L147 VanDerWaalsContact O-N 3.15Å; R144-Y148 WeakPolarHBondContact O-CD2 3.31Å; R144-Y148 WeakPolarHBondContact O-CE2 3.48Å
145	L	85.7	Confident	81.4	Confident	45 Å²	45	70 Å²	70	24%	0.236	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-57.2	-27	177.9	-78.5	166.6	0	0	0	112.9	F89 F140 H142 L147 Y148 F156	F89-L145 HydrophobicContact CZ-CD2 4.29Å; F140-L145 HydrophobicContact CE2-CD2 3.81Å; F140-L145 HydrophobicContact CZ-CD2 3.85Å; H142-L145 WeakPolarHBondContact O-CG 3.26Å; L145-L147 PolarHBondContact O-N 3.43Å; L145-Y148 PolarHBondContact O-N 2.77Å; L145-F156 HydrophobicContact CD2-CE1 4.5Å; L145-F156 HydrophobicContact CD2-CZ 4.16Å
146	D	83.6	Confident	82	Confident	112 Å²	112	66.2 Å²	66.2	60%	0.599	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.5	176.2	61.2	-57.6	0	0	0	114.3	R144 Y148	R144-D146 WeakPolarHBondContact CA-OD1 3.41Å; R144-D146 IonicContact NE-OD1 3.66Å; R144-D146 PolarHBondContact NE-OD1 2.96Å; R144-D146 IonicContact NE-OD2 3.82Å; R144-D146 IonicContact NH2-OD2 3.91Å; R144-D146 PolarHBondContact O-N 2.81Å; D146-Y148 VanDerWaalsContact C-N 3.33Å
147	L	85.1	Confident	82.4	Confident	67 Å²	67	62.6 Å²	62.6	35%	0.351	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-81.4	-13.5	-178.4	-66.6	-179	0	0	0	113.6	L105 D106 R144 L145	L105-L147 CarbonylContact C-O 3.56Å; L105-L147 VanDerWaalsContact CA-O 3.32Å; L105-L147 WeakPolarHBondContact CA-O 3.49Å; L105-L147 HydrophobicContact CD2-CB 3.95Å; D106-L147 PolarHBondContact N-O 3.17Å; R144-L147 HydrophobicContact CB-CD1 3.92Å; R144-L147 HydrophobicContact CB-CG 4.25Å; R144-L147 HydrophobicContact CG-CD1 4.44Å; R144-L147 PolarHBondContact O-N 3.16Å; R144-L147 VanDerWaalsContact O-N 3.15Å; L145-L147 PolarHBondContact O-N 3.43Å
148	Y	84.3	Confident	82.4	Confident	9 Å²	9	64.1 Å²	64.1	4%	0.035	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-106.3	155.4	-175.2	-54.8	-84.8	0	0	0	109.8	L103 P104 L105 P139 F140 V141 R144 L145 D146 W150 F156	L103-Y148 HydrophobicContact CB-CD1 3.75Å; L103-Y148 HydrophobicContact CB-CE1 3.81Å; P104-Y148 WeakPolarHBondContact O-CD1 3.47Å; L105-Y148 HydrophobicContact CD2-CD1 3.95Å; L105-Y148 HydrophobicContact CD2-CE1 3.69Å; P139-Y148 PolarHBondContact O-OH 3.33Å; F140-Y148 WeakPolarHBondContact CA-OH 3.47Å; F140-Y148 HydrophobicContact CD2-CD2 4.35Å; F140-Y148 HydrophobicContact CD2-CE1 4.37Å; F140-Y148 AromaticContact CD2-CE2 3.89Å; F140-Y148 HydrophobicContact CD2-CE2 3.89Å; F140-Y148 AromaticContact CD2-CZ 3.92Å; F140-Y148 HydrophobicContact CE2-CD2 4.32Å; F140-Y148 HydrophobicContact CE2-CE2 4.13Å; V141-Y148 PolarHBondContact N-OH 3.38Å; V141-Y148 VanDerWaalsContact N-OH 3.15Å; R144-Y148 WeakPolarHBondContact O-CD2 3.31Å; R144-Y148 WeakPolarHBondContact O-CE2 3.48Å; L145-Y148 PolarHBondContact O-N 2.77Å; D146-Y148 VanDerWaalsContact C-N 3.33Å; Y148-W150 PolarHBondContact O-N 3.13Å; Y148-F156 HydrophobicContact CD2-CZ 4.46Å; Y148-F156 HydrophobicContact CG-CE2 4.36Å; Y148-F156 HydrophobicContact CG-CZ 4.13Å
149	H	72.7	Confident	82.4	Confident	81 Å²	81	66.4 Å²	66.4	38%	0.375	35%	0.346	S	S	.	.			trans	-67.9	101.5	174.8	-171.7	66.4	0	0	0	109.8	D106 V151	D106-H149 IonicContact OD2-ND1 3.41Å; D106-H149 PolarHBondContact OD2-ND1 3.49Å; H149-V151 WeakPolarHBondContact NE2-CG2 3.28Å
150	W	70.3	Confident	82.3	Confident	138 Å²	138	65.2 Å²	65.2	52%	0.523	34%	0.336	S	S	.	.			trans	-110.9	113.6	-176.9	-172.4	80.6	0	0	0	109.7	Y148 F156	Y148-W150 PolarHBondContact O-N 3.13Å; W150-F156 AromaticContact CD1-CD2 3.95Å
151	V	69.2	Low	82.3	Confident	74 Å²	74	67 Å²	67	45%	0.448	34%	0.344	S	S	.	.	S	Bend	trans	-110.5	-50.1	174.7	-179.4	0	0	0	0	109.9	P10 H149	P10-V151 HydrophobicContact CG-CG2 4.43Å; H149-V151 WeakPolarHBondContact NE2-CG2 3.28Å
152	D	76.4	Confident	82.3	Confident	65 Å²	65	64.9 Å²	64.9	35%	0.348	33%	0.331	S	S	.	.			trans	-153.5	148.5	-177	-173.6	6.6	0	0	0	109	D154 C155 F156	D152-D154 PolarHBondContact O-N 2.92Å; D152-C155 HydrophobicContact CB-CB 4.44Å; D152-C155 PolarHBondContact O-N 3.16Å; D152-F156 PolarHBondContact O-N 3.03Å; D152-F156 VanDerWaalsContact O-N 3.12Å
153	E	81	Confident	82.6	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-35.6	177	-65.9	-167.7	172.9	0	0	111.6	F89	F89-E153 HydrophobicContact CB-CB 4.12Å; F89-E153 HydrophobicContact CB-CG 4.45Å; F89-E153 WeakPolarHBondContact CB-OE2 3.14Å; F89-E153 HydrophobicContact CD1-CB 4.15Å; F89-E153 HydrophobicContact CD1-CG 3.77Å; F89-E153 HydrophobicContact CD2-CB 3.95Å; F89-E153 HydrophobicContact CD2-CG 4.44Å; F89-E153 WeakPolarHBondContact CD2-O 3.4Å; F89-E153 HydrophobicContact CE1-CG 4.09Å; F89-E153 HydrophobicContact CE2-CB 4.42Å; F89-E153 HydrophobicContact CG-CB 3.81Å; F89-E153 HydrophobicContact CG-CG 3.97Å
154	D	75.2	Confident	82.7	Confident	73 Å²	73	62.8 Å²	62.8	39%	0.39	31%	0.306	S	S	.	.	H	α-helix	trans	-75	-26.9	-177.1	-76.2	-15.6	0	0	0	113.4	R36 D152	R36-D154 IonicContact CZ-OD1 2.77Å; R36-D154 IonicContact NH1-OD1 2.72Å; R36-D154 PolarHBondContact NH1-OD1 2.94Å; R36-D154 IonicContact NH2-OD1 3.77Å; R36-D154 PolarHBondContact NH2-OD1 2.88Å; D152-D154 PolarHBondContact O-N 2.92Å
155	C	74.1	Confident	82.8	Confident	55 Å²	55	57.2 Å²	57.2	37%	0.372	29%	0.285	S	S	.	.	H	α-helix	trans	-99	-9.7	-178.2	-62.8	0	0	0	0	113.8	D152	D152-C155 HydrophobicContact CB-CB 4.44Å; D152-C155 PolarHBondContact O-N 3.16Å
156	F	85.2	Confident	83.2	Confident	25 Å²	25	55.1 Å²	55.1	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-46.7	-174.1	-176.9	-101.3	0	0	0	113.2	F89 L103 F140 L145 Y148 W150 D152	F89-F156 HydrophobicContact CE2-CB 3.84Å; F89-F156 AromaticContact CE2-CD1 3.76Å; F89-F156 HydrophobicContact CE2-CD1 3.76Å; F89-F156 AromaticContact CE2-CG 3.99Å; F89-F156 HydrophobicContact CE2-CG 3.99Å; F89-F156 HydrophobicContact CZ-CB 4.46Å; F89-F156 HydrophobicContact CZ-CD1 4.16Å; F89-F156 HydrophobicContact CZ-CG 4.32Å; L103-F156 HydrophobicContact CD1-CD1 4.37Å; L103-F156 HydrophobicContact CD1-CE1 3.34Å; L103-F156 HydrophobicContact CD1-CZ 3.54Å; F140-F156 HydrophobicContact CD2-CE1 4.23Å; F140-F156 HydrophobicContact CD2-CZ 4.2Å; F140-F156 AromaticContact CE2-CE1 3.67Å; F140-F156 HydrophobicContact CE2-CE1 3.67Å; F140-F156 AromaticContact CE2-CZ 3.68Å; F140-F156 HydrophobicContact CE2-CZ 3.68Å; F140-F156 HydrophobicContact CZ-CE1 4.27Å; L145-F156 HydrophobicContact CD2-CE1 4.5Å; L145-F156 HydrophobicContact CD2-CZ 4.16Å; Y148-F156 HydrophobicContact CD2-CZ 4.46Å; Y148-F156 HydrophobicContact CG-CE2 4.36Å; Y148-F156 HydrophobicContact CG-CZ 4.13Å; W150-F156 AromaticContact CD1-CD2 3.95Å; D152-F156 PolarHBondContact O-N 3.03Å; D152-F156 VanDerWaalsContact O-N 3.12Å
157	F	86.6	Confident	83.6	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.022	26%	0.261	C	S	.	.	S	Bend	trans	-95.6	132.5	174.9	-68.6	-72.2	0	0	0	110.3	F89 L92 A96 L103 Q161 R162 I165	F89-F157 HydrophobicContact CD2-CD2 4.32Å; F89-F157 HydrophobicContact CD2-CE2 4.24Å; F89-F157 HydrophobicContact CE2-CD2 4.13Å; F89-F157 AromaticContact CE2-CE2 3.89Å; F89-F157 HydrophobicContact CE2-CE2 3.89Å; L92-F157 HydrophobicContact CB-CD2 3.87Å; L92-F157 HydrophobicContact CB-CE2 3.62Å; L92-F157 HydrophobicContact CB-CZ 4.36Å; L92-F157 HydrophobicContact CD1-CD2 4.12Å; A96-F157 HydrophobicContact CB-CE1 3.74Å; A96-F157 HydrophobicContact CB-CZ 3.76Å; L103-F157 HydrophobicContact CD1-CD1 4.34Å; L103-F157 HydrophobicContact CD1-CE1 3.74Å; L103-F157 HydrophobicContact CD1-CZ 4.4Å; L103-F157 HydrophobicContact CD2-CD1 4.44Å; L103-F157 HydrophobicContact CD2-CE1 4.43Å; F157-Q161 HydrophobicContact CB-CB 4.33Å; F157-Q161 HydrophobicContact CD1-CB 4.31Å; F157-R162 HydrophobicContact CB-CG 3.67Å; F157-I165 HydrophobicContact CD1-CD1 4.35Å; F157-I165 HydrophobicContact CE1-CD1 4.3Å
158	T	83.6	Confident	83.8	Confident	64 Å²	64	51.1 Å²	51.1	39%	0.393	25%	0.251	S	S	.	.			trans	-64.8	155.9	172.8	71	0	0	0	0	110.8	N160 Q161 R162	T158-N160 PolarHBondContact O-N 3.3Å; T158-N160 VanDerWaalsContact O-N 3.17Å; T158-Q161 WeakPolarHBondContact O-CB 3.15Å; T158-Q161 PolarHBondContact O-N 3.23Å; T158-Q161 VanDerWaalsContact OG1-CG 3.25Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.33Å; T158-Q161 PolarHBondContact OG1-N 3.22Å; T158-R162 WeakPolarHBondContact O-CG 3.2Å; T158-R162 PolarHBondContact O-N 3.25Å
159	I	85.7	Confident	84.1	Confident	74 Å²	74	51.1 Å²	51.1	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-51.1	-43.9	178	-63.8	171.5	0	0	0	110.7	L37 Q161 R162 I163 D202	L37-I159 HydrophobicContact CD2-CD1 4.26Å; L37-I159 HydrophobicContact CD2-CG2 4.4Å; I159-Q161 PolarHBondContact O-N 2.85Å; I159-R162 PolarHBondContact O-N 2.8Å; I159-I163 HydrophobicContact CG2-CD1 3.67Å; I159-I163 HydrophobicContact CG2-CG1 4.4Å; I159-I163 WeakPolarHBondContact O-CB 3.45Å; I159-I163 VanDerWaalsContact O-CG1 3.25Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 3.22Å; I159-D202 HydrophobicContact CD1-CB 4.09Å
160	N	86.2	Confident	85.1	Confident	35 Å²	35	47.3 Å²	47.3	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-38.7	177	-83.4	3.7	0	0	0	114.4	T158 R164 Q244 S245 Y246 F247 G248	T158-N160 PolarHBondContact O-N 3.3Å; T158-N160 VanDerWaalsContact O-N 3.17Å; N160-R164 VanDerWaalsContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CB 3.46Å; N160-R164 PolarHBondContact O-N 2.74Å; N160-Q244 PolarHBondContact ND2-O 2.87Å; N160-S245 PolarHBondContact ND2-O 3.21Å; N160-Y246 WeakPolarHBondContact ND2-CA 2.99Å; N160-Y246 PolarHBondContact ND2-N 3.19Å; N160-Y246 PolarHBondContact ND2-O 2.97Å; N160-Y246 PolarHBondContact OD1-O 2.95Å; N160-F247 PolarHBondContact ND2-N 3.08Å; N160-G248 PolarHBondContact ND2-N 3.46Å; N160-G248 VanDerWaalsContact ND2-N 3.12Å
161	Q	88	Confident	85.8	Confident	40 Å²	40	42.7 Å²	42.7	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-41.8	175.9	-72	167.4	-13.1	0	0	110.8	M101 F157 T158 I159 R164 I165	M101-Q161 HydrophobicContact CE-CB 3.83Å; M101-Q161 HydrophobicContact CE-CG 3.82Å; F157-Q161 HydrophobicContact CB-CB 4.33Å; F157-Q161 HydrophobicContact CD1-CB 4.31Å; T158-Q161 WeakPolarHBondContact O-CB 3.15Å; T158-Q161 PolarHBondContact O-N 3.23Å; T158-Q161 VanDerWaalsContact OG1-CG 3.25Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.33Å; T158-Q161 PolarHBondContact OG1-N 3.22Å; I159-Q161 PolarHBondContact O-N 2.85Å; Q161-R164 PolarHBondContact O-N 3.39Å; Q161-I165 WeakPolarHBondContact O-CD1 3.43Å; Q161-I165 VanDerWaalsContact O-CG1 3.26Å; Q161-I165 WeakPolarHBondContact O-CG1 3.39Å; Q161-I165 PolarHBondContact O-N 3.42Å
162	R	91.9	Very high	86.5	Confident	12 Å²	12	44.8 Å²	44.8	5%	0.045	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-49.3	175.3	-62.1	176.4	63.4	81.3	13.8	111.4	D39 A87 L92 F157 T158 I159 R164 I165 V166	D39-R162 WeakPolarHBondContact OD1-CB 3.47Å; D39-R162 IonicContact OD1-CZ 3.8Å; D39-R162 IonicContact OD1-NE 2.6Å; D39-R162 PolarHBondContact OD1-NE 3.15Å; D39-R162 IonicContact OD1-NH2 3.35Å; D39-R162 PolarHBondContact OD1-NH2 3.28Å; D39-R162 VanDerWaalsContact OD1-NH2 3.16Å; D39-R162 IonicContact OD2-CZ 2.71Å; D39-R162 IonicContact OD2-NE 3.35Å; D39-R162 IonicContact OD2-NH2 3.67Å; D39-R162 PolarHBondContact OD2-NH2 2.94Å; A87-R162 PolarHBondContact O-NH2 3.33Å; L92-R162 HydrophobicContact CD1-CG 4.28Å; L92-R162 VanDerWaalsContact CD1-CZ 3.45Å; F157-R162 HydrophobicContact CB-CG 3.67Å; T158-R162 WeakPolarHBondContact O-CG 3.2Å; T158-R162 PolarHBondContact O-N 3.25Å; I159-R162 PolarHBondContact O-N 2.8Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.5Å; R162-I165 PolarHBondContact O-N 3.18Å; R162-V166 WeakPolarHBondContact O-CG2 3.44Å; R162-V166 PolarHBondContact O-N 2.98Å
163	I	92.7	Very high	87.1	Confident	29 Å²	29	42 Å²	42	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-48.3	174.5	-71.2	165.3	0	0	0	110.1	F40 I159 I165 V166 H167 P199	F40-I163 HydrophobicContact CE2-CB 4.27Å; F40-I163 HydrophobicContact CE2-CG2 3.68Å; F40-I163 WeakPolarHBondContact CE2-O 3.28Å; F40-I163 HydrophobicContact CZ-CG2 4.04Å; I159-I163 HydrophobicContact CG2-CD1 3.67Å; I159-I163 HydrophobicContact CG2-CG1 4.4Å; I159-I163 WeakPolarHBondContact O-CB 3.45Å; I159-I163 VanDerWaalsContact O-CG1 3.25Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 3.22Å; I163-I165 VanDerWaalsContact C-N 3.33Å; I163-I165 PolarHBondContact O-N 3.17Å; I163-V166 PolarHBondContact O-N 3.47Å; I163-H167 WeakPolarHBondContact O-CB 3.45Å; I163-H167 PolarHBondContact O-N 2.94Å; I163-P199 HydrophobicContact CB-CB 4.44Å; I163-P199 HydrophobicContact CD1-CB 3.59Å; I163-P199 HydrophobicContact CD1-CG 4.42Å; I163-P199 HydrophobicContact CG1-CB 3.75Å; I163-P199 HydrophobicContact CG2-CB 3.79Å; I163-P199 HydrophobicContact CG2-CG 4.05Å
164	R	90.3	Very high	87.3	Confident	105 Å²	105	44.4 Å²	44.4	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-59.3	-43.1	179.7	179.8	174.8	174.7	175.6	-2.4	112.4	N160 Q161 R162 D168	N160-R164 VanDerWaalsContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CB 3.46Å; N160-R164 PolarHBondContact O-N 2.74Å; Q161-R164 PolarHBondContact O-N 3.39Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.5Å; R164-D168 PolarHBondContact O-N 3.31Å; R164-D168 VanDerWaalsContact O-N 3.12Å
165	I	91.7	Very high	87.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-48.4	178.6	-68.8	164.1	0	0	0	110.9	L92 R95 A96 L99 M101 F157 Q161 R162 I163 D168 L169	L92-I165 HydrophobicContact CB-CD1 4.41Å; L92-I165 HydrophobicContact CD2-CB 3.93Å; L92-I165 HydrophobicContact CD2-CD1 3.85Å; L92-I165 HydrophobicContact CD2-CG2 3.66Å; R95-I165 HydrophobicContact CB-CG2 3.63Å; R95-I165 HydrophobicContact CG-CG2 3.66Å; A96-I165 HydrophobicContact CB-CD1 4.05Å; L99-I165 HydrophobicContact CD1-CG1 4.4Å; M101-I165 HydrophobicContact CE-CD1 4.3Å; M101-I165 HydrophobicContact CE-CG1 4.23Å; M101-I165 HydrophobicContact SD-CD1 3.68Å; M101-I165 HydrophobicContact SD-CG1 3.46Å; M101-I165 WeakPolarHBondContact SD-CG1 3.06Å; F157-I165 HydrophobicContact CD1-CD1 4.35Å; F157-I165 HydrophobicContact CE1-CD1 4.3Å; Q161-I165 WeakPolarHBondContact O-CD1 3.43Å; Q161-I165 VanDerWaalsContact O-CG1 3.26Å; Q161-I165 WeakPolarHBondContact O-CG1 3.39Å; Q161-I165 PolarHBondContact O-N 3.42Å; R162-I165 PolarHBondContact O-N 3.18Å; I163-I165 VanDerWaalsContact C-N 3.33Å; I163-I165 PolarHBondContact O-N 3.17Å; I165-D168 PolarHBondContact O-N 3.35Å; I165-L169 HydrophobicContact CG2-CD1 4.48Å; I165-L169 PolarHBondContact O-N 2.83Å; I165-L169 VanDerWaalsContact O-N 3.11Å
166	V	94	Very high	88	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-39	-179.2	176	0	0	0	0	111.3	D39 F40 L68 V85 A87 R162 I163 D168 L169 L170	D39-V166 HydrophobicContact CB-CB 4.31Å; D39-V166 HydrophobicContact CB-CG1 4.46Å; D39-V166 HydrophobicContact CB-CG2 3.77Å; F40-V166 HydrophobicContact CB-CG1 4.13Å; F40-V166 HydrophobicContact CD2-CB 3.86Å; F40-V166 HydrophobicContact CD2-CG1 3.52Å; F40-V166 HydrophobicContact CE2-CB 4.28Å; F40-V166 HydrophobicContact CE2-CG1 4.29Å; F40-V166 HydrophobicContact CG-CG1 4.09Å; L68-V166 HydrophobicContact CD2-CG2 4.41Å; V85-V166 HydrophobicContact CG1-CG1 4.05Å; A87-V166 HydrophobicContact CB-CG2 3.65Å; R162-V166 WeakPolarHBondContact O-CG2 3.44Å; R162-V166 PolarHBondContact O-N 2.98Å; I163-V166 PolarHBondContact O-N 3.47Å; V166-D168 VanDerWaalsContact C-N 3.34Å; V166-D168 PolarHBondContact O-N 3.08Å; V166-L169 WeakPolarHBondContact O-CB 3.38Å; V166-L169 PolarHBondContact O-N 3.44Å; V166-L169 VanDerWaalsContact O-N 3.15Å; V166-L170 HydrophobicContact CG1-CD1 4.08Å; V166-L170 HydrophobicContact CG1-CG 4.26Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 2.8Å
167	H	92.4	Very high	87.7	Confident	71 Å²	71	40.3 Å²	40.3	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-43.3	173.9	-177.3	-94.3	0	0	0	112.2	F40 I163 L169 L170 I171 M185	F40-H167 HydrophobicContact CE2-CB 3.9Å; F40-H167 HydrophobicContact CZ-CB 3.75Å; F40-H167 AromaticContact CZ-CD2 3.82Å; I163-H167 WeakPolarHBondContact O-CB 3.45Å; I163-H167 PolarHBondContact O-N 2.94Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 3.33Å; H167-L170 PolarHBondContact O-N 3.08Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.46Å; H167-I171 WeakPolarHBondContact O-CG1 3.25Å; H167-I171 PolarHBondContact O-N 3.42Å; H167-M185 VanDerWaalsContact CD2-CE 3.4Å; H167-M185 WeakPolarHBondContact CD2-CE 3.49Å; H167-M185 WeakPolarHBondContact NE2-CE 3.26Å
168	D	88.5	Confident	87.4	Confident	25 Å²	25	45.6 Å²	45.6	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-33.6	175.5	177	74.2	0	0	0	112.6	R95 L99 R164 I165 V166 R172	R95-D168 IonicContact CZ-OD2 2.94Å; R95-D168 IonicContact NE-OD2 3.5Å; R95-D168 PolarHBondContact NE-OD2 3.13Å; R95-D168 IonicContact NH2-OD1 3.91Å; R95-D168 IonicContact NH2-OD2 2.73Å; R95-D168 PolarHBondContact NH2-OD2 3.31Å; L99-D168 HydrophobicContact CD1-CB 4.27Å; R164-D168 PolarHBondContact O-N 3.31Å; R164-D168 VanDerWaalsContact O-N 3.12Å; I165-D168 PolarHBondContact O-N 3.35Å; V166-D168 VanDerWaalsContact C-N 3.34Å; V166-D168 PolarHBondContact O-N 3.08Å; D168-R172 WeakPolarHBondContact O-CD 3.34Å; D168-R172 VanDerWaalsContact O-CG 3.3Å; D168-R172 WeakPolarHBondContact O-CG 3.42Å; D168-R172 PolarHBondContact O-N 3Å; D168-R172 IonicContact OD1-CZ 2.83Å; D168-R172 VanDerWaalsContact OD1-CZ 3.27Å; D168-R172 IonicContact OD1-NE 2.8Å; D168-R172 PolarHBondContact OD1-NE 2.88Å; D168-R172 IonicContact OD1-NH2 3.78Å; D168-R172 PolarHBondContact OD1-NH2 3Å; D168-R172 IonicContact OD2-NE 3.14Å; D168-R172 PolarHBondContact OD2-NE 3.35Å
169	L	91.2	Very high	87.1	Confident	9 Å²	9	45.6 Å²	45.6	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-46.5	171.8	-70.7	169.2	0	0	0	111.7	L68 L91 R95 I165 V166 H167 I171 R172 A173	L68-L169 HydrophobicContact CD1-CB 4.47Å; L68-L169 HydrophobicContact CD1-CD1 4.44Å; L68-L169 HydrophobicContact CD2-CD1 4.12Å; L68-L169 HydrophobicContact CG-CD1 4.42Å; L91-L169 HydrophobicContact CD2-CD1 3.97Å; L91-L169 HydrophobicContact CG-CD1 4.24Å; R95-L169 HydrophobicContact CG-CD2 4.32Å; R95-L169 HydrophobicContact CG-CG 4.34Å; I165-L169 HydrophobicContact CG2-CD1 4.48Å; I165-L169 PolarHBondContact O-N 2.83Å; I165-L169 VanDerWaalsContact O-N 3.11Å; V166-L169 WeakPolarHBondContact O-CB 3.38Å; V166-L169 PolarHBondContact O-N 3.44Å; V166-L169 VanDerWaalsContact O-N 3.15Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 3.33Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.39Å; L169-R172 PolarHBondContact O-N 3.28Å; L169-R172 VanDerWaalsContact O-N 3.16Å; L169-A173 WeakPolarHBondContact O-CB 3.4Å; L169-A173 PolarHBondContact O-N 3.48Å
170	L	92	Very high	86.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-33.2	-178.8	-71.6	174.3	0	0	0	113.2	F40 L42 F59 L63 V166 H167 G184 M185 V197	F40-L170 HydrophobicContact CB-CD1 4.1Å; F40-L170 HydrophobicContact CD1-CD1 3.63Å; F40-L170 HydrophobicContact CD2-CD1 4.19Å; F40-L170 HydrophobicContact CE1-CD1 4.09Å; F40-L170 HydrophobicContact CG-CD1 3.7Å; L42-L170 HydrophobicContact CD2-CD1 4.35Å; L42-L170 HydrophobicContact CD2-CD2 4.45Å; F59-L170 HydrophobicContact CE1-CD2 4.2Å; F59-L170 HydrophobicContact CZ-CD2 3.94Å; L63-L170 HydrophobicContact CD1-CD2 3.78Å; L63-L170 HydrophobicContact CD2-CD2 3.84Å; L63-L170 HydrophobicContact CG-CD2 4.49Å; V166-L170 HydrophobicContact CG1-CD1 4.08Å; V166-L170 HydrophobicContact CG1-CG 4.26Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 2.8Å; H167-L170 PolarHBondContact O-N 3.08Å; L170-G184 CarbonylContact O-C 3.55Å; L170-G184 WeakPolarHBondContact O-CA 3.43Å; L170-M185 HydrophobicContact CB-CB 4.3Å; L170-M185 HydrophobicContact CB-CG 4.24Å; L170-M185 HydrophobicContact CB-SD 3.83Å; L170-M185 HydrophobicContact CD1-SD 4.19Å; L170-M185 PolarHBondContact O-N 3.16Å; L170-V197 HydrophobicContact CD1-CG1 4.26Å
171	I	86.8	Confident	85.7	Confident	42 Å²	42	54.3 Å²	54.3	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-30.4	176.2	-71.2	178.7	0	0	0	112	H167 L169 G184 M185	H167-I171 WeakPolarHBondContact CE1-CD1 3.46Å; H167-I171 WeakPolarHBondContact O-CG1 3.25Å; H167-I171 PolarHBondContact O-N 3.42Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.39Å; I171-G184 WeakPolarHBondContact O-CA 3.3Å; I171-G184 PolarHBondContact O-N 2.96Å; I171-M185 HydrophobicContact CD1-CE 4.17Å; I171-M185 HydrophobicContact CG1-CE 3.87Å; I171-M185 HydrophobicContact CG1-CG 4.23Å
172	R	83.7	Confident	85	Confident	118 Å²	118	53.3 Å²	53.3	45%	0.445	24%	0.243	S	C	.	.	H	α-helix	trans	-95.1	-19	-174.8	-66.2	176	-167.2	-109.4	6.4	114.1	D168 L169	D168-R172 WeakPolarHBondContact O-CD 3.34Å; D168-R172 VanDerWaalsContact O-CG 3.3Å; D168-R172 WeakPolarHBondContact O-CG 3.42Å; D168-R172 PolarHBondContact O-N 3Å; D168-R172 IonicContact OD1-CZ 2.83Å; D168-R172 VanDerWaalsContact OD1-CZ 3.27Å; D168-R172 IonicContact OD1-NE 2.8Å; D168-R172 PolarHBondContact OD1-NE 2.88Å; D168-R172 IonicContact OD1-NH2 3.78Å; D168-R172 PolarHBondContact OD1-NH2 3Å; D168-R172 IonicContact OD2-NE 3.14Å; D168-R172 PolarHBondContact OD2-NE 3.35Å; L169-R172 PolarHBondContact O-N 3.28Å; L169-R172 VanDerWaalsContact O-N 3.16Å
173	A	87.1	Confident	84.2	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	25%	0.251	C	S	.	.	S	Bend	trans	-60.4	141	179	0	0	0	0	0	111.2	F59 L63 L169 G184	F59-A173 HydrophobicContact CD2-CB 4.09Å; F59-A173 HydrophobicContact CE2-CB 3.53Å; F59-A173 HydrophobicContact CZ-CB 4.31Å; L63-A173 HydrophobicContact CD2-CB 3.69Å; L169-A173 WeakPolarHBondContact O-CB 3.4Å; L169-A173 PolarHBondContact O-N 3.48Å; A173-G184 PolarHBondContact O-N 3.43Å
174	R	85.7	Confident	83.6	Confident	143 Å²	143	53.6 Å²	53.6	54%	0.54	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-76.9	133.9	179.4	-66.9	-176.5	-179.7	171.5	3.7	110.2	Y58 N62	Y58-R174 HydrophobicContact CE1-CB 4.2Å; N62-R174 PolarHBondContact ND2-O 3.27Å
175	C	84.1	Confident	83.5	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.			trans	-110.8	-28	-172.9	-59.3	0	0	0	0	113.4	F59 G184 W187 L188	F59-C175 HydrophobicContact CD2-CB 4.23Å; F59-C175 WeakPolarHBondContact CD2-SG 3.35Å; F59-C175 WeakPolarHBondContact CE2-SG 3.32Å; C175-G184 PolarHBondContact SG-N 3.47Å; C175-G184 PolarHBondContact SG-O 2.85Å; C175-W187 HydrophobicContact CB-CE3 3.8Å; C175-W187 HydrophobicContact CB-CZ3 4.06Å; C175-L188 HydrophobicContact CB-CD1 4.06Å; C175-L188 HydrophobicContact CB-CD2 4.09Å; C175-L188 HydrophobicContact CB-CG 3.93Å
176	D	80.2	Confident	83.2	Confident	21 Å²	21	53.2 Å²	53.2	11%	0.112	25%	0.248	C	C	.	.			trans	-116.4	124.2	-174.2	-170.9	-18.8	0	0	0	110.4	D178 N179 N182 W187	D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact OD1-N 3.1Å; D176-N179 PolarHBondContact OD1-N 3.03Å; D176-N179 WeakPolarHBondContact OD2-CB 3.15Å; D176-N182 HydrophobicContact CB-CB 3.6Å; D176-N182 PolarHBondContact OD2-ND2 3.04Å; D176-W187 HydrophobicContact CB-CH2 4.17Å; D176-W187 HydrophobicContact CB-CZ3 4.4Å
177	P	79.9	Confident	82.6	Confident	46 Å²	46	54.8 Å²	54.8	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	-68.5	-28.6	174.8	27.5	-33.8	0	0	0	113.1	Y58	Y58-P177 HydrophobicContact CD2-CB 4.06Å; Y58-P177 HydrophobicContact CE1-CB 4.47Å; Y58-P177 HydrophobicContact CE2-CB 4.03Å; Y58-P177 HydrophobicContact CG-CB 4.3Å
178	D	79.4	Confident	82.5	Confident	117 Å²	117	51.4 Å²	51.4	63%	0.626	24%	0.238	S	C	*	.	S	Bend	trans	-95.1	-31.8	-168.9	-58.2	-29.9	0	0	0	111.2	R54 D176	R54-D178 IonicContact CZ-OD1 2.98Å; R54-D178 IonicContact CZ-OD2 3.16Å; R54-D178 IonicContact NH1-OD1 2.92Å; R54-D178 IonicContact NH1-OD2 2.96Å; R54-D178 PolarHBondContact NH1-OD2 2.94Å; R54-D178 IonicContact NH2-OD1 3.8Å; R54-D178 PolarHBondContact NH2-OD1 3.27Å; R54-D178 IonicContact NH2-OD2 3.51Å; R54-D178 PolarHBondContact NH2-OD2 3.28Å; D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact OD1-N 3.1Å
179	N	77.1	Confident	82.5	Confident	64 Å²	64	53 Å²	53	34%	0.342	25%	0.246	S	C	.	.			trans	-124.2	110.1	179	-173	0.1	0	0	0	113.5	D176 K181 N182	D176-N179 PolarHBondContact OD1-N 3.03Å; D176-N179 WeakPolarHBondContact OD2-CB 3.15Å; N179-K181 PolarHBondContact O-N 3.21Å; N179-K181 VanDerWaalsContact O-N 3.11Å; N179-K181 WeakPolarHBondContact OD1-CB 3.36Å; N179-K181 PolarHBondContact OD1-N 3.13Å; N179-N182 PolarHBondContact ND2-ND2 3.37Å; N179-N182 PolarHBondContact ND2-OD1 3.3Å; N179-N182 PolarHBondContact O-N 3.28Å; N179-N182 VanDerWaalsContact O-N 3.13Å
180	K	73.2	Confident	82.3	Confident	172 Å²	172	59 Å²	59	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.1	178.3	-67.7	-179.2	-177.9	173.2	0	114.6
181	K	69.7	Low	82	Confident	119 Å²	119	61.6 Å²	61.6	52%	0.517	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-29	178	-62.8	-174.4	173.2	-167.8	0	112.1	N179 H183	N179-K181 PolarHBondContact O-N 3.21Å; N179-K181 VanDerWaalsContact O-N 3.11Å; N179-K181 WeakPolarHBondContact OD1-CB 3.36Å; N179-K181 PolarHBondContact OD1-N 3.13Å; K181-H183 PolarHBondContact O-N 2.88Å; K181-H183 VanDerWaalsContact O-N 3.11Å; K181-H183 PolarHBondContact O-ND1 2.92Å
182	N	73.2	Confident	82.1	Confident	19 Å²	19	61 Å²	61	10%	0.102	29%	0.288	C	S	.	.			trans	-79.9	96.9	-178.7	-66.6	-12.1	0	0	0	109.7	D176 N179 W187	D176-N182 HydrophobicContact CB-CB 3.6Å; D176-N182 PolarHBondContact OD2-ND2 3.04Å; N179-N182 PolarHBondContact ND2-ND2 3.37Å; N179-N182 PolarHBondContact ND2-OD1 3.3Å; N179-N182 PolarHBondContact O-N 3.28Å; N179-N182 VanDerWaalsContact O-N 3.13Å; N182-W187 HydrophobicContact CB-CD2 3.92Å; N182-W187 HydrophobicContact CB-CE3 4.43Å; N182-W187 HydrophobicContact CB-CG 4.29Å; N182-W187 HydrophobicContact CB-CH2 4.37Å; N182-W187 HydrophobicContact CB-CZ2 3.86Å; N182-W187 VanDerWaalsContact CG-NE1 3.34Å; N182-W187 VanDerWaalsContact ND2-CZ2 3.3Å; N182-W187 WeakPolarHBondContact ND2-CZ2 3.46Å; N182-W187 PolarHBondContact OD1-NE1 3.44Å
183	H	74.5	Confident	82.5	Confident	45 Å²	45	55.4 Å²	55.4	21%	0.208	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-132.9	154.7	-176.6	66.9	-83.9	0	0	0	112.7	K181 E383	K181-H183 PolarHBondContact O-N 2.88Å; K181-H183 VanDerWaalsContact O-N 3.11Å; K181-H183 PolarHBondContact O-ND1 2.92Å; H183-E383 IonicContact CE1-OE1 3.7Å; H183-E383 IonicContact CE1-OE2 3.96Å; H183-E383 PolarHBondContact CE1-OE2 3.28Å; H183-E383 VanDerWaalsContact CE1-OE2 3.28Å; H183-E383 IonicContact ND1-OE2 2.75Å
184	G	81.8	Confident	82.8	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	83.5	160.1	174.1	0	0	0	0	0	116.5	L170 I171 A173 C175 H186 W187	L170-G184 CarbonylContact O-C 3.55Å; L170-G184 WeakPolarHBondContact O-CA 3.43Å; I171-G184 WeakPolarHBondContact O-CA 3.3Å; I171-G184 PolarHBondContact O-N 2.96Å; A173-G184 PolarHBondContact O-N 3.43Å; C175-G184 PolarHBondContact SG-N 3.47Å; C175-G184 PolarHBondContact SG-O 2.85Å; G184-H186 PolarHBondContact O-N 3.37Å; G184-W187 PolarHBondContact O-N 2.82Å
185	M	87.6	Confident	83.1	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-30.3	178.1	65.5	174.5	-168.1	0	0	113.9	F59 H167 L170 I171 W187 L188 L189 V197	F59-M185 HydrophobicContact CZ-CB 4.48Å; H167-M185 VanDerWaalsContact CD2-CE 3.4Å; H167-M185 WeakPolarHBondContact CD2-CE 3.49Å; H167-M185 WeakPolarHBondContact NE2-CE 3.26Å; L170-M185 HydrophobicContact CB-CB 4.3Å; L170-M185 HydrophobicContact CB-CG 4.24Å; L170-M185 HydrophobicContact CB-SD 3.83Å; L170-M185 HydrophobicContact CD1-SD 4.19Å; L170-M185 PolarHBondContact O-N 3.16Å; I171-M185 HydrophobicContact CD1-CE 4.17Å; I171-M185 HydrophobicContact CG1-CE 3.87Å; I171-M185 HydrophobicContact CG1-CG 4.23Å; M185-W187 VanDerWaalsContact C-N 3.33Å; M185-W187 PolarHBondContact O-N 3.33Å; M185-L188 PolarHBondContact O-N 3.28Å; M185-L189 WeakPolarHBondContact O-CG 3.38Å; M185-L189 PolarHBondContact O-N 3.12Å; M185-V197 HydrophobicContact SD-CB 4.41Å; M185-V197 HydrophobicContact SD-CG1 3.63Å
186	H	84	Confident	83.6	Confident	89 Å²	89	56.6 Å²	56.6	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-37.9	-178.7	-72.3	-65.6	0	0	0	112.2	G184 L189 R190	G184-H186 PolarHBondContact O-N 3.37Å; H186-L189 PolarHBondContact O-N 3.45Å; H186-R190 PolarHBondContact O-N 2.92Å
187	W	83.4	Confident	84.3	Confident	33 Å²	33	56.9 Å²	56.9	13%	0.125	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.5	-177.2	88.4	0	0	0	111.5	C55 C175 D176 N182 G184 M185 L189 R190 T191	C55-W187 HydrophobicContact CB-CZ3 4.32Å; C175-W187 HydrophobicContact CB-CE3 3.8Å; C175-W187 HydrophobicContact CB-CZ3 4.06Å; D176-W187 HydrophobicContact CB-CH2 4.17Å; D176-W187 HydrophobicContact CB-CZ3 4.4Å; N182-W187 HydrophobicContact CB-CD2 3.92Å; N182-W187 HydrophobicContact CB-CE3 4.43Å; N182-W187 HydrophobicContact CB-CG 4.29Å; N182-W187 HydrophobicContact CB-CH2 4.37Å; N182-W187 HydrophobicContact CB-CZ2 3.86Å; N182-W187 VanDerWaalsContact CG-NE1 3.34Å; N182-W187 VanDerWaalsContact ND2-CZ2 3.3Å; N182-W187 WeakPolarHBondContact ND2-CZ2 3.46Å; N182-W187 PolarHBondContact OD1-NE1 3.44Å; G184-W187 PolarHBondContact O-N 2.82Å; M185-W187 VanDerWaalsContact C-N 3.33Å; M185-W187 PolarHBondContact O-N 3.33Å; W187-L189 VanDerWaalsContact C-N 3.32Å; W187-L189 PolarHBondContact O-N 3.15Å; W187-R190 PolarHBondContact O-N 3.11Å; W187-T191 HydrophobicContact CD2-CG2 4.02Å; W187-T191 HydrophobicContact CE3-CG2 4.37Å; W187-T191 HydrophobicContact CH2-CG2 4.14Å; W187-T191 HydrophobicContact CZ2-CG2 3.76Å; W187-T191 HydrophobicContact CZ3-CG2 4.43Å; W187-T191 WeakPolarHBondContact O-CG2 3.44Å; W187-T191 PolarHBondContact O-N 2.93Å; W187-T191 PolarHBondContact O-OG1 2.88Å; W187-T191 VanDerWaalsContact O-OG1 3.08Å
188	L	88.3	Confident	85	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-30.4	176.7	-68.4	171.4	0	0	0	113.5	C55 F59 C175 M185 T191 G192 A193 Y194	C55-L188 HydrophobicContact CB-CD2 4.28Å; F59-L188 HydrophobicContact CB-CD1 3.77Å; F59-L188 HydrophobicContact CD1-CD1 3.54Å; F59-L188 HydrophobicContact CD2-CD1 3.74Å; F59-L188 HydrophobicContact CE1-CD1 3.93Å; F59-L188 HydrophobicContact CE2-CD1 4.09Å; F59-L188 HydrophobicContact CG-CD1 3.41Å; F59-L188 VanDerWaalsContact CG-CD1 3.41Å; F59-L188 HydrophobicContact CZ-CD1 4.19Å; C175-L188 HydrophobicContact CB-CD1 4.06Å; C175-L188 HydrophobicContact CB-CD2 4.09Å; C175-L188 HydrophobicContact CB-CG 3.93Å; M185-L188 PolarHBondContact O-N 3.28Å; L188-T191 WeakPolarHBondContact CA-OG1 3.41Å; L188-T191 PolarHBondContact O-OG1 3.31Å; L188-G192 PolarHBondContact O-N 2.96Å; L188-A193 HydrophobicContact CB-CB 4.32Å; L188-A193 HydrophobicContact CD2-CB 3.77Å; L188-A193 PolarHBondContact O-N 3.37Å; L188-Y194 HydrophobicContact CB-CD2 3.83Å; L188-Y194 HydrophobicContact CD1-CD2 3.87Å; L188-Y194 HydrophobicContact CD1-CE2 3.81Å; L188-Y194 HydrophobicContact CG-CD2 4.43Å; L188-Y194 PolarHBondContact O-N 3.33Å; L188-Y194 VanDerWaalsContact O-N 3.08Å
189	L	90	Very high	85.7	Confident	58 Å²	58	56.3 Å²	56.3	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-39.6	171.9	-74.6	169.3	0	0	0	111.6	M185 H186 W187 G192 V197	M185-L189 WeakPolarHBondContact O-CG 3.38Å; M185-L189 PolarHBondContact O-N 3.12Å; H186-L189 PolarHBondContact O-N 3.45Å; W187-L189 VanDerWaalsContact C-N 3.32Å; W187-L189 PolarHBondContact O-N 3.15Å; L189-G192 PolarHBondContact O-N 2.99Å; L189-V197 HydrophobicContact CD1-CB 4.31Å; L189-V197 HydrophobicContact CD1-CG2 4.37Å; L189-V197 HydrophobicContact CD2-CG2 4.06Å; L189-V197 HydrophobicContact CG-CG2 4.28Å
190	R	85.6	Confident	86.4	Confident	134 Å²	134	54.6 Å²	54.6	51%	0.506	27%	0.266	S	S	.	.	H	α-helix	trans	-68.6	-43.2	178.8	-178.1	-178.6	-65.5	164.9	3.2	112.5	H186 W187 G192 E381 E384	H186-R190 PolarHBondContact O-N 2.92Å; W187-R190 PolarHBondContact O-N 3.11Å; R190-G192 PolarHBondContact O-N 2.9Å; R190-E381 IonicContact CZ-OE1 2.64Å; R190-E381 IonicContact NH2-OE1 3.78Å; R190-E381 PolarHBondContact NH2-OE1 2.8Å; R190-E384 IonicContact NH1-OE2 3.27Å
191	T	86.7	Confident	87.3	Confident	56 Å²	56	50.9 Å²	50.9	34%	0.344	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.6	176.5	54.6	0	0	0	0	112.8	W187 L188 A193	W187-T191 HydrophobicContact CD2-CG2 4.02Å; W187-T191 HydrophobicContact CE3-CG2 4.37Å; W187-T191 HydrophobicContact CH2-CG2 4.14Å; W187-T191 HydrophobicContact CZ2-CG2 3.76Å; W187-T191 HydrophobicContact CZ3-CG2 4.43Å; W187-T191 WeakPolarHBondContact O-CG2 3.44Å; W187-T191 PolarHBondContact O-N 2.93Å; W187-T191 PolarHBondContact O-OG1 2.88Å; W187-T191 VanDerWaalsContact O-OG1 3.08Å; L188-T191 WeakPolarHBondContact CA-OG1 3.41Å; L188-T191 PolarHBondContact O-OG1 3.31Å; T191-A193 VanDerWaalsContact C-N 3.34Å
192	G	88.9	Confident	88	Confident	29 Å²	29	46.7 Å²	46.7	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	8.3	-178.9	0	0	0	0	0	114.1	Q48 L188 L189 R190 Y194	Q48-G192 PolarHBondContact NE2-O 3.01Å; L188-G192 PolarHBondContact O-N 2.96Å; L189-G192 PolarHBondContact O-N 2.99Å; R190-G192 PolarHBondContact O-N 2.9Å; G192-Y194 VanDerWaalsContact C-N 3.26Å; G192-Y194 PolarHBondContact O-N 3.17Å
193	A	91.6	Very high	88.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-62.7	-34.2	173.8	0	0	0	0	0	112.2	Y44 Q48 L52 L188 T191	Y44-A193 WeakPolarHBondContact CB-O 3.45Å; Q48-A193 PolarHBondContact OE1-O 2.82Å; Q48-A193 VanDerWaalsContact OE1-O 3.13Å; L52-A193 HydrophobicContact CB-CB 4.46Å; L52-A193 HydrophobicContact CD2-CB 4.15Å; L188-A193 HydrophobicContact CB-CB 4.32Å; L188-A193 HydrophobicContact CD2-CB 3.77Å; L188-A193 PolarHBondContact O-N 3.37Å; T191-A193 VanDerWaalsContact C-N 3.34Å
194	Y	93.5	Very high	89.1	Confident	2 Å²	2	48 Å²	48	1%	0.008	26%	0.255	C	S	.	.			trans	-114.5	142.1	164.5	-77.3	-67.3	0	0	0	110	L42 Y44 R56 F59 E60 I83 L188 G192 V197	L42-Y194 HydrophobicContact CB-CD1 3.93Å; L42-Y194 HydrophobicContact CB-CE1 3.57Å; L42-Y194 HydrophobicContact CD1-CE1 4.18Å; L42-Y194 HydrophobicContact CD1-CE2 4.33Å; L42-Y194 HydrophobicContact CG-CE1 4.49Å; Y44-Y194 HydrophobicContact CD1-CD1 4.4Å; Y44-Y194 AromaticContact CD1-CE1 3.91Å; Y44-Y194 HydrophobicContact CD1-CE1 3.91Å; Y44-Y194 HydrophobicContact CG-CE1 4.44Å; R56-Y194 HydrophobicContact CG-CE1 4.2Å; R56-Y194 HydrophobicContact CG-CE2 4.03Å; F59-Y194 AromaticContact CD1-CE2 3.84Å; F59-Y194 HydrophobicContact CD1-CE2 3.84Å; F59-Y194 HydrophobicContact CE1-CE2 4.09Å; E60-Y194 WeakPolarHBondContact CG-OH 3.45Å; E60-Y194 PolarHBondContact OE1-OH 3.3Å; I83-Y194 HydrophobicContact CD1-CE1 4.07Å; I83-Y194 WeakPolarHBondContact CD1-OH 3.43Å; L188-Y194 HydrophobicContact CB-CD2 3.83Å; L188-Y194 HydrophobicContact CD1-CD2 3.87Å; L188-Y194 HydrophobicContact CD1-CE2 3.81Å; L188-Y194 HydrophobicContact CG-CD2 4.43Å; L188-Y194 PolarHBondContact O-N 3.33Å; L188-Y194 VanDerWaalsContact O-N 3.08Å; G192-Y194 VanDerWaalsContact C-N 3.26Å; G192-Y194 PolarHBondContact O-N 3.17Å; Y194-V197 HydrophobicContact CG-CG2 4.43Å
195	K	92.4	Very high	89.2	Confident	142 Å²	142	52 Å²	52	62%	0.617	27%	0.273	S	S	*	.	S	Bend	trans	-87.4	-34.7	176.4	-172.5	171.6	-173.6	169.3	0	112.2	V43 L80	V43-K195 PolarHBondContact O-N 3.28Å; L80-K195 HydrophobicContact CD2-CD 4.15Å
196	A	93.9	Very high	89.2	Confident	31 Å²	31	55 Å²	55	26%	0.256	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	146.5	178	0	0	0	0	0	110.8	V43 Y198	V43-A196 HydrophobicContact CB-CB 4.24Å; V43-A196 HydrophobicContact CG2-CB 4.37Å; V43-A196 PolarHBondContact N-O 3.29Å; V43-A196 PolarHBondContact O-N 2.87Å; A196-Y198 HydrophobicContact CB-CD1 3.99Å; A196-Y198 HydrophobicContact CB-CE1 4.05Å
197	V	94.8	Very high	89.2	Confident	27 Å²	27	53.1 Å²	53.1	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.5	171.6	174.3	0	0	0	0	106.9	F40 V41 L42 L170 M185 L189 Y194	F40-V197 HydrophobicContact CD1-CG1 3.77Å; F40-V197 HydrophobicContact CE1-CG1 4.04Å; V41-V197 WeakPolarHBondContact O-CA 3.3Å; L42-V197 HydrophobicContact CD2-CB 4.08Å; L42-V197 HydrophobicContact CD2-CG1 3.49Å; L42-V197 VanDerWaalsContact CD2-CG1 3.49Å; L42-V197 HydrophobicContact CD2-CG2 3.62Å; L170-V197 HydrophobicContact CD1-CG1 4.26Å; M185-V197 HydrophobicContact SD-CB 4.41Å; M185-V197 HydrophobicContact SD-CG1 3.63Å; L189-V197 HydrophobicContact CD1-CB 4.31Å; L189-V197 HydrophobicContact CD1-CG2 4.37Å; L189-V197 HydrophobicContact CD2-CG2 4.06Å; L189-V197 HydrophobicContact CG-CG2 4.28Å; Y194-V197 HydrophobicContact CG-CG2 4.43Å
198	Y	95	Very high	89.2	Confident	98 Å²	98	60.4 Å²	60.4	38%	0.384	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.2	-177	55.9	-91.9	0	0	0	112.3	V41 V43 A196	V41-Y198 HydrophobicContact CB-CD2 4.44Å; V41-Y198 HydrophobicContact CB-CE2 4Å; V41-Y198 HydrophobicContact CG1-CE2 4.4Å; V41-Y198 HydrophobicContact CG2-CE2 4.43Å; V41-Y198 PolarHBondContact N-O 3.3Å; V41-Y198 PolarHBondContact O-N 3.11Å; V41-Y198 VanDerWaalsContact O-N 3.08Å; V43-Y198 HydrophobicContact CG2-CE1 3.86Å; A196-Y198 HydrophobicContact CB-CD1 3.99Å; A196-Y198 HydrophobicContact CB-CE1 4.05Å
199	P	94.3	Very high	89	Confident	54 Å²	54	66.9 Å²	66.9	35%	0.351	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.8	166.3	30.2	-32.2	0	0	0	110.4	F40 I163	F40-P199 HydrophobicContact CE2-CB 4.37Å; F40-P199 HydrophobicContact CZ-CB 4.31Å; F40-P199 HydrophobicContact CZ-CG 4.41Å; I163-P199 HydrophobicContact CB-CB 4.44Å; I163-P199 HydrophobicContact CD1-CB 3.59Å; I163-P199 HydrophobicContact CD1-CG 4.42Å; I163-P199 HydrophobicContact CG1-CB 3.75Å; I163-P199 HydrophobicContact CG2-CB 3.79Å; I163-P199 HydrophobicContact CG2-CG 4.05Å
200	P	92.5	Very high	88.7	Confident	27 Å²	27	65.1 Å²	65.1	18%	0.175	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-74.9	152.6	174.8	32.6	-35	0	0	0	111.4	L37 P38 V41	L37-P200 HydrophobicContact CD1-CG 4.34Å; L37-P200 HydrophobicContact CG-CG 4.26Å; P38-P200 HydrophobicContact CG-CG 4.08Å; P38-P200 WeakPolarHBondContact O-CD 3.4Å; P38-P200 WeakPolarHBondContact O-CG 3.43Å; V41-P200 HydrophobicContact CG2-CB 4.42Å; V41-P200 HydrophobicContact CG2-CG 4.4Å
201	H	91.5	Very high	88.4	Confident	94 Å²	94	62.6 Å²	62.6	44%	0.435	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-74.2	152.5	167	-69.6	-70.4	0	0	0	110.6	G203 Y246	H201-G203 PolarHBondContact O-N 2.85Å; H201-G203 VanDerWaalsContact O-N 3.13Å; H201-Y246 AromaticContact ND1-CE1 3.99Å; H201-Y246 AromaticContact ND1-CZ 3.73Å; H201-Y246 PolarHBondContact ND1-OH 3.28Å
202	D	85.4	Confident	87.9	Confident	31 Å²	31	62.2 Å²	62.2	17%	0.166	33%	0.328	C	S	.	.	S	Bend	trans	-59.8	-15	175.5	62.2	-26.9	0	0	0	115.4	I159 S219 V220 R221 Y246	I159-D202 HydrophobicContact CD1-CB 4.09Å; D202-S219 VanDerWaalsContact OD2-CB 3.24Å; D202-S219 WeakPolarHBondContact OD2-CB 3.47Å; D202-V220 PolarHBondContact OD2-N 2.84Å; D202-R221 WeakPolarHBondContact OD1-CB 3.46Å; D202-R221 PolarHBondContact OD2-N 3.01Å; D202-R221 VanDerWaalsContact OD2-N 3.16Å; D202-Y246 HydrophobicContact CB-CE2 4.4Å; D202-Y246 VanDerWaalsContact OD1-CE2 3.29Å; D202-Y246 WeakPolarHBondContact OD1-CE2 3.25Å; D202-Y246 PolarHBondContact OD1-OH 3.07Å
203	G	83.7	Confident	87.3	Confident	32 Å²	32	64.2 Å²	64.2	33%	0.33	34%	0.337	S	S	.	.	S	Bend	trans	167.1	-164.3	174	0	0	0	0	0	114.6	H201 R221	H201-G203 PolarHBondContact O-N 2.85Å; H201-G203 VanDerWaalsContact O-N 3.13Å; G203-R221 PolarHBondContact O-NH1 2.69Å
204	S	86.6	Confident	86.7	Confident	60 Å²	60	66.7 Å²	66.7	42%	0.42	35%	0.35	S	S	.	.			trans	-62.5	155	174.3	-171.8	0	0	0	0	111.3	D206 Q222	S204-D206 PolarHBondContact OG-N 2.92Å; S204-Q222 VanDerWaalsContact O-CG 3.28Å; S204-Q222 WeakPolarHBondContact O-CG 3.32Å
205	H	84.1	Confident	85.8	Confident	86 Å²	86	69.8 Å²	69.8	40%	0.398	36%	0.362	S	S	.	.	S	Bend	trans	-86.4	-17.1	172.2	68	-64	0	0	0	112.5	Y207	H205-Y207 PolarHBondContact O-N 3.04Å
206	D	86.6	Confident	84.8	Confident	72 Å²	72	68.7 Å²	68.7	39%	0.385	35%	0.354	S	S	.	.			trans	-77.3	120.9	-179.3	-68.2	-46.6	0	0	0	110.3	S204 H209 Q222	S204-D206 PolarHBondContact OG-N 2.92Å; D206-H209 PolarHBondContact O-CE1 3.01Å; D206-Q222 PolarHBondContact O-NE2 3.31Å
207	Y	84.5	Confident	84	Confident	49 Å²	49	70.7 Å²	70.7	19%	0.192	36%	0.358	C	S	.	.			trans	-111.4	-1.7	178	60.5	-91.4	0	0	0	112.6	H205 H209 L210 W218 R225 Y226	H205-Y207 PolarHBondContact O-N 3.04Å; Y207-H209 PolarHBondContact O-N 3.27Å; Y207-H209 VanDerWaalsContact O-N 3.09Å; Y207-L210 WeakPolarHBondContact O-CB 3.49Å; Y207-L210 PolarHBondContact O-N 2.83Å; Y207-W218 AromaticContact CD2-CH2 3.83Å; Y207-W218 HydrophobicContact CD2-CH2 3.83Å; Y207-W218 HydrophobicContact CD2-CZ3 4.19Å; Y207-W218 HydrophobicContact CG-CH2 4.14Å; Y207-W218 HydrophobicContact CG-CZ3 4.07Å; Y207-R225 HydrophobicContact CD1-CB 4.34Å; Y207-R225 HydrophobicContact CD1-CG 4.07Å; Y207-R225 HydrophobicContact CE1-CB 4.34Å; Y207-R225 HydrophobicContact CE1-CG 3.72Å; Y207-Y226 HydrophobicContact CD2-CD2 4.21Å; Y207-Y226 AromaticContact CE2-CD2 3.66Å; Y207-Y226 HydrophobicContact CE2-CD2 3.66Å; Y207-Y226 HydrophobicContact CE2-CE2 4.46Å
208	K	84.2	Confident	83.3	Confident	187 Å²	187	69.8 Å²	69.8	81%	0.813	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	-172	-66.2	-177.5	179.8	178	0	114.4
209	H	83.9	Confident	82.8	Confident	136 Å²	136	65.3 Å²	65.3	63%	0.63	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4	-178.9	60.9	-85.8	0	0	0	113.1	D206 Y207	D206-H209 PolarHBondContact O-CE1 3.01Å; Y207-H209 PolarHBondContact O-N 3.27Å; Y207-H209 VanDerWaalsContact O-N 3.09Å
210	L	82.2	Confident	82.3	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.11	33%	0.329	C	S	.	.	S	Bend	trans	-94.4	140.4	-175.1	-58.9	177.5	0	0	0	110.6	Y207 P212 Q217 W218 Q222	Y207-L210 WeakPolarHBondContact O-CB 3.49Å; Y207-L210 PolarHBondContact O-N 2.83Å; L210-P212 WeakPolarHBondContact O-CD 3.29Å; L210-Q217 WeakPolarHBondContact CD1-O 3.49Å; L210-Q217 HydrophobicContact CD2-CB 3.93Å; L210-W218 HydrophobicContact CB-CZ2 4.18Å; L210-W218 HydrophobicContact CD1-CD2 4.11Å; L210-W218 HydrophobicContact CD1-CG 4.09Å; L210-Q222 HydrophobicContact CD1-CG 4.45Å
211	D	80.9	Confident	82.1	Confident	81 Å²	81	66.9 Å²	66.9	43%	0.433	33%	0.334	S	S	.	.			trans	-71.3	120.8	168.4	-174.3	-9	0	0	0	108.8	S213 D214 W218	D211-S213 PolarHBondContact O-N 3.39Å; D211-S213 VanDerWaalsContact OD1-CB 3.25Å; D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 3.1Å; D211-S213 PolarHBondContact OD1-OG 3.29Å; D211-D214 PolarHBondContact O-N 3.47Å; D211-W218 PolarHBondContact O-NE1 2.86Å
212	P	76.5	Confident	82.1	Confident	48 Å²	48	63 Å²	63	31%	0.312	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.2	176.4	-20.6	32.5	0	0	0	113.4	L124 L210 D214 W218	L124-P212 HydrophobicContact CD1-CB 3.71Å; L124-P212 WeakPolarHBondContact CD1-O 3.33Å; L124-P212 HydrophobicContact CD2-CB 3.65Å; L124-P212 HydrophobicContact CG-CB 4.27Å; L210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-D214 VanDerWaalsContact C-N 3.28Å; P212-D214 PolarHBondContact O-N 3.12Å; P212-W218 HydrophobicContact CB-CZ2 4.08Å; P212-W218 HydrophobicContact CG-CZ2 4.24Å
213	S	75.2	Confident	82.1	Confident	71 Å²	71	61.5 Å²	61.5	50%	0.497	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.9	-176.1	-46.9	0	0	0	0	112.7	K127 D211	K127-S213 PolarHBondContact NZ-O 2.86Å; D211-S213 PolarHBondContact O-N 3.39Å; D211-S213 VanDerWaalsContact OD1-CB 3.25Å; D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 3.1Å; D211-S213 PolarHBondContact OD1-OG 3.29Å
214	D	79.4	Confident	82.4	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	29%	0.294	S	S	.	.			trans	-104.6	94.9	-176.5	-174.3	6.2	0	0	0	112.1	D211 P212 R216 Q217	D211-D214 PolarHBondContact O-N 3.47Å; P212-D214 VanDerWaalsContact C-N 3.28Å; P212-D214 PolarHBondContact O-N 3.12Å; D214-R216 PolarHBondContact O-N 3.44Å; D214-R216 VanDerWaalsContact O-N 3.09Å; D214-R216 VanDerWaalsContact OD1-CB 3.32Å; D214-R216 WeakPolarHBondContact OD1-CB 3.33Å; D214-R216 WeakPolarHBondContact OD1-CG 3.5Å; D214-R216 PolarHBondContact OD1-N 3.28Å; D214-R216 VanDerWaalsContact OD1-N 3.14Å; D214-Q217 HydrophobicContact CB-CG 4.26Å; D214-Q217 PolarHBondContact O-N 3.36Å; D214-Q217 WeakPolarHBondContact OD2-CG 3.48Å; D214-Q217 PolarHBondContact OD2-NE2 3.43Å
215	R	74.5	Confident	82.6	Confident	67 Å²	67	61.7 Å²	61.7	25%	0.253	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-56.4	-27.7	179.9	-180	57.6	172.6	115.4	-9.4	113.3	L128 Q217 W218	L128-R215 VanDerWaalsContact O-CZ 3.26Å; L128-R215 PolarHBondContact O-NE 3.48Å; L128-R215 PolarHBondContact O-NH2 3.39Å; R215-Q217 PolarHBondContact O-N 3.02Å; R215-W218 PolarHBondContact NH1-O 2.64Å; R215-W218 PolarHBondContact O-N 3.15Å; R215-W218 VanDerWaalsContact O-N 3.1Å
216	R	71.6	Confident	82.8	Confident	118 Å²	118	60.7 Å²	60.7	45%	0.445	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27.9	-174.2	-57.8	178.1	-175.6	179.9	7	112.5	E12 R13 D214 W218	E12-R216 VanDerWaalsContact CB-CD 3.44Å; E12-R216 HydrophobicContact CB-CG 3.75Å; E12-R216 VanDerWaalsContact CB-NE 3.31Å; E12-R216 IonicContact OE1-CZ 2.98Å; E12-R216 VanDerWaalsContact OE1-CZ 3.22Å; E12-R216 IonicContact OE1-NE 2.61Å; E12-R216 IonicContact OE1-NH1 3.94Å; E12-R216 IonicContact OE1-NH2 2.82Å; E12-R216 PolarHBondContact OE1-NH2 3.5Å; E12-R216 IonicContact OE2-CZ 2.71Å; E12-R216 IonicContact OE2-NE 3.22Å; E12-R216 PolarHBondContact OE2-NE 3.31Å; E12-R216 IonicContact OE2-NH2 3.7Å; E12-R216 PolarHBondContact OE2-NH2 3.1Å; R13-R216 WeakPolarHBondContact CD-O 3.15Å; R13-R216 PolarHBondContact NE-O 3.01Å; D214-R216 PolarHBondContact O-N 3.44Å; D214-R216 VanDerWaalsContact O-N 3.09Å; D214-R216 VanDerWaalsContact OD1-CB 3.32Å; D214-R216 WeakPolarHBondContact OD1-CB 3.33Å; D214-R216 WeakPolarHBondContact OD1-CG 3.5Å; D214-R216 PolarHBondContact OD1-N 3.28Å; D214-R216 VanDerWaalsContact OD1-N 3.14Å; R216-W218 PolarHBondContact O-N 3.4Å
217	Q	76.7	Confident	82.8	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.341	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-80.8	-6.7	-180	-51.6	177.9	18.8	0	0	112.7	R13 L210 D214 R215	R13-Q217 PolarHBondContact NH2-O 2.83Å; L210-Q217 WeakPolarHBondContact CD1-O 3.49Å; L210-Q217 HydrophobicContact CD2-CB 3.93Å; D214-Q217 HydrophobicContact CB-CG 4.26Å; D214-Q217 PolarHBondContact O-N 3.36Å; D214-Q217 WeakPolarHBondContact OD2-CG 3.48Å; D214-Q217 PolarHBondContact OD2-NE2 3.43Å; R215-Q217 PolarHBondContact O-N 3.02Å
218	W	80	Confident	83	Confident	9 Å²	9	57.4 Å²	57.4	3%	0.034	27%	0.266	C	S	.	.			trans	-100.8	125.5	-173.6	-69.2	62.9	0	0	0	111.6	L128 Y207 L210 D211 P212 R215 R216 Q222 V223 Y226	L128-W218 HydrophobicContact CD2-CD2 4.03Å; L128-W218 HydrophobicContact CD2-CE3 4.34Å; L128-W218 HydrophobicContact CD2-CG 4.2Å; Y207-W218 AromaticContact CD2-CH2 3.83Å; Y207-W218 HydrophobicContact CD2-CH2 3.83Å; Y207-W218 HydrophobicContact CD2-CZ3 4.19Å; Y207-W218 HydrophobicContact CG-CH2 4.14Å; Y207-W218 HydrophobicContact CG-CZ3 4.07Å; L210-W218 HydrophobicContact CB-CZ2 4.18Å; L210-W218 HydrophobicContact CD1-CD2 4.11Å; L210-W218 HydrophobicContact CD1-CG 4.09Å; D211-W218 PolarHBondContact O-NE1 2.86Å; P212-W218 HydrophobicContact CB-CZ2 4.08Å; P212-W218 HydrophobicContact CG-CZ2 4.24Å; R215-W218 PolarHBondContact NH1-O 2.64Å; R215-W218 PolarHBondContact O-N 3.15Å; R215-W218 VanDerWaalsContact O-N 3.1Å; R216-W218 PolarHBondContact O-N 3.4Å; W218-Q222 HydrophobicContact CE3-CB 3.97Å; W218-V223 HydrophobicContact CB-CG2 3.83Å; W218-V223 HydrophobicContact CD2-CG2 4.25Å; W218-V223 HydrophobicContact CE3-CG2 3.68Å; W218-V223 HydrophobicContact CG-CG2 4.35Å; W218-Y226 HydrophobicContact CH2-CD2 4.33Å; W218-Y226 HydrophobicContact CH2-CG 4.17Å; W218-Y226 HydrophobicContact CZ3-CG 4.11Å
219	S	84.2	Confident	83.2	Confident	4 Å²	4	51 Å²	51	3%	0.028	25%	0.248	C	C	.	.			trans	-68.7	161	164.4	79.3	0	0	0	0	110.8	D202 R221 Q222 V223	D202-S219 VanDerWaalsContact OD2-CB 3.24Å; D202-S219 WeakPolarHBondContact OD2-CB 3.47Å; S219-R221 PolarHBondContact O-N 2.81Å; S219-Q222 PolarHBondContact O-N 2.72Å; S219-Q222 WeakPolarHBondContact OG-CB 3.38Å; S219-Q222 VanDerWaalsContact OG-CG 3.27Å; S219-Q222 WeakPolarHBondContact OG-CG 3.23Å; S219-Q222 PolarHBondContact OG-N 3.06Å; S219-Q222 PolarHBondContact OG-OE1 2.72Å; S219-V223 PolarHBondContact O-N 2.65Å; S219-V223 VanDerWaalsContact O-N 3.16Å
220	V	84.2	Confident	83.3	Confident	40 Å²	40	46.9 Å²	46.9	24%	0.242	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176.5	176.2	0	0	0	0	109.6	D202 Q222 V223 L224 L242 Y246	D202-V220 PolarHBondContact OD2-N 2.84Å; V220-Q222 PolarHBondContact O-N 2.88Å; V220-V223 PolarHBondContact O-N 2.93Å; V220-L224 HydrophobicContact CG1-CD1 4.07Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.43Å; V220-L224 PolarHBondContact O-N 2.93Å; V220-L242 HydrophobicContact CG1-CD1 3.66Å; V220-L242 HydrophobicContact CG1-CD2 4.48Å; V220-L242 HydrophobicContact CG1-CG 3.9Å; V220-Y246 HydrophobicContact CB-CD2 3.77Å; V220-Y246 HydrophobicContact CB-CE2 4.24Å; V220-Y246 HydrophobicContact CG1-CD2 3.54Å; V220-Y246 HydrophobicContact CG1-CE2 4.41Å; V220-Y246 HydrophobicContact CG1-CG 3.93Å
221	R	88.7	Confident	83.5	Confident	74 Å²	74	54.8 Å²	54.8	28%	0.279	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-44.7	174.7	-171.2	-178.3	-173.4	-179.4	6.2	113.6	D202 G203 S219 V223 L224 R225 Y246	D202-R221 WeakPolarHBondContact OD1-CB 3.46Å; D202-R221 PolarHBondContact OD2-N 3.01Å; D202-R221 VanDerWaalsContact OD2-N 3.16Å; G203-R221 PolarHBondContact O-NH1 2.69Å; S219-R221 PolarHBondContact O-N 2.81Å; R221-V223 VanDerWaalsContact C-N 3.33Å; R221-L224 PolarHBondContact O-N 3.09Å; R221-R225 WeakPolarHBondContact O-CB 3.17Å; R221-R225 PolarHBondContact O-N 2.8Å; R221-Y246 HydrophobicContact CB-CE1 4.46Å; R221-Y246 HydrophobicContact CB-CE2 4.17Å; R221-Y246 WeakPolarHBondContact CB-OH 3.34Å
222	Q	90.3	Very high	83.7	Confident	11 Å²	11	54.7 Å²	54.7	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-40.9	179.1	-77.3	163.8	-30	0	0	111	S204 D206 L210 W218 S219 V220 R225 Y226	S204-Q222 VanDerWaalsContact O-CG 3.28Å; S204-Q222 WeakPolarHBondContact O-CG 3.32Å; D206-Q222 PolarHBondContact O-NE2 3.31Å; L210-Q222 HydrophobicContact CD1-CG 4.45Å; W218-Q222 HydrophobicContact CE3-CB 3.97Å; S219-Q222 PolarHBondContact O-N 2.72Å; S219-Q222 WeakPolarHBondContact OG-CB 3.38Å; S219-Q222 VanDerWaalsContact OG-CG 3.27Å; S219-Q222 WeakPolarHBondContact OG-CG 3.23Å; S219-Q222 PolarHBondContact OG-N 3.06Å; S219-Q222 PolarHBondContact OG-OE1 2.72Å; V220-Q222 PolarHBondContact O-N 2.88Å; Q222-R225 PolarHBondContact O-N 3.09Å; Q222-Y226 PolarHBondContact O-N 2.83Å
223	V	87.1	Confident	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-46.9	174.7	172.4	0	0	0	0	111.7	L128 W218 S219 V220 R221 R225 Y226 T227 L242	L128-V223 HydrophobicContact CB-CG1 4.12Å; L128-V223 HydrophobicContact CB-CG2 4.4Å; L128-V223 HydrophobicContact CD2-CG2 4.07Å; W218-V223 HydrophobicContact CB-CG2 3.83Å; W218-V223 HydrophobicContact CD2-CG2 4.25Å; W218-V223 HydrophobicContact CE3-CG2 3.68Å; W218-V223 HydrophobicContact CG-CG2 4.35Å; S219-V223 PolarHBondContact O-N 2.65Å; S219-V223 VanDerWaalsContact O-N 3.16Å; V220-V223 PolarHBondContact O-N 2.93Å; R221-V223 VanDerWaalsContact C-N 3.33Å; V223-R225 PolarHBondContact O-N 3.44Å; V223-Y226 PolarHBondContact O-N 3.47Å; V223-Y226 VanDerWaalsContact O-N 3.13Å; V223-T227 HydrophobicContact CG1-CG2 4.07Å; V223-T227 PolarHBondContact O-N 2.98Å; V223-T227 PolarHBondContact O-OG1 2.67Å; V223-L242 HydrophobicContact CB-CD2 4.27Å; V223-L242 HydrophobicContact CG1-CD2 3.61Å
224	L	90.1	Very high	84.5	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-36.2	176.8	-76.4	171.3	0	0	0	112.1	V220 R221 W228 A229 P239 L242 V243 Y246 F247	V220-L224 HydrophobicContact CG1-CD1 4.07Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.43Å; V220-L224 PolarHBondContact O-N 2.93Å; R221-L224 PolarHBondContact O-N 3.09Å; L224-W228 HydrophobicContact CD2-CE3 4.24Å; L224-W228 WeakPolarHBondContact O-CB 3.49Å; L224-W228 PolarHBondContact O-N 2.95Å; L224-A229 PolarHBondContact O-N 3.2Å; L224-P239 HydrophobicContact CD2-CG 4.2Å; L224-L242 HydrophobicContact CD1-CG 4.5Å; L224-L242 HydrophobicContact CD2-CB 4.02Å; L224-L242 HydrophobicContact CD2-CD2 3.78Å; L224-L242 HydrophobicContact CD2-CG 3.84Å; L224-L242 HydrophobicContact CG-CD2 3.88Å; L224-L242 HydrophobicContact CG-CG 4Å; L224-V243 HydrophobicContact CD2-CG2 3.8Å; L224-Y246 HydrophobicContact CD1-CD1 3.8Å; L224-Y246 HydrophobicContact CD1-CG 3.74Å; L224-F247 HydrophobicContact CD1-CE2 4.32Å
225	R	90.3	Very high	84.8	Confident	90 Å²	90	60.4 Å²	60.4	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-67.2	-38.7	175.9	-176.7	62.1	174.9	97.5	3.1	112.4	Y207 R221 Q222 V223 A229 N230	Y207-R225 HydrophobicContact CD1-CB 4.34Å; Y207-R225 HydrophobicContact CD1-CG 4.07Å; Y207-R225 HydrophobicContact CE1-CB 4.34Å; Y207-R225 HydrophobicContact CE1-CG 3.72Å; R221-R225 WeakPolarHBondContact O-CB 3.17Å; R221-R225 PolarHBondContact O-N 2.8Å; Q222-R225 PolarHBondContact O-N 3.09Å; V223-R225 PolarHBondContact O-N 3.44Å; R225-A229 WeakPolarHBondContact CD-O 3.34Å; R225-A229 PolarHBondContact NH1-O 2.81Å; R225-N230 VanDerWaalsContact NH1-CB 3.33Å; R225-N230 PolarHBondContact NH1-OD1 3.44Å
226	Y	87.8	Confident	85.3	Confident	64 Å²	64	60.8 Å²	60.8	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-74.2	-47	179.1	178.7	-102.3	0	0	0	112.4	L124 E125 L128 Y207 W218 Q222 V223 S233	L124-Y226 HydrophobicContact CD2-CE1 4.48Å; E125-Y226 HydrophobicContact CG-CE1 4.23Å; L128-Y226 HydrophobicContact CD1-CD1 3.79Å; L128-Y226 HydrophobicContact CD1-CE1 3.87Å; Y207-Y226 HydrophobicContact CD2-CD2 4.21Å; Y207-Y226 AromaticContact CE2-CD2 3.66Å; Y207-Y226 HydrophobicContact CE2-CD2 3.66Å; Y207-Y226 HydrophobicContact CE2-CE2 4.46Å; W218-Y226 HydrophobicContact CH2-CD2 4.33Å; W218-Y226 HydrophobicContact CH2-CG 4.17Å; W218-Y226 HydrophobicContact CZ3-CG 4.11Å; Q222-Y226 PolarHBondContact O-N 2.83Å; V223-Y226 PolarHBondContact O-N 3.47Å; V223-Y226 VanDerWaalsContact O-N 3.13Å; Y226-S233 PolarHBondContact O-OG 3.24Å
227	T	86.1	Confident	85.9	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-86.8	-25.4	-171.3	60	0	0	0	0	114.1	E125 I129 V223 S233	E125-T227 HydrophobicContact CG-CG2 4.37Å; I129-T227 HydrophobicContact CD1-CG2 4.4Å; I129-T227 HydrophobicContact CG1-CG2 4.23Å; V223-T227 HydrophobicContact CG1-CG2 4.07Å; V223-T227 PolarHBondContact O-N 2.98Å; V223-T227 PolarHBondContact O-OG1 2.67Å; T227-S233 VanDerWaalsContact O-CB 3.29Å; T227-S233 WeakPolarHBondContact O-CB 3.32Å; T227-S233 PolarHBondContact O-OG 3.46Å
228	W	89.4	Confident	86.5	Confident	45 Å²	45	57.1 Å²	57.1	17%	0.17	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-59.3	-169.2	175.9	58.9	0	0	0	113.8	L224 N230 Q238 P239 V243 F247 F255	L224-W228 HydrophobicContact CD2-CE3 4.24Å; L224-W228 WeakPolarHBondContact O-CB 3.49Å; L224-W228 PolarHBondContact O-N 2.95Å; W228-N230 PolarHBondContact O-N 3.04Å; W228-Q238 VanDerWaalsContact NE1-OE1 3.11Å; W228-P239 HydrophobicContact CB-CG 3.88Å; W228-P239 HydrophobicContact CG-CG 4.36Å; W228-V243 HydrophobicContact CD2-CG2 4.16Å; W228-V243 HydrophobicContact CE3-CG2 3.95Å; W228-V243 HydrophobicContact CH2-CG1 4.39Å; W228-V243 HydrophobicContact CH2-CG2 4.19Å; W228-V243 HydrophobicContact CZ2-CG2 4.38Å; W228-V243 HydrophobicContact CZ3-CG2 3.97Å; W228-F247 HydrophobicContact CZ3-CE2 4.3Å; W228-F255 HydrophobicContact CH2-CD1 4.06Å; W228-F255 AromaticContact CH2-CD2 3.65Å; W228-F255 HydrophobicContact CH2-CD2 3.65Å; W228-F255 AromaticContact CH2-CE1 3.85Å; W228-F255 HydrophobicContact CH2-CE1 3.85Å; W228-F255 AromaticContact CH2-CE2 3.46Å; W228-F255 HydrophobicContact CH2-CE2 3.46Å; W228-F255 VanDerWaalsContact CH2-CE2 3.46Å; W228-F255 AromaticContact CH2-CG 3.95Å; W228-F255 HydrophobicContact CH2-CG 3.95Å; W228-F255 AromaticContact CH2-CZ 3.56Å; W228-F255 HydrophobicContact CH2-CZ 3.56Å; W228-F255 HydrophobicContact CZ2-CB 4.27Å; W228-F255 AromaticContact CZ2-CD1 3.45Å; W228-F255 HydrophobicContact CZ2-CD1 3.45Å; W228-F255 VanDerWaalsContact CZ2-CD1 3.45Å; W228-F255 AromaticContact CZ2-CD2 3.78Å; W228-F255 HydrophobicContact CZ2-CD2 3.78Å; W228-F255 AromaticContact CZ2-CE1 3.54Å; W228-F255 HydrophobicContact CZ2-CE1 3.54Å; W228-F255 AromaticContact CZ2-CE2 3.9Å; W228-F255 HydrophobicContact CZ2-CE2 3.9Å; W228-F255 AromaticContact CZ2-CG 3.55Å; W228-F255 HydrophobicContact CZ2-CG 3.55Å; W228-F255 AromaticContact CZ2-CZ 3.77Å; W228-F255 HydrophobicContact CZ2-CZ 3.77Å
229	A	88.8	Confident	87	Confident	53 Å²	53	57.3 Å²	57.3	44%	0.438	30%	0.303	S	S	.	.	S	Bend	trans	-81	46	-172.4	0	0	0	0	0	113	L224 R225	L224-A229 PolarHBondContact O-N 3.2Å; R225-A229 WeakPolarHBondContact CD-O 3.34Å; R225-A229 PolarHBondContact NH1-O 2.81Å
230	N	86.6	Confident	87.3	Confident	49 Å²	49	58.3 Å²	58.3	26%	0.262	31%	0.308	S	S	.	.	S	Bend	trans	-135.9	144	176.7	-166.1	14.5	0	0	0	110.9	R225 W228 A232 S233	R225-N230 VanDerWaalsContact NH1-CB 3.33Å; R225-N230 PolarHBondContact NH1-OD1 3.44Å; W228-N230 PolarHBondContact O-N 3.04Å; N230-A232 PolarHBondContact O-N 3.25Å; N230-S233 PolarHBondContact O-N 3.3Å
231	F	85.5	Confident	87.4	Confident	187 Å²	187	59.2 Å²	59.2	82%	0.82	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33.9	179.5	-72.8	-72.6	0	0	0	112.7	S233 C234	F231-S233 PolarHBondContact O-N 3.11Å; F231-C234 WeakPolarHBondContact O-CB 3.46Å; F231-C234 PolarHBondContact O-N 3.13Å
232	A	85.6	Confident	87.3	Confident	79 Å²	79	56 Å²	56	65%	0.653	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.8	-16.9	175.4	0	0	0	0	0	114	N230	N230-A232 PolarHBondContact O-N 3.25Å
233	S	83.3	Confident	87.3	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-104.4	10.4	-178.7	-58	0	0	0	0	112.8	Y226 T227 N230 F231 L235 K236	Y226-S233 PolarHBondContact O-OG 3.24Å; T227-S233 VanDerWaalsContact O-CB 3.29Å; T227-S233 WeakPolarHBondContact O-CB 3.32Å; T227-S233 PolarHBondContact O-OG 3.46Å; N230-S233 PolarHBondContact O-N 3.3Å; F231-S233 PolarHBondContact O-N 3.11Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.11Å; S233-K236 WeakPolarHBondContact O-CB 3.3Å; S233-K236 PolarHBondContact O-N 3.44Å
234	C	84.9	Confident	87.5	Confident	107 Å²	107	57.1 Å²	57.1	72%	0.723	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.1	-175.7	-179	0	0	0	0	113.9	F231	F231-C234 WeakPolarHBondContact O-CB 3.46Å; F231-C234 PolarHBondContact O-N 3.13Å
235	L	84.7	Confident	87.2	Confident	177 Å²	177	58.6 Å²	58.6	93%	0.927	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	178.5	-63.1	175.1	0	0	0	113.5	S233	S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.11Å
236	K	85.4	Confident	87.1	Confident	75 Å²	75	55.5 Å²	55.5	33%	0.326	30%	0.304	S	S	.	.	S	Bend	trans	-83.7	151.2	-177.7	-65.7	-176.1	-177.3	175.5	0	110.7	E125 S233	E125-K236 WeakPolarHBondContact OE1-CE 3.49Å; E125-K236 IonicContact OE1-NZ 3.39Å; E125-K236 PolarHBondContact OE1-NZ 2.9Å; S233-K236 WeakPolarHBondContact O-CB 3.3Å; S233-K236 PolarHBondContact O-N 3.44Å
237	P	85.3	Confident	87.2	Confident	55 Å²	55	56.4 Å²	56.4	36%	0.357	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.5	174.6	28.1	-36	0	0	0	110.9	L121	L121-P237 HydrophobicContact CD2-CG 4.09Å; L121-P237 HydrophobicContact CG-CG 4.39Å
238	Q	89	Confident	87.4	Confident	59 Å²	59	56.7 Å²	56.7	28%	0.276	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-78.5	130.4	-177.7	-58.8	-175.4	59.4	0	0	111.3	W228 L240	W228-Q238 VanDerWaalsContact NE1-OE1 3.11Å; Q238-L240 HydrophobicContact CB-CD2 4.05Å; Q238-L240 HydrophobicContact CB-CG 4.36Å; Q238-L240 PolarHBondContact O-N 3.46Å
239	P	89.7	Confident	87.3	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	32%	0.318	C	S	.	.			trans	-78.3	69.1	177.5	33.3	-35.6	0	0	0	111.1	I129 L224 W228 N241 L242 V243	I129-P239 HydrophobicContact CD1-CB 4.25Å; I129-P239 HydrophobicContact CG1-CB 4.31Å; I129-P239 HydrophobicContact CG2-CB 4.39Å; L224-P239 HydrophobicContact CD2-CG 4.2Å; W228-P239 HydrophobicContact CB-CG 3.88Å; W228-P239 HydrophobicContact CG-CG 4.36Å; P239-N241 VanDerWaalsContact C-N 3.28Å; P239-N241 PolarHBondContact O-N 2.8Å; P239-L242 HydrophobicContact CB-CB 4.26Å; P239-L242 PolarHBondContact O-N 3.44Å; P239-V243 PolarHBondContact O-N 2.66Å; P239-V243 VanDerWaalsContact O-N 3.08Å
240	L	90.2	Very high	87.4	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-35.3	-170.8	-62.8	174.6	0	0	0	113.9	Q238 L242 V243 Q244 F255 A256 W366	Q238-L240 HydrophobicContact CB-CD2 4.05Å; Q238-L240 HydrophobicContact CB-CG 4.36Å; Q238-L240 PolarHBondContact O-N 3.46Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 2.89Å; L240-V243 PolarHBondContact O-N 3.43Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.45Å; L240-F255 HydrophobicContact CD2-CB 4.48Å; L240-A256 HydrophobicContact CD1-CB 3.9Å; L240-A256 HydrophobicContact CD2-CB 4.03Å; L240-W366 HydrophobicContact CB-CH2 4.28Å; L240-W366 HydrophobicContact CB-CZ2 3.86Å
241	N	86.5	Confident	87.7	Confident	58 Å²	58	64.5 Å²	64.5	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-36.1	177.9	-68.6	-22.8	0	0	0	112.3	H132 P239 Q244 S245 W366	H132-N241 HydrophobicContact CB-CB 4.21Å; P239-N241 VanDerWaalsContact C-N 3.28Å; P239-N241 PolarHBondContact O-N 2.8Å; N241-Q244 PolarHBondContact O-N 3.49Å; N241-S245 WeakPolarHBondContact O-CB 3.37Å; N241-S245 PolarHBondContact O-N 2.91Å; N241-S245 PolarHBondContact O-OG 3.45Å; N241-W366 PolarHBondContact OD1-NE1 3.3Å
242	L	86.9	Confident	88.1	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-74.8	-35.3	177.3	-165.1	65.6	0	0	0	111.2	V220 V223 L224 P239 L240 Q244 S245 Y246	V220-L242 HydrophobicContact CG1-CD1 3.66Å; V220-L242 HydrophobicContact CG1-CD2 4.48Å; V220-L242 HydrophobicContact CG1-CG 3.9Å; V223-L242 HydrophobicContact CB-CD2 4.27Å; V223-L242 HydrophobicContact CG1-CD2 3.61Å; L224-L242 HydrophobicContact CD1-CG 4.5Å; L224-L242 HydrophobicContact CD2-CB 4.02Å; L224-L242 HydrophobicContact CD2-CD2 3.78Å; L224-L242 HydrophobicContact CD2-CG 3.84Å; L224-L242 HydrophobicContact CG-CD2 3.88Å; L224-L242 HydrophobicContact CG-CG 4Å; P239-L242 HydrophobicContact CB-CB 4.26Å; P239-L242 PolarHBondContact O-N 3.44Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 2.89Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-S245 PolarHBondContact O-N 3.44Å; L242-S245 PolarHBondContact O-OG 2.77Å; L242-S245 VanDerWaalsContact O-OG 3.1Å; L242-Y246 VanDerWaalsContact O-CB 3.3Å; L242-Y246 WeakPolarHBondContact O-CB 3.15Å; L242-Y246 PolarHBondContact O-N 2.89Å; L242-Y246 VanDerWaalsContact O-N 3.1Å
243	V	90.9	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-43.2	171.4	176.7	0	0	0	0	110.2	L224 W228 P239 L240 Y246 F247 I251 A252 F255	L224-V243 HydrophobicContact CD2-CG2 3.8Å; W228-V243 HydrophobicContact CD2-CG2 4.16Å; W228-V243 HydrophobicContact CE3-CG2 3.95Å; W228-V243 HydrophobicContact CH2-CG1 4.39Å; W228-V243 HydrophobicContact CH2-CG2 4.19Å; W228-V243 HydrophobicContact CZ2-CG2 4.38Å; W228-V243 HydrophobicContact CZ3-CG2 3.97Å; P239-V243 PolarHBondContact O-N 2.66Å; P239-V243 VanDerWaalsContact O-N 3.08Å; L240-V243 PolarHBondContact O-N 3.43Å; V243-Y246 PolarHBondContact O-N 3.12Å; V243-F247 HydrophobicContact CG1-CD2 4.08Å; V243-F247 WeakPolarHBondContact O-CB 3.02Å; V243-F247 PolarHBondContact O-N 3.26Å; V243-I251 HydrophobicContact CG1-CG2 4.49Å; V243-A252 HydrophobicContact CG1-CB 4.32Å; V243-F255 HydrophobicContact CG1-CD2 4.18Å
244	Q	89.7	Confident	89.1	Confident	36 Å²	36	59.8 Å²	59.8	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-44.9	176.8	-176.6	-90.1	-13.8	0	0	112.4	N160 L240 N241 L242 Y246 G248 E249 A252 W366	N160-Q244 PolarHBondContact ND2-O 2.87Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.45Å; N241-Q244 PolarHBondContact O-N 3.49Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-Y246 PolarHBondContact O-N 3.15Å; Q244-G248 WeakPolarHBondContact O-CA 3.29Å; Q244-G248 PolarHBondContact O-N 3.19Å; Q244-E249 HydrophobicContact CG-CG 4.19Å; Q244-E249 PolarHBondContact NE2-OE1 2.88Å; Q244-E249 VanDerWaalsContact NE2-OE1 3.12Å; Q244-A252 HydrophobicContact CB-CB 3.52Å; Q244-A252 HydrophobicContact CG-CB 4.11Å; Q244-W366 HydrophobicContact CB-CD2 4.25Å; Q244-W366 HydrophobicContact CB-CZ2 4.15Å; Q244-W366 HydrophobicContact CG-CB 4.34Å; Q244-W366 HydrophobicContact CG-CD2 3.83Å; Q244-W366 HydrophobicContact CG-CE3 4.34Å; Q244-W366 HydrophobicContact CG-CG 3.83Å
245	S	83.8	Confident	89.6	Confident	37 Å²	37	57 Å²	57	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-69	-21.6	-179.8	69.3	0	0	0	0	113.4	N160 N241 L242	N160-S245 PolarHBondContact ND2-O 3.21Å; N241-S245 WeakPolarHBondContact O-CB 3.37Å; N241-S245 PolarHBondContact O-N 2.91Å; N241-S245 PolarHBondContact O-OG 3.45Å; L242-S245 PolarHBondContact O-N 3.44Å; L242-S245 PolarHBondContact O-OG 2.77Å; L242-S245 VanDerWaalsContact O-OG 3.1Å
246	Y	88.6	Confident	90.1	Very high	25 Å²	25	48.9 Å²	48.9	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-98.9	-38.4	179.8	-167.8	-103.3	0	0	0	115.3	N160 H201 D202 V220 R221 L224 L242 V243 Q244	N160-Y246 WeakPolarHBondContact ND2-CA 2.99Å; N160-Y246 PolarHBondContact ND2-N 3.19Å; N160-Y246 PolarHBondContact ND2-O 2.97Å; N160-Y246 PolarHBondContact OD1-O 2.95Å; H201-Y246 AromaticContact ND1-CE1 3.99Å; H201-Y246 AromaticContact ND1-CZ 3.73Å; H201-Y246 PolarHBondContact ND1-OH 3.28Å; D202-Y246 HydrophobicContact CB-CE2 4.4Å; D202-Y246 VanDerWaalsContact OD1-CE2 3.29Å; D202-Y246 WeakPolarHBondContact OD1-CE2 3.25Å; D202-Y246 PolarHBondContact OD1-OH 3.07Å; V220-Y246 HydrophobicContact CB-CD2 3.77Å; V220-Y246 HydrophobicContact CB-CE2 4.24Å; V220-Y246 HydrophobicContact CG1-CD2 3.54Å; V220-Y246 HydrophobicContact CG1-CE2 4.41Å; V220-Y246 HydrophobicContact CG1-CG 3.93Å; R221-Y246 HydrophobicContact CB-CE1 4.46Å; R221-Y246 HydrophobicContact CB-CE2 4.17Å; R221-Y246 WeakPolarHBondContact CB-OH 3.34Å; L224-Y246 HydrophobicContact CD1-CD1 3.8Å; L224-Y246 HydrophobicContact CD1-CG 3.74Å; L242-Y246 VanDerWaalsContact O-CB 3.3Å; L242-Y246 WeakPolarHBondContact O-CB 3.15Å; L242-Y246 PolarHBondContact O-N 2.89Å; L242-Y246 VanDerWaalsContact O-N 3.1Å; V243-Y246 PolarHBondContact O-N 3.12Å; Q244-Y246 PolarHBondContact O-N 3.15Å
247	F	90.9	Very high	90.7	Very high	84 Å²	84	50 Å²	50	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-108.6	-15.7	-178.4	-71	-68	0	0	0	114.3	N160 L224 W228 V243 I251	N160-F247 PolarHBondContact ND2-N 3.08Å; L224-F247 HydrophobicContact CD1-CE2 4.32Å; W228-F247 HydrophobicContact CZ3-CE2 4.3Å; V243-F247 HydrophobicContact CG1-CD2 4.08Å; V243-F247 WeakPolarHBondContact O-CB 3.02Å; V243-F247 PolarHBondContact O-N 3.26Å; F247-I251 HydrophobicContact CB-CB 3.76Å; F247-I251 HydrophobicContact CB-CD1 3.77Å; F247-I251 HydrophobicContact CB-CG1 4.34Å; F247-I251 HydrophobicContact CB-CG2 3.72Å; F247-I251 HydrophobicContact CD1-CD1 4.14Å; F247-I251 HydrophobicContact CD2-CG2 4.34Å; F247-I251 HydrophobicContact CG-CD1 4.25Å; F247-I251 HydrophobicContact CG-CG2 4.06Å
248	G	88.9	Confident	91.1	Very high	12 Å²	12	50 Å²	50	12%	0.124	23%	0.234	C	C	.	.			trans	95.3	173.4	-175.4	0	0	0	0	0	112.8	N160 Q244 K250 A252	N160-G248 PolarHBondContact ND2-N 3.46Å; N160-G248 VanDerWaalsContact ND2-N 3.12Å; Q244-G248 WeakPolarHBondContact O-CA 3.29Å; Q244-G248 PolarHBondContact O-N 3.19Å; G248-K250 PolarHBondContact O-N 3.25Å; G248-A252 WeakPolarHBondContact O-CB 3.23Å; G248-A252 PolarHBondContact O-N 3.04Å
249	E	88.6	Confident	91.3	Very high	58 Å²	58	48.1 Å²	48.1	27%	0.271	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-40.4	-170.3	-59.1	78.2	-170.3	0	0	112	Q244 I251 A252 F253 W366 A368	Q244-E249 HydrophobicContact CG-CG 4.19Å; Q244-E249 PolarHBondContact NE2-OE1 2.88Å; Q244-E249 VanDerWaalsContact NE2-OE1 3.12Å; E249-I251 PolarHBondContact O-N 3.38Å; E249-A252 PolarHBondContact O-N 3.5Å; E249-F253 HydrophobicContact CB-CD2 4.37Å; E249-F253 HydrophobicContact CB-CE2 4.44Å; E249-F253 VanDerWaalsContact O-CD2 3.23Å; E249-F253 WeakPolarHBondContact O-CD2 3.4Å; E249-F253 PolarHBondContact O-N 3.18Å; E249-W366 HydrophobicContact CG-CB 4.39Å; E249-A368 HydrophobicContact CG-CB 4.38Å
250	K	89.7	Confident	91.6	Very high	182 Å²	182	49.5 Å²	49.5	79%	0.791	23%	0.234	S	C	*	.	H	α-helix	trans	-57.8	-48.8	-177.7	-69	-171.5	176.9	-173.6	0	112.5	G248 Y254	G248-K250 PolarHBondContact O-N 3.25Å; K250-Y254 PolarHBondContact O-N 3.45Å
251	I	93.3	Very high	91.8	Very high	71 Å²	71	52 Å²	52	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-71.3	-37.5	-179.8	-68	169	0	0	0	110.3	V243 F247 E249 F253 Y254 F255	V243-I251 HydrophobicContact CG1-CG2 4.49Å; F247-I251 HydrophobicContact CB-CB 3.76Å; F247-I251 HydrophobicContact CB-CD1 3.77Å; F247-I251 HydrophobicContact CB-CG1 4.34Å; F247-I251 HydrophobicContact CB-CG2 3.72Å; F247-I251 HydrophobicContact CD1-CD1 4.14Å; F247-I251 HydrophobicContact CD2-CG2 4.34Å; F247-I251 HydrophobicContact CG-CD1 4.25Å; F247-I251 HydrophobicContact CG-CG2 4.06Å; E249-I251 PolarHBondContact O-N 3.38Å; I251-F253 PolarHBondContact O-N 2.87Å; I251-Y254 WeakPolarHBondContact O-CB 3.13Å; I251-Y254 PolarHBondContact O-N 3.08Å; I251-F255 HydrophobicContact CG2-CD2 3.77Å; I251-F255 HydrophobicContact CG2-CE2 3.66Å; I251-F255 VanDerWaalsContact O-CD2 3.31Å; I251-F255 WeakPolarHBondContact O-CD2 3.3Å; I251-F255 PolarHBondContact O-N 2.92Å; I251-F255 VanDerWaalsContact O-N 3.15Å
252	A	93.4	Very high	92.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-38.1	176.6	0	0	0	0	0	113	V243 Q244 G248 E249 F255 A256 W366	V243-A252 HydrophobicContact CG1-CB 4.32Å; Q244-A252 HydrophobicContact CB-CB 3.52Å; Q244-A252 HydrophobicContact CG-CB 4.11Å; G248-A252 WeakPolarHBondContact O-CB 3.23Å; G248-A252 PolarHBondContact O-N 3.04Å; E249-A252 PolarHBondContact O-N 3.5Å; A252-F255 PolarHBondContact O-N 2.63Å; A252-A256 WeakPolarHBondContact O-CB 3.45Å; A252-A256 PolarHBondContact O-N 3.01Å; A252-W366 HydrophobicContact CB-CE3 4.42Å; A252-W366 HydrophobicContact CB-CH2 3.6Å; A252-W366 HydrophobicContact CB-CZ2 4.18Å; A252-W366 HydrophobicContact CB-CZ3 3.75Å
253	F	94.4	Very high	92.5	Very high	44 Å²	44	56.7 Å²	56.7	19%	0.193	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-40.9	173.8	-89.2	-66.5	0	0	0	112.4	E249 I251 A256 W257 E359 L362 A363 W366 A368	E249-F253 HydrophobicContact CB-CD2 4.37Å; E249-F253 HydrophobicContact CB-CE2 4.44Å; E249-F253 VanDerWaalsContact O-CD2 3.23Å; E249-F253 WeakPolarHBondContact O-CD2 3.4Å; E249-F253 PolarHBondContact O-N 3.18Å; I251-F253 PolarHBondContact O-N 2.87Å; F253-A256 PolarHBondContact O-N 2.95Å; F253-W257 WeakPolarHBondContact O-CB 3.41Å; F253-W257 PolarHBondContact O-N 2.97Å; F253-E359 HydrophobicContact CE1-CG 4.09Å; F253-L362 HydrophobicContact CE1-CB 3.93Å; F253-L362 HydrophobicContact CZ-CB 4.35Å; F253-A363 HydrophobicContact CZ-CB 3.96Å; F253-W366 HydrophobicContact CD1-CZ3 4.04Å; F253-W366 HydrophobicContact CD2-CE3 4.12Å; F253-W366 HydrophobicContact CD2-CZ3 4.07Å; F253-W366 HydrophobicContact CE1-CE3 4.28Å; F253-W366 HydrophobicContact CE1-CZ3 4.14Å; F253-W366 AromaticContact CE2-CE3 3.81Å; F253-W366 HydrophobicContact CE2-CE3 3.81Å; F253-W366 HydrophobicContact CE2-CZ3 4.16Å; F253-W366 HydrophobicContact CG-CE3 4.47Å; F253-W366 AromaticContact CG-CZ3 4Å; F253-W366 HydrophobicContact CG-CZ3 4Å; F253-W366 AromaticContact CZ-CE3 3.9Å; F253-W366 HydrophobicContact CZ-CE3 3.9Å; F253-W366 HydrophobicContact CZ-CZ3 4.19Å; F253-A368 HydrophobicContact CE2-CB 3.93Å; F253-A368 HydrophobicContact CZ-CB 4.41Å
254	Y	95.7	Very high	92.7	Very high	130 Å²	130	59.4 Å²	59.4	51%	0.51	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-50.8	174.3	167.3	-98.7	0	0	0	111.8	K250 I251 A256 W257 L258	K250-Y254 PolarHBondContact O-N 3.45Å; I251-Y254 WeakPolarHBondContact O-CB 3.13Å; I251-Y254 PolarHBondContact O-N 3.08Å; Y254-A256 PolarHBondContact O-N 3.4Å; Y254-W257 PolarHBondContact O-N 2.79Å; Y254-L258 HydrophobicContact CE1-CD2 4.34Å; Y254-L258 WeakPolarHBondContact O-CB 3.46Å; Y254-L258 PolarHBondContact O-N 3.06Å
255	F	96	Very high	93	Very high	49 Å²	49	60.8 Å²	60.8	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-31.1	179.6	-75	-66.1	0	0	0	113.4	W228 L240 V243 I251 A252 L258 G259	W228-F255 HydrophobicContact CH2-CD1 4.06Å; W228-F255 AromaticContact CH2-CD2 3.65Å; W228-F255 HydrophobicContact CH2-CD2 3.65Å; W228-F255 AromaticContact CH2-CE1 3.85Å; W228-F255 HydrophobicContact CH2-CE1 3.85Å; W228-F255 AromaticContact CH2-CE2 3.46Å; W228-F255 HydrophobicContact CH2-CE2 3.46Å; W228-F255 VanDerWaalsContact CH2-CE2 3.46Å; W228-F255 AromaticContact CH2-CG 3.95Å; W228-F255 HydrophobicContact CH2-CG 3.95Å; W228-F255 AromaticContact CH2-CZ 3.56Å; W228-F255 HydrophobicContact CH2-CZ 3.56Å; W228-F255 HydrophobicContact CZ2-CB 4.27Å; W228-F255 AromaticContact CZ2-CD1 3.45Å; W228-F255 HydrophobicContact CZ2-CD1 3.45Å; W228-F255 VanDerWaalsContact CZ2-CD1 3.45Å; W228-F255 AromaticContact CZ2-CD2 3.78Å; W228-F255 HydrophobicContact CZ2-CD2 3.78Å; W228-F255 AromaticContact CZ2-CE1 3.54Å; W228-F255 HydrophobicContact CZ2-CE1 3.54Å; W228-F255 AromaticContact CZ2-CE2 3.9Å; W228-F255 HydrophobicContact CZ2-CE2 3.9Å; W228-F255 AromaticContact CZ2-CG 3.55Å; W228-F255 HydrophobicContact CZ2-CG 3.55Å; W228-F255 AromaticContact CZ2-CZ 3.77Å; W228-F255 HydrophobicContact CZ2-CZ 3.77Å; L240-F255 HydrophobicContact CD2-CB 4.48Å; V243-F255 HydrophobicContact CG1-CD2 4.18Å; I251-F255 HydrophobicContact CG2-CD2 3.77Å; I251-F255 HydrophobicContact CG2-CE2 3.66Å; I251-F255 VanDerWaalsContact O-CD2 3.31Å; I251-F255 WeakPolarHBondContact O-CD2 3.3Å; I251-F255 PolarHBondContact O-N 2.92Å; I251-F255 VanDerWaalsContact O-N 3.15Å; A252-F255 PolarHBondContact O-N 2.63Å; F255-L258 HydrophobicContact CD1-CD2 4.27Å; F255-G259 PolarHBondContact O-N 3.47Å
256	A	95.6	Very high	93.4	Very high	6 Å²	6	62.4 Å²	62.4	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-44.2	171.8	0	0	0	0	0	111.5	L240 A252 F253 Y254 Y260 W355 L362 W366	L240-A256 HydrophobicContact CD1-CB 3.9Å; L240-A256 HydrophobicContact CD2-CB 4.03Å; A252-A256 WeakPolarHBondContact O-CB 3.45Å; A252-A256 PolarHBondContact O-N 3.01Å; F253-A256 PolarHBondContact O-N 2.95Å; Y254-A256 PolarHBondContact O-N 3.4Å; A256-Y260 VanDerWaalsContact O-CB 3.24Å; A256-Y260 WeakPolarHBondContact O-CB 3.17Å; A256-Y260 PolarHBondContact O-N 2.75Å; A256-W355 HydrophobicContact CB-CH2 4.31Å; A256-L362 HydrophobicContact CB-CD1 3.63Å; A256-W366 HydrophobicContact CB-CH2 4.23Å
257	W	96.7	Very high	93.6	Very high	98 Å²	98	65.1 Å²	65.1	37%	0.371	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-49.4	175.5	179.2	84.2	0	0	0	111.3	F253 Y254 G259 Y260 Y261 F351 W355	F253-W257 WeakPolarHBondContact O-CB 3.41Å; F253-W257 PolarHBondContact O-N 2.97Å; Y254-W257 PolarHBondContact O-N 2.79Å; W257-G259 PolarHBondContact O-N 3.02Å; W257-Y260 PolarHBondContact O-N 3.5Å; W257-Y261 HydrophobicContact CH2-CD1 4.39Å; W257-Y261 VanDerWaalsContact O-CB 3.29Å; W257-Y261 WeakPolarHBondContact O-CB 3.46Å; W257-Y261 PolarHBondContact O-N 3.05Å; W257-F351 AromaticContact NE1-CZ 3.99Å; W257-W355 VanDerWaalsContact CA-CZ3 3.41Å; W257-W355 HydrophobicContact CB-CH2 3.45Å; W257-W355 VanDerWaalsContact CB-CH2 3.45Å; W257-W355 HydrophobicContact CB-CZ2 3.66Å; W257-W355 HydrophobicContact CB-CZ3 4.04Å; W257-W355 AromaticContact CD1-CD2 3.79Å; W257-W355 AromaticContact CD1-CE2 3.52Å; W257-W355 AromaticContact CD1-CZ2 3.67Å; W257-W355 AromaticContact CD1-NE1 3.94Å; W257-W355 HydrophobicContact CG-CH2 4.2Å; W257-W355 HydrophobicContact CG-CZ2 4.08Å; W257-W355 VanDerWaalsContact N-CH2 3.33Å
258	L	95	Very high	93.8	Very high	57 Å²	57	61.8 Å²	61.8	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-44.7	180	-177.5	63.5	0	0	0	112	Y254 F255 T262	Y254-L258 HydrophobicContact CE1-CD2 4.34Å; Y254-L258 WeakPolarHBondContact O-CB 3.46Å; Y254-L258 PolarHBondContact O-N 3.06Å; F255-L258 HydrophobicContact CD1-CD2 4.27Å; L258-T262 WeakPolarHBondContact O-CB 3.42Å; L258-T262 PolarHBondContact O-N 2.97Å; L258-T262 PolarHBondContact O-OG1 2.85Å
259	G	93.5	Very high	94.1	Very high	19 Å²	19	63.4 Å²	63.4	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-42.1	176.4	0	0	0	0	0	113.1	F255 W257 C263	F255-G259 PolarHBondContact O-N 3.47Å; W257-G259 PolarHBondContact O-N 3.02Å; G259-C263 WeakPolarHBondContact O-CB 3.44Å; G259-C263 PolarHBondContact O-N 3.46Å
260	Y	94.7	Very high	94.5	Very high	41 Å²	41	65.6 Å²	65.6	16%	0.161	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-45.7	177.6	-171.2	-102	0	0	0	112	A256 W257 C263 M264 F351 T354 W355 R358	A256-Y260 VanDerWaalsContact O-CB 3.24Å; A256-Y260 WeakPolarHBondContact O-CB 3.17Å; A256-Y260 PolarHBondContact O-N 2.75Å; W257-Y260 PolarHBondContact O-N 3.5Å; Y260-C263 PolarHBondContact O-N 2.82Å; Y260-M264 HydrophobicContact CD1-CG 4.33Å; Y260-M264 HydrophobicContact CE1-CG 3.86Å; Y260-M264 HydrophobicContact CE2-CE 4.17Å; Y260-M264 HydrophobicContact CE2-CG 4.49Å; Y260-M264 WeakPolarHBondContact O-CB 3.36Å; Y260-M264 PolarHBondContact O-N 3Å; Y260-M264 WeakPolarHBondContact OH-CE 3.33Å; Y260-F351 HydrophobicContact CD1-CD2 4.13Å; Y260-F351 AromaticContact CD1-CE2 3.74Å; Y260-F351 HydrophobicContact CD1-CE2 3.74Å; Y260-F351 AromaticContact CE1-CD2 3.95Å; Y260-F351 HydrophobicContact CE1-CD2 3.95Å; Y260-F351 HydrophobicContact CE1-CE2 4.03Å; Y260-T354 WeakPolarHBondContact OH-CB 3.43Å; Y260-T354 PolarHBondContact OH-OG1 2.65Å; Y260-W355 HydrophobicContact CD1-CB 4.23Å; Y260-W355 HydrophobicContact CD1-CD2 4.42Å; Y260-W355 AromaticContact CD1-CE3 3.56Å; Y260-W355 HydrophobicContact CD1-CE3 3.56Å; Y260-W355 HydrophobicContact CD1-CZ3 4.38Å; Y260-W355 HydrophobicContact CE1-CB 4.01Å; Y260-W355 HydrophobicContact CE1-CE3 4.31Å; Y260-W355 AromaticContact CG-CE3 3.79Å; Y260-W355 HydrophobicContact CG-CE3 3.79Å; Y260-W355 HydrophobicContact CG-CZ3 4.17Å; Y260-R358 HydrophobicContact CD2-CG 4.3Å
261	Y	96	Very high	94.7	Very high	79 Å²	79	59 Å²	59	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-47.5	176.2	-178.8	-120.8	0	0	0	111.7	W257 C263 M264 L265 W347 F351	W257-Y261 HydrophobicContact CH2-CD1 4.39Å; W257-Y261 VanDerWaalsContact O-CB 3.29Å; W257-Y261 WeakPolarHBondContact O-CB 3.46Å; W257-Y261 PolarHBondContact O-N 3.05Å; Y261-C263 PolarHBondContact O-N 3.23Å; Y261-M264 PolarHBondContact O-N 2.84Å; Y261-L265 HydrophobicContact CD1-CD1 3.85Å; Y261-L265 HydrophobicContact CD2-CD1 4.37Å; Y261-L265 HydrophobicContact CD2-CG 4.32Å; Y261-L265 HydrophobicContact CE1-CD1 3.42Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-L265 HydrophobicContact CE1-CG 4.31Å; Y261-L265 HydrophobicContact CE2-CD1 4.02Å; Y261-L265 HydrophobicContact CE2-CD2 4.28Å; Y261-L265 HydrophobicContact CE2-CG 4.03Å; Y261-L265 HydrophobicContact CG-CD1 4.3Å; Y261-L265 WeakPolarHBondContact O-CB 3.16Å; Y261-L265 WeakPolarHBondContact O-CG 3.28Å; Y261-L265 PolarHBondContact O-N 3.06Å; Y261-W347 AromaticContact CE2-CH2 3.92Å; Y261-W347 HydrophobicContact CE2-CH2 3.92Å; Y261-W347 HydrophobicContact CE2-CZ2 4.46Å; Y261-F351 HydrophobicContact CD2-CD2 4.43Å; Y261-F351 HydrophobicContact CD2-CE1 4.16Å; Y261-F351 AromaticContact CD2-CE2 3.69Å; Y261-F351 HydrophobicContact CD2-CE2 3.69Å; Y261-F351 AromaticContact CD2-CZ 3.53Å; Y261-F351 HydrophobicContact CD2-CZ 3.53Å; Y261-F351 HydrophobicContact CE2-CZ 4.36Å; Y261-F351 HydrophobicContact CG-CE2 4.38Å; Y261-F351 HydrophobicContact CG-CZ 4.28Å
262	T	94.4	Very high	94.8	Very high	82 Å²	82	56.9 Å²	56.9	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-44.7	176.9	-54.1	0	0	0	0	111.5	L258 L265 T266	L258-T262 WeakPolarHBondContact O-CB 3.42Å; L258-T262 PolarHBondContact O-N 2.97Å; L258-T262 PolarHBondContact O-OG1 2.85Å; T262-L265 PolarHBondContact O-N 3.43Å; T262-T266 PolarHBondContact O-N 3.28Å
263	C	93.3	Very high	94.9	Very high	81 Å²	81	61.8 Å²	61.8	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-44.1	177	-172.5	0	0	0	0	111.7	G259 Y260 Y261 L265 T266	G259-C263 WeakPolarHBondContact O-CB 3.44Å; G259-C263 PolarHBondContact O-N 3.46Å; Y260-C263 PolarHBondContact O-N 2.82Å; Y261-C263 PolarHBondContact O-N 3.23Å; C263-L265 VanDerWaalsContact C-N 3.34Å; C263-L265 PolarHBondContact O-N 2.96Å; C263-T266 WeakPolarHBondContact O-CB 3.34Å; C263-T266 WeakPolarHBondContact O-CG2 3.15Å; C263-T266 PolarHBondContact O-N 3.15Å; C263-T266 PolarHBondContact O-OG1 3.24Å
264	M	94.9	Very high	94.9	Very high	57 Å²	57	64.9 Å²	64.9	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-31.7	179.1	-80	-65	170.7	0	0	112.6	Y260 Y261 T266 P268 W347 F351	Y260-M264 HydrophobicContact CD1-CG 4.33Å; Y260-M264 HydrophobicContact CE1-CG 3.86Å; Y260-M264 HydrophobicContact CE2-CE 4.17Å; Y260-M264 HydrophobicContact CE2-CG 4.49Å; Y260-M264 WeakPolarHBondContact O-CB 3.36Å; Y260-M264 PolarHBondContact O-N 3Å; Y260-M264 WeakPolarHBondContact OH-CE 3.33Å; Y261-M264 PolarHBondContact O-N 2.84Å; M264-T266 PolarHBondContact O-N 3.49Å; M264-P268 WeakPolarHBondContact O-CD 3.42Å; M264-W347 HydrophobicContact CB-CZ2 4.33Å; M264-W347 PolarHBondContact O-NE1 3.49Å; M264-F351 HydrophobicContact CB-CD2 3.97Å; M264-F351 HydrophobicContact CG-CD2 4.14Å
265	L	95.5	Very high	94.8	Very high	65 Å²	65	59.6 Å²	59.6	34%	0.34	34%	0.337	S	S	.	.	H	α-helix	trans	-66.9	-19.7	174.7	-81	175	0	0	0	113.8	Y261 T262 C263 V267 P268 G269 W347	Y261-L265 HydrophobicContact CD1-CD1 3.85Å; Y261-L265 HydrophobicContact CD2-CD1 4.37Å; Y261-L265 HydrophobicContact CD2-CG 4.32Å; Y261-L265 HydrophobicContact CE1-CD1 3.42Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-L265 HydrophobicContact CE1-CG 4.31Å; Y261-L265 HydrophobicContact CE2-CD1 4.02Å; Y261-L265 HydrophobicContact CE2-CD2 4.28Å; Y261-L265 HydrophobicContact CE2-CG 4.03Å; Y261-L265 HydrophobicContact CG-CD1 4.3Å; Y261-L265 WeakPolarHBondContact O-CB 3.16Å; Y261-L265 WeakPolarHBondContact O-CG 3.28Å; Y261-L265 PolarHBondContact O-N 3.06Å; T262-L265 PolarHBondContact O-N 3.43Å; C263-L265 VanDerWaalsContact C-N 3.34Å; C263-L265 PolarHBondContact O-N 2.96Å; L265-V267 PolarHBondContact O-N 3.41Å; L265-P268 HydrophobicContact CD2-CG 4.41Å; L265-P268 VanDerWaalsContact O-CD 3.31Å; L265-P268 WeakPolarHBondContact O-CD 3.18Å; L265-P268 WeakPolarHBondContact O-CG 3.48Å; L265-G269 PolarHBondContact O-N 3.42Å; L265-W347 HydrophobicContact CD2-CH2 3.65Å; L265-W347 HydrophobicContact CD2-CZ2 3.63Å; L265-W347 HydrophobicContact CG-CH2 4.34Å; L265-W347 HydrophobicContact CG-CZ2 4.03Å
266	T	93.2	Very high	94.6	Very high	71 Å²	71	61.1 Å²	61.1	44%	0.436	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-37.7	178	63	0	0	0	0	112.4	T262 C263 M264 G269 I270	T262-T266 PolarHBondContact O-N 3.28Å; C263-T266 WeakPolarHBondContact O-CB 3.34Å; C263-T266 WeakPolarHBondContact O-CG2 3.15Å; C263-T266 PolarHBondContact O-N 3.15Å; C263-T266 PolarHBondContact O-OG1 3.24Å; M264-T266 PolarHBondContact O-N 3.49Å; T266-G269 PolarHBondContact O-N 2.85Å; T266-I270 WeakPolarHBondContact O-CB 3.36Å; T266-I270 VanDerWaalsContact O-CG1 3.24Å; T266-I270 WeakPolarHBondContact O-CG1 3.22Å; T266-I270 PolarHBondContact O-N 2.84Å
267	V	92.6	Very high	94.5	Very high	81 Å²	81	65.4 Å²	65.4	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-60.2	-179.5	178	0	0	0	0	111.8	L265 G269 I270 V271	L265-V267 PolarHBondContact O-N 3.41Å; V267-G269 PolarHBondContact O-N 3.28Å; V267-I270 PolarHBondContact O-N 2.9Å; V267-V271 WeakPolarHBondContact O-CG2 3.23Å; V267-V271 PolarHBondContact O-N 3.15Å
268	P	95.5	Very high	94.3	Very high	14 Å²	14	67.6 Å²	67.6	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-64.1	-29.6	176.1	26	-34.3	0	0	0	112.4	M264 L265 G272 M340 W347	M264-P268 WeakPolarHBondContact O-CD 3.42Å; L265-P268 HydrophobicContact CD2-CG 4.41Å; L265-P268 VanDerWaalsContact O-CD 3.31Å; L265-P268 WeakPolarHBondContact O-CD 3.18Å; L265-P268 WeakPolarHBondContact O-CG 3.48Å; P268-G272 WeakPolarHBondContact O-CA 3.25Å; P268-G272 PolarHBondContact O-N 3.3Å; P268-M340 HydrophobicContact CB-CE 3.59Å; P268-M340 WeakPolarHBondContact O-CE 3.38Å; P268-W347 HydrophobicContact CG-CD2 4.14Å; P268-W347 HydrophobicContact CG-CG 4.24Å; P268-W347 HydrophobicContact CG-CZ2 4.37Å
269	G	95.2	Very high	94.2	Very high	46 Å²	46	65.1 Å²	65.1	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-47.8	174.9	0	0	0	0	0	112.9	L265 T266 V267 L273	L265-G269 PolarHBondContact O-N 3.42Å; T266-G269 PolarHBondContact O-N 2.85Å; V267-G269 PolarHBondContact O-N 3.28Å; G269-L273 WeakPolarHBondContact O-CB 3.47Å; G269-L273 PolarHBondContact O-N 2.8Å
270	I	95.8	Very high	94.1	Very high	104 Å²	104	67.1 Å²	67.1	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-48.4	177.7	-67.6	165.3	0	0	0	110.6	T266 V267 G272 L273 L274	T266-I270 WeakPolarHBondContact O-CB 3.36Å; T266-I270 VanDerWaalsContact O-CG1 3.24Å; T266-I270 WeakPolarHBondContact O-CG1 3.22Å; T266-I270 PolarHBondContact O-N 2.84Å; V267-I270 PolarHBondContact O-N 2.9Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.06Å; I270-L273 PolarHBondContact O-N 3.13Å; I270-L274 HydrophobicContact CG2-CD1 4.03Å; I270-L274 HydrophobicContact CG2-CG 4.45Å; I270-L274 WeakPolarHBondContact O-CG 3.31Å; I270-L274 PolarHBondContact O-N 3.38Å
271	V	95	Very high	93.9	Very high	43 Å²	43	68.7 Å²	68.7	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-44.8	-179.9	175.7	0	0	0	0	110.7	V267 L273 L274 C275 M340 I343	V267-V271 WeakPolarHBondContact O-CG2 3.23Å; V267-V271 PolarHBondContact O-N 3.15Å; V271-L273 PolarHBondContact O-N 3.11Å; V271-L274 PolarHBondContact O-N 2.83Å; V271-C275 WeakPolarHBondContact O-CB 3.23Å; V271-C275 PolarHBondContact O-N 3.19Å; V271-C275 PolarHBondContact O-SG 2.99Å; V271-C275 VanDerWaalsContact O-SG 3.34Å; V271-M340 HydrophobicContact CB-SD 4.35Å; V271-M340 HydrophobicContact CG1-SD 3.87Å; V271-I343 HydrophobicContact CG1-CD1 3.9Å
272	G	94.5	Very high	93.6	Very high	27 Å²	27	68.3 Å²	68.3	28%	0.278	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-41.7	177	0	0	0	0	0	112.7	P268 I270 C275 F276	P268-G272 WeakPolarHBondContact O-CA 3.25Å; P268-G272 PolarHBondContact O-N 3.3Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.06Å; G272-C275 PolarHBondContact O-N 3.3Å; G272-F276 WeakPolarHBondContact O-CB 3.31Å; G272-F276 PolarHBondContact O-N 3.39Å
273	L	94.7	Very high	93.4	Very high	104 Å²	104	66.4 Å²	66.4	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-43.3	175.1	-179.3	63	0	0	0	111.8	G269 I270 V271 F276 I277	G269-L273 WeakPolarHBondContact O-CB 3.47Å; G269-L273 PolarHBondContact O-N 2.8Å; I270-L273 PolarHBondContact O-N 3.13Å; V271-L273 PolarHBondContact O-N 3.11Å; L273-F276 PolarHBondContact O-N 3.35Å; L273-I277 HydrophobicContact CD1-CD1 4.14Å; L273-I277 HydrophobicContact CD1-CG1 4.43Å; L273-I277 HydrophobicContact CG-CD1 3.99Å; L273-I277 VanDerWaalsContact O-CG1 3.3Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 2.62Å
274	L	94.5	Very high	92.9	Very high	108 Å²	108	67.9 Å²	67.9	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-64.6	-43.1	176.9	-68.8	174.2	0	0	0	111.8	I270 V271 F276 I277 Y278	I270-L274 HydrophobicContact CG2-CD1 4.03Å; I270-L274 HydrophobicContact CG2-CG 4.45Å; I270-L274 WeakPolarHBondContact O-CG 3.31Å; I270-L274 PolarHBondContact O-N 3.38Å; V271-L274 PolarHBondContact O-N 2.83Å; L274-F276 VanDerWaalsContact C-N 3.35Å; L274-I277 PolarHBondContact O-N 3.28Å; L274-Y278 WeakPolarHBondContact O-CB 3.32Å; L274-Y278 PolarHBondContact O-N 3.13Å
275	C	93.6	Very high	92.5	Very high	20 Å²	20	68.7 Å²	68.7	14%	0.135	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-44	174.1	-72.3	0	0	0	0	111.5	V271 G272 Y278 T279 A336	V271-C275 WeakPolarHBondContact O-CB 3.23Å; V271-C275 PolarHBondContact O-N 3.19Å; V271-C275 PolarHBondContact O-SG 2.99Å; V271-C275 VanDerWaalsContact O-SG 3.34Å; G272-C275 PolarHBondContact O-N 3.3Å; C275-Y278 WeakPolarHBondContact O-CB 3.48Å; C275-Y278 PolarHBondContact O-N 3.22Å; C275-T279 VanDerWaalsContact O-CG2 3.3Å; C275-T279 WeakPolarHBondContact O-CG2 3.38Å; C275-T279 PolarHBondContact O-N 3.07Å; C275-T279 PolarHBondContact O-OG1 3.05Å; C275-A336 HydrophobicContact CB-CB 4.16Å
276	F	92.6	Very high	92	Very high	80 Å²	80	66.1 Å²	66.1	35%	0.351	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-43.8	177.8	-178.1	-97.5	0	0	0	112.6	G272 L273 L274 Y278 T279 M280 W328 T331 F332	G272-F276 WeakPolarHBondContact O-CB 3.31Å; G272-F276 PolarHBondContact O-N 3.39Å; L273-F276 PolarHBondContact O-N 3.35Å; L274-F276 VanDerWaalsContact C-N 3.35Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 PolarHBondContact O-N 3.05Å; F276-T279 PolarHBondContact O-N 3.26Å; F276-T279 PolarHBondContact O-OG1 3.4Å; F276-M280 HydrophobicContact CD1-CG 4.16Å; F276-M280 HydrophobicContact CE1-CG 3.81Å; F276-M280 HydrophobicContact CE1-SD 4.23Å; F276-M280 HydrophobicContact CE2-CG 4.37Å; F276-M280 HydrophobicContact CE2-SD 4.46Å; F276-M280 HydrophobicContact CZ-CG 3.93Å; F276-M280 HydrophobicContact CZ-SD 3.88Å; F276-M280 WeakPolarHBondContact O-CB 3.31Å; F276-M280 WeakPolarHBondContact O-CG 3.39Å; F276-M280 PolarHBondContact O-N 3.4Å; F276-W328 HydrophobicContact CZ-CZ3 4.39Å; F276-T331 HydrophobicContact CD2-CG2 3.93Å; F276-T331 HydrophobicContact CE2-CG2 3.62Å; F276-T331 HydrophobicContact CZ-CG2 4.45Å; F276-F332 HydrophobicContact CE2-CE1 4.37Å
277	I	93.6	Very high	91.5	Very high	97 Å²	97	68.6 Å²	68.6	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-40.6	176	-67.8	166.2	0	0	0	110.7	L273 L274 M280 S281	L273-I277 HydrophobicContact CD1-CD1 4.14Å; L273-I277 HydrophobicContact CD1-CG1 4.43Å; L273-I277 HydrophobicContact CG-CD1 3.99Å; L273-I277 VanDerWaalsContact O-CG1 3.3Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 2.62Å; L274-I277 PolarHBondContact O-N 3.28Å; I277-M280 PolarHBondContact O-N 3.24Å; I277-S281 PolarHBondContact O-N 3.38Å
278	Y	92.6	Very high	91	Very high	143 Å²	143	69.8 Å²	69.8	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-63.8	-42	177.1	173.5	-101.3	0	0	0	112.7	L274 C275 F276 M280 S281 Q282 A336	L274-Y278 WeakPolarHBondContact O-CB 3.32Å; L274-Y278 PolarHBondContact O-N 3.13Å; C275-Y278 WeakPolarHBondContact O-CB 3.48Å; C275-Y278 PolarHBondContact O-N 3.22Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 PolarHBondContact O-N 3.05Å; Y278-M280 VanDerWaalsContact C-N 3.35Å; Y278-S281 PolarHBondContact O-N 2.95Å; Y278-S281 PolarHBondContact O-OG 3.24Å; Y278-Q282 PolarHBondContact O-N 2.92Å; Y278-A336 HydrophobicContact CD1-CB 4.35Å
279	T	92.3	Very high	90.6	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-70.1	-35.6	178.5	56.1	0	0	0	0	111.7	C275 F276 Q282 L283 S334 A336	C275-T279 VanDerWaalsContact O-CG2 3.3Å; C275-T279 WeakPolarHBondContact O-CG2 3.38Å; C275-T279 PolarHBondContact O-N 3.07Å; C275-T279 PolarHBondContact O-OG1 3.05Å; F276-T279 PolarHBondContact O-N 3.26Å; F276-T279 PolarHBondContact O-OG1 3.4Å; T279-Q282 PolarHBondContact O-N 3.47Å; T279-L283 PolarHBondContact O-N 3.09Å; T279-S334 VanDerWaalsContact CG2-CB 3.41Å; T279-S334 WeakPolarHBondContact CG2-OG 3.41Å; T279-A336 HydrophobicContact CG2-CB 3.9Å
280	M	91.6	Very high	90	Very high	62 Å²	62	72.3 Å²	72.3	31%	0.305	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-37.7	174.4	-68.7	-84.1	73.9	0	0	112.9	F276 I277 Y278 Q282 L283 T331	F276-M280 HydrophobicContact CD1-CG 4.16Å; F276-M280 HydrophobicContact CE1-CG 3.81Å; F276-M280 HydrophobicContact CE1-SD 4.23Å; F276-M280 HydrophobicContact CE2-CG 4.37Å; F276-M280 HydrophobicContact CE2-SD 4.46Å; F276-M280 HydrophobicContact CZ-CG 3.93Å; F276-M280 HydrophobicContact CZ-SD 3.88Å; F276-M280 WeakPolarHBondContact O-CB 3.31Å; F276-M280 WeakPolarHBondContact O-CG 3.39Å; F276-M280 PolarHBondContact O-N 3.4Å; I277-M280 PolarHBondContact O-N 3.24Å; Y278-M280 VanDerWaalsContact C-N 3.35Å; M280-Q282 VanDerWaalsContact C-N 3.29Å; M280-Q282 PolarHBondContact O-N 3.39Å; M280-L283 HydrophobicContact CE-CD1 4.3Å; M280-L283 HydrophobicContact CE-CD2 4.2Å; M280-L283 VanDerWaalsContact O-CB 3.29Å; M280-L283 WeakPolarHBondContact O-CB 3.45Å; M280-L283 PolarHBondContact O-N 2.91Å; M280-T331 HydrophobicContact CE-CG2 3.45Å; M280-T331 VanDerWaalsContact CE-CG2 3.45Å; M280-T331 WeakPolarHBondContact CE-OG1 3.47Å; M280-T331 HydrophobicContact CG-CG2 4.27Å; M280-T331 HydrophobicContact SD-CG2 4.15Å
281	S	91.2	Very high	89.4	Confident	73 Å²	73	71.9 Å²	71.9	51%	0.51	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-28.8	176.3	68.5	0	0	0	0	112.7	I277 Y278 L283	I277-S281 PolarHBondContact O-N 3.38Å; Y278-S281 PolarHBondContact O-N 2.95Å; Y278-S281 PolarHBondContact O-OG 3.24Å; S281-L283 VanDerWaalsContact C-N 3.3Å; S281-L283 PolarHBondContact O-N 2.85Å
282	Q	90.1	Very high	88.9	Confident	71 Å²	71	70.5 Å²	70.5	33%	0.332	38%	0.376	S	S	.	.	H	α-helix	trans	-76.1	-15.1	177.9	-164.7	62	29.2	0	0	113.6	Y278 T279 M280 S284 S285 Y330	Y278-Q282 PolarHBondContact O-N 2.92Å; T279-Q282 PolarHBondContact O-N 3.47Å; M280-Q282 VanDerWaalsContact C-N 3.29Å; M280-Q282 PolarHBondContact O-N 3.39Å; Q282-S284 PolarHBondContact O-N 3.18Å; Q282-S285 PolarHBondContact O-N 2.93Å; Q282-Y330 WeakPolarHBondContact CG-OH 3.33Å
283	L	88.3	Confident	88.4	Confident	43 Å²	43	70.8 Å²	70.8	23%	0.225	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-55.6	-38.1	-174.9	-161.4	77.2	0	0	0	113	T279 M280 S281 S285 L289 K327 Y330	T279-L283 PolarHBondContact O-N 3.09Å; M280-L283 HydrophobicContact CE-CD1 4.3Å; M280-L283 HydrophobicContact CE-CD2 4.2Å; M280-L283 VanDerWaalsContact O-CB 3.29Å; M280-L283 WeakPolarHBondContact O-CB 3.45Å; M280-L283 PolarHBondContact O-N 2.91Å; S281-L283 VanDerWaalsContact C-N 3.3Å; S281-L283 PolarHBondContact O-N 2.85Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.11Å; L283-L289 HydrophobicContact CD1-CD1 3.26Å; L283-L289 HydrophobicContact CG-CD1 3.72Å; L283-K327 HydrophobicContact CD1-CB 4.21Å; L283-K327 HydrophobicContact CD1-CG 4.41Å; L283-K327 HydrophobicContact CD2-CB 4.26Å; L283-K327 HydrophobicContact CD2-CD 4.27Å; L283-K327 HydrophobicContact CD2-CG 4.15Å; L283-Y330 HydrophobicContact CD1-CD1 3.69Å; L283-Y330 HydrophobicContact CD1-CE1 4.44Å; L283-Y330 HydrophobicContact CD1-CG 4.4Å
284	S	83.6	Confident	87.7	Confident	111 Å²	111	66.6 Å²	66.6	78%	0.776	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.6	-179.1	64.5	0	0	0	0	114.5	Q282	Q282-S284 PolarHBondContact O-N 3.18Å
285	S	85.9	Confident	86.3	Confident	75 Å²	75	67.8 Å²	67.8	52%	0.524	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-107	12.3	-173.3	-52.9	0	0	0	0	112.8	Q282 L283	Q282-S285 PolarHBondContact O-N 2.93Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.11Å
286	S	84.7	Confident	84.9	Confident	11 Å²	11	74 Å²	74	8%	0.077	39%	0.388	C	S	.	.			trans	-91.5	112.1	-174.1	179.3	0	0	0	0	111.5	H288 L289 E290 Y330	S286-H288 PolarHBondContact O-N 2.6Å; S286-L289 PolarHBondContact O-N 3.44Å; S286-L289 VanDerWaalsContact O-N 3.11Å; S286-L289 PolarHBondContact OG-N 3.42Å; S286-E290 PolarHBondContact O-N 2.94Å; S286-Y330 WeakPolarHBondContact OG-CE2 3.3Å
287	D	83.5	Confident	83.2	Confident	123 Å²	123	78.7 Å²	78.7	66%	0.658	41%	0.408	S	S	*	.	H	α-helix	trans	-54.8	-35.3	174.5	-59.6	-16	0	0	0	112.1	E290 Q291	D287-E290 PolarHBondContact O-N 2.92Å; D287-Q291 WeakPolarHBondContact O-CG 3.4Å; D287-Q291 PolarHBondContact O-N 3.32Å
288	H	82.4	Confident	81.6	Confident	106 Å²	106	75.4 Å²	75.4	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-41.5	179.7	-176	56.7	0	0	0	112.1	S286 Q291 I292	S286-H288 PolarHBondContact O-N 2.6Å; H288-Q291 PolarHBondContact O-N 3.5Å; H288-I292 PolarHBondContact O-N 2.89Å
289	L	86.1	Confident	80.3	Confident	8 Å²	8	73.2 Å²	73.2	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-72	-33.2	176.6	-69.6	173.3	0	0	0	111.3	L283 S286 Q291 I292 C293 A326 K327 Y330	L283-L289 HydrophobicContact CD1-CD1 3.26Å; L283-L289 HydrophobicContact CG-CD1 3.72Å; S286-L289 PolarHBondContact O-N 3.44Å; S286-L289 VanDerWaalsContact O-N 3.11Å; S286-L289 PolarHBondContact OG-N 3.42Å; L289-Q291 VanDerWaalsContact C-N 3.27Å; L289-Q291 PolarHBondContact O-N 3.39Å; L289-I292 PolarHBondContact O-N 3.47Å; L289-C293 WeakPolarHBondContact O-CB 3.27Å; L289-C293 PolarHBondContact O-N 3.23Å; L289-A326 HydrophobicContact CD2-CB 4.03Å; L289-K327 HydrophobicContact CD2-CG 4.28Å; L289-Y330 HydrophobicContact CD1-CD1 3.89Å; L289-Y330 HydrophobicContact CD1-CD2 4.29Å; L289-Y330 HydrophobicContact CD1-CE1 4.48Å; L289-Y330 HydrophobicContact CD1-CG 3.78Å; L289-Y330 HydrophobicContact CG-CD2 4.37Å; L289-Y330 HydrophobicContact CG-CG 4.23Å
290	E	82.9	Confident	79.2	Confident	104 Å²	104	79.2 Å²	79.2	49%	0.486	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-36.3	174	-169.1	172.9	-172.9	0	0	111.7	S286 D287 I292 S294	S286-E290 PolarHBondContact O-N 2.94Å; D287-E290 PolarHBondContact O-N 2.92Å; E290-I292 PolarHBondContact O-N 3.36Å; E290-S294 WeakPolarHBondContact O-CB 3.43Å; E290-S294 PolarHBondContact O-N 3.32Å; E290-S294 PolarHBondContact O-OG 3.5Å
291	Q	83	Confident	78.1	Confident	95 Å²	95	76.4 Å²	76.4	44%	0.444	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-34.7	176.3	-70.4	172.4	6.6	0	0	113.6	D287 H288 L289 S298	D287-Q291 WeakPolarHBondContact O-CG 3.4Å; D287-Q291 PolarHBondContact O-N 3.32Å; H288-Q291 PolarHBondContact O-N 3.5Å; L289-Q291 VanDerWaalsContact C-N 3.27Å; L289-Q291 PolarHBondContact O-N 3.39Å; Q291-S298 PolarHBondContact O-OG 3.32Å
292	I	84.4	Confident	77.4	Confident	14 Å²	14	77.6 Å²	77.6	7%	0.072	41%	0.413	C	S	.	.	H	α-helix	trans	-87.2	-40.7	-177.7	-62.2	171.7	0	0	0	111.1	H288 L289 E290 L319 C323 A326	H288-I292 PolarHBondContact O-N 2.89Å; L289-I292 PolarHBondContact O-N 3.47Å; E290-I292 PolarHBondContact O-N 3.36Å; I292-L319 HydrophobicContact CG2-CG 4.35Å; I292-C323 HydrophobicContact CG2-CB 4.5Å; I292-A326 HydrophobicContact CD1-CB 3.85Å; I292-A326 HydrophobicContact CG2-CB 4.04Å
293	C	84.8	Confident	77	Confident	34 Å²	34	77.5 Å²	77.5	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-101.8	-4.9	-168.3	-64.6	0	0	0	0	114.9	L289 H295 C323	L289-C293 WeakPolarHBondContact O-CB 3.27Å; L289-C293 PolarHBondContact O-N 3.23Å; C293-H295 PolarHBondContact O-N 3.29Å; C293-C323 HydrophobicContact CB-CB 4Å; C293-C323 WeakPolarHBondContact CB-SG 3.25Å; C293-C323 VanDerWaalsContact SG-CA 3.57Å; C293-C323 WeakPolarHBondContact SG-CB 3.44Å; C293-C323 CovalentContact SG-SG 2.03Å; C293-C323 PolarHBondContact SG-SG 2.96Å
294	S	79.5	Confident	76.9	Confident	16 Å²	16	79.9 Å²	79.9	11%	0.112	43%	0.43	C	S	.	.			trans	-78.6	111.6	-177.6	61	0	0	0	0	112.3	E290 N296 S298 S301	E290-S294 WeakPolarHBondContact O-CB 3.43Å; E290-S294 PolarHBondContact O-N 3.32Å; E290-S294 PolarHBondContact O-OG 3.5Å; S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.43Å; S294-S298 WeakPolarHBondContact OG-CB 3.13Å; S294-S298 PolarHBondContact OG-OG 2.74Å; S294-S301 WeakPolarHBondContact O-CB 3.39Å; S294-S301 PolarHBondContact O-OG 2.99Å
295	H	65.4	Low	76.8	Confident	132 Å²	132	77.1 Å²	77.1	61%	0.611	41%	0.406	S	S	*	.	S	Bend	trans	-67.3	-19.7	179.9	-162.6	-64.5	0	0	0	113.9	C293 E320	C293-H295 PolarHBondContact O-N 3.29Å; H295-E320 IonicContact CD2-OE1 3.54Å; H295-E320 PolarHBondContact CD2-OE1 3.01Å; H295-E320 IonicContact CG-OE1 3.05Å; H295-E320 IonicContact NE2-OE1 3.39Å
296	N	64.7	Low	76.4	Confident	151 Å²	151	77.4 Å²	77.4	81%	0.807	41%	0.407	S	S	*	.	S	Bend	trans	-142.4	3.8	-167	-85.2	-22.8	0	0	0	116.8	S294	S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.43Å
297	K	56.5	Low	75.8	Confident	179 Å²	179	79.1 Å²	79.1	78%	0.778	42%	0.418	S	S	*	.	S	Bend	trans	-129.5	-1.6	-171	-78.6	-171.7	179.2	179	0	116.3
298	S	59.5	Low	75	Confident	28 Å²	28	74.4 Å²	74.4	20%	0.196	39%	0.393	C	S	.	.			trans	-138.4	138.1	-179.1	75.6	0	0	0	0	110.9	Q291 S294 Y300 S301	Q291-S298 PolarHBondContact O-OG 3.32Å; S294-S298 WeakPolarHBondContact OG-CB 3.13Å; S294-S298 PolarHBondContact OG-OG 2.74Å; S298-Y300 PolarHBondContact O-N 2.95Å; S298-S301 PolarHBondContact O-OG 3.4Å
299	S	65.7	Low	74.3	Confident	97 Å²	97	69.9 Å²	69.9	68%	0.678	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-4.7	174.2	-172.2	0	0	0	0	113	T302	S299-T302 PolarHBondContact O-OG1 3.29Å
300	Y	70.3	Confident	73.2	Confident	131 Å²	131	74 Å²	74	51%	0.514	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-31.9	-170.2	-61.7	-82.1	0	0	0	113.1	S298 T302 I303	S298-Y300 PolarHBondContact O-N 2.95Å; Y300-T302 VanDerWaalsContact C-N 3.25Å; Y300-T302 PolarHBondContact O-N 2.83Å; Y300-I303 HydrophobicContact CD1-CD1 3.61Å; Y300-I303 HydrophobicContact CG-CD1 4.26Å; Y300-I303 VanDerWaalsContact O-CB 3.22Å; Y300-I303 WeakPolarHBondContact O-CB 3.42Å; Y300-I303 VanDerWaalsContact O-CG1 3.24Å; Y300-I303 WeakPolarHBondContact O-CG1 3.4Å; Y300-I303 PolarHBondContact O-N 2.77Å
301	S	67.1	Low	72.2	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.021	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.6	179.6	55.1	0	0	0	0	113.1	S294 S298 I303	S294-S301 WeakPolarHBondContact O-CB 3.39Å; S294-S301 PolarHBondContact O-OG 2.99Å; S298-S301 PolarHBondContact O-OG 3.4Å; S301-I303 VanDerWaalsContact C-N 3.27Å; S301-I303 PolarHBondContact O-N 3.21Å
302	T	76.6	Confident	71.2	Confident	97 Å²	97	78 Å²	78	60%	0.595	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	3.5	174	56.7	0	0	0	0	113.7	S299 Y300 T304	S299-T302 PolarHBondContact O-OG1 3.29Å; Y300-T302 VanDerWaalsContact C-N 3.25Å; Y300-T302 PolarHBondContact O-N 2.83Å; T302-T304 PolarHBondContact O-N 3.1Å
303	I	83.1	Confident	70.2	Confident	69 Å²	69	83.9 Å²	83.9	35%	0.354	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.1	122.9	176.6	-70.9	171.9	0	0	0	108.8	Y300 S301 M305 L319	Y300-I303 HydrophobicContact CD1-CD1 3.61Å; Y300-I303 HydrophobicContact CG-CD1 4.26Å; Y300-I303 VanDerWaalsContact O-CB 3.22Å; Y300-I303 WeakPolarHBondContact O-CB 3.42Å; Y300-I303 VanDerWaalsContact O-CG1 3.24Å; Y300-I303 WeakPolarHBondContact O-CG1 3.4Å; Y300-I303 PolarHBondContact O-N 2.77Å; S301-I303 VanDerWaalsContact C-N 3.27Å; S301-I303 PolarHBondContact O-N 3.21Å; I303-M305 HydrophobicContact CG2-SD 4.25Å; I303-L319 PolarHBondContact O-N 2.96Å
304	T	84.2	Confident	69.3	Low	93 Å²	93	83.4 Å²	83.4	57%	0.571	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	119	178.4	-56.1	0	0	0	0	108.9	T302 P316	T302-T304 PolarHBondContact O-N 3.1Å; T304-P316 HydrophobicContact CG2-CB 3.41Å; T304-P316 VanDerWaalsContact CG2-CB 3.41Å; T304-P316 HydrophobicContact CG2-CG 4.14Å
305	M	82.2	Confident	68.9	Low	53 Å²	53	85 Å²	85	26%	0.261	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.8	-179.5	-63.2	-61.3	-70.9	0	0	110.8	I303 W317 L319 P519	I303-M305 HydrophobicContact CG2-SD 4.25Å; M305-W317 HydrophobicContact CB-CD2 3.85Å; M305-W317 VanDerWaalsContact CB-CE2 3.41Å; M305-W317 HydrophobicContact CB-CE3 4.29Å; M305-W317 HydrophobicContact CB-CG 4.39Å; M305-W317 HydrophobicContact CB-CH2 3.96Å; M305-W317 HydrophobicContact CB-CZ2 3.49Å; M305-W317 VanDerWaalsContact CB-CZ2 3.49Å; M305-W317 HydrophobicContact CB-CZ3 4.34Å; M305-W317 HydrophobicContact CE-CH2 4.41Å; M305-W317 HydrophobicContact CE-CZ2 4.43Å; M305-W317 HydrophobicContact CG-CD2 4.27Å; M305-W317 HydrophobicContact CG-CE3 4.2Å; M305-W317 HydrophobicContact CG-CH2 3.7Å; M305-W317 HydrophobicContact CG-CZ2 3.79Å; M305-W317 HydrophobicContact CG-CZ3 3.91Å; M305-W317 PolarHBondContact N-O 3.46Å; M305-L319 HydrophobicContact CG-CB 4.45Å; M305-L319 HydrophobicContact SD-CD1 4.26Å; M305-P519 HydrophobicContact CE-CB 4.01Å
306	C	78.1	Confident	69.4	Low	82 Å²	82	82.6 Å²	82.6	55%	0.554	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-62.3	140.9	174.3	-67.9	0	0	0	0	110.1	W317	C306-W317 PolarHBondContact O-NE1 2.78Å
307	P	72.5	Confident	70.1	Confident	46 Å²	46	77 Å²	77	30%	0.299	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.9	144	172.3	25	-31.6	0	0	0	111.2	C309 C314	P307-C309 PolarHBondContact O-N 3.39Å; P307-C314 HydrophobicContact CB-CB 3.51Å; P307-C314 HydrophobicContact CG-CB 4.16Å
308	V	66.8	Low	71.3	Confident	24 Å²	24	70.8 Å²	70.8	15%	0.145	41%	0.41	C	S	.	.	S	Bend	trans	-89.2	23.3	-173.3	-168.9	0	0	0	0	111.8	F432 F516	V308-F432 HydrophobicContact CG2-CZ 4.36Å; V308-F516 HydrophobicContact CB-CD2 4.44Å; V308-F516 HydrophobicContact CG1-CB 3.72Å; V308-F516 HydrophobicContact CG1-CD2 3.07Å; V308-F516 HydrophobicContact CG1-CE2 3.74Å; V308-F516 HydrophobicContact CG1-CG 3.52Å
309	C	67.6	Low	72.5	Confident	12 Å²	12	70.7 Å²	70.7	8%	0.081	41%	0.407	C	S	.	.	S	Bend	trans	-158.2	160.2	-160.6	50.5	0	0	0	0	111.8	P307 C314 R421 L513	P307-C309 PolarHBondContact O-N 3.39Å; C309-C314 HydrophobicContact CB-CB 4.49Å; C309-C314 WeakPolarHBondContact CB-SG 3.41Å; C309-C314 WeakPolarHBondContact SG-CB 3.4Å; C309-C314 CovalentContact SG-SG 2Å; C309-C314 PolarHBondContact SG-SG 2.96Å; C309-R421 VanDerWaalsContact CB-NH1 3.34Å; C309-R421 PolarHBondContact SG-NH1 2.94Å; C309-R421 PolarHBondContact SG-NH2 3.01Å; C309-L513 HydrophobicContact CB-CD1 4.46Å
310	V	63.1	Low	73.2	Confident	93 Å²	93	69 Å²	69	56%	0.564	39%	0.389	S	S	*	.			trans	-64.8	133.7	178.5	-176.3	0	0	0	0	109.9	E312 C314	V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 PolarHBondContact O-N 2.97Å; V310-C314 PolarHBondContact O-SG 3.1Å
311	P	60.4	Low	73.7	Confident	107 Å²	107	68.1 Å²	68.1	70%	0.695	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65.6	-8.8	-149.3	18.3	-33.3	0	0	0	119	N313	P311-N313 VanDerWaalsContact C-N 3.33Å; P311-N313 PolarHBondContact O-N 3.26Å
312	E	63.5	Low	74.4	Confident	177 Å²	177	68.3 Å²	68.3	83%	0.827	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-69.8	-23.6	-166.2	-70.3	-174.2	168.9	0	0	114.8	V310	V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 PolarHBondContact O-N 2.97Å
313	N	62.2	Low	74.9	Confident	137 Å²	137	64.4 Å²	64.4	73%	0.733	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-138.6	39.7	-179.7	-75	-43.9	0	0	0	112.6	P311 R421	P311-N313 VanDerWaalsContact C-N 3.33Å; P311-N313 PolarHBondContact O-N 3.26Å; N313-R421 PolarHBondContact O-NE 3.1Å; N313-R421 PolarHBondContact O-NH2 2.98Å
314	C	65.9	Low	74.9	Confident	24 Å²	24	66 Å²	66	16%	0.162	37%	0.373	C	S	.	.			trans	-114.1	99.5	-169.8	-64.7	0	0	0	0	114.7	P307 C309 V310 R421	P307-C314 HydrophobicContact CB-CB 3.51Å; P307-C314 HydrophobicContact CG-CB 4.16Å; C309-C314 HydrophobicContact CB-CB 4.49Å; C309-C314 WeakPolarHBondContact CB-SG 3.41Å; C309-C314 WeakPolarHBondContact SG-CB 3.4Å; C309-C314 CovalentContact SG-SG 2Å; C309-C314 PolarHBondContact SG-SG 2.96Å; V310-C314 PolarHBondContact O-SG 3.1Å; C314-R421 VanDerWaalsContact CA-NH2 3.26Å; C314-R421 PolarHBondContact SG-NE 2.89Å; C314-R421 PolarHBondContact SG-NH2 3.37Å
315	A	71.2	Confident	74.8	Confident	49 Å²	49	61.9 Å²	61.9	41%	0.405	35%	0.348	S	S	.	.			trans	-71.5	134.5	169.8	0	0	0	0	0	110.1	L428	A315-L428 HydrophobicContact CB-CD2 4.15Å
316	P	76.5	Confident	75.1	Confident	83 Å²	83	59.6 Å²	59.6	54%	0.539	34%	0.337	S	S	.	.			trans	-67.2	157.3	165.7	31.6	-34.5	0	0	0	109.9	T304	T304-P316 HydrophobicContact CG2-CB 3.41Å; T304-P316 VanDerWaalsContact CG2-CB 3.41Å; T304-P316 HydrophobicContact CG2-CG 4.14Å
317	W	78.4	Confident	75.6	Confident	34 Å²	34	58.7 Å²	58.7	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156	-178.1	57.4	-78.2	0	0	0	110	M305 C306 Q321 S322 P519	M305-W317 HydrophobicContact CB-CD2 3.85Å; M305-W317 VanDerWaalsContact CB-CE2 3.41Å; M305-W317 HydrophobicContact CB-CE3 4.29Å; M305-W317 HydrophobicContact CB-CG 4.39Å; M305-W317 HydrophobicContact CB-CH2 3.96Å; M305-W317 HydrophobicContact CB-CZ2 3.49Å; M305-W317 VanDerWaalsContact CB-CZ2 3.49Å; M305-W317 HydrophobicContact CB-CZ3 4.34Å; M305-W317 HydrophobicContact CE-CH2 4.41Å; M305-W317 HydrophobicContact CE-CZ2 4.43Å; M305-W317 HydrophobicContact CG-CD2 4.27Å; M305-W317 HydrophobicContact CG-CE3 4.2Å; M305-W317 HydrophobicContact CG-CH2 3.7Å; M305-W317 HydrophobicContact CG-CZ2 3.79Å; M305-W317 HydrophobicContact CG-CZ3 3.91Å; M305-W317 PolarHBondContact N-O 3.46Å; C306-W317 PolarHBondContact O-NE1 2.78Å; W317-Q321 HydrophobicContact CE3-CB 4.35Å; W317-S322 VanDerWaalsContact CZ3-OG 3.26Å; W317-S322 WeakPolarHBondContact CZ3-OG 3.33Å; W317-P519 HydrophobicContact CH2-CB 4.45Å; W317-P519 VanDerWaalsContact CH2-CD 3.44Å; W317-P519 HydrophobicContact CH2-CG 3.47Å; W317-P519 VanDerWaalsContact CH2-CG 3.47Å; W317-P519 HydrophobicContact CZ3-CG 4.01Å
318	T	82.6	Confident	76.4	Confident	47 Å²	47	61.8 Å²	61.8	29%	0.288	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	144.5	-177	54.4	0	0	0	0	111	E320 Q321	T318-E320 PolarHBondContact O-N 3.08Å; T318-E320 VanDerWaalsContact O-N 3.11Å; T318-Q321 WeakPolarHBondContact O-CB 3.24Å; T318-Q321 PolarHBondContact O-N 3.36Å
319	L	84.1	Confident	77.4	Confident	26 Å²	26	61.1 Å²	61.1	14%	0.136	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-55	-31.1	179.2	-177.3	61.7	0	0	0	113.1	I292 I303 M305 Q321 S322 P519	I292-L319 HydrophobicContact CG2-CG 4.35Å; I303-L319 PolarHBondContact O-N 2.96Å; M305-L319 HydrophobicContact CG-CB 4.45Å; M305-L319 HydrophobicContact SD-CD1 4.26Å; L319-Q321 PolarHBondContact O-N 3.4Å; L319-Q321 VanDerWaalsContact O-N 3.17Å; L319-S322 PolarHBondContact O-N 3.26Å; L319-P519 HydrophobicContact CD1-CB 3.89Å; L319-P519 HydrophobicContact CD1-CG 3.8Å
320	E	81.6	Confident	78.5	Confident	62 Å²	62	63.4 Å²	63.4	29%	0.29	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-53.7	-32.4	175.7	-176.7	176.2	-163.3	0	0	113.5	H295 T318 S322 C323	H295-E320 IonicContact CD2-OE1 3.54Å; H295-E320 PolarHBondContact CD2-OE1 3.01Å; H295-E320 IonicContact CG-OE1 3.05Å; H295-E320 IonicContact NE2-OE1 3.39Å; T318-E320 PolarHBondContact O-N 3.08Å; T318-E320 VanDerWaalsContact O-N 3.11Å; E320-S322 PolarHBondContact O-N 2.94Å; E320-S322 VanDerWaalsContact O-N 3.17Å; E320-C323 WeakPolarHBondContact O-CB 3.39Å; E320-C323 PolarHBondContact O-N 3.27Å
321	Q	79.8	Confident	79.7	Confident	113 Å²	113	59 Å²	59	53%	0.528	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.1	179.6	-65.1	-177.3	-8.5	0	0	112.9	W317 T318 L319	W317-Q321 HydrophobicContact CE3-CB 4.35Å; T318-Q321 WeakPolarHBondContact O-CB 3.24Å; T318-Q321 PolarHBondContact O-N 3.36Å; L319-Q321 PolarHBondContact O-N 3.4Å; L319-Q321 VanDerWaalsContact O-N 3.17Å
322	S	81.9	Confident	81.1	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.042	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-91.5	9	175.9	-69	0	0	0	0	113.7	W317 L319 E320 E324 S325 A326 D518 P519	W317-S322 VanDerWaalsContact CZ3-OG 3.26Å; W317-S322 WeakPolarHBondContact CZ3-OG 3.33Å; L319-S322 PolarHBondContact O-N 3.26Å; E320-S322 PolarHBondContact O-N 2.94Å; E320-S322 VanDerWaalsContact O-N 3.17Å; S322-E324 PolarHBondContact O-N 3.46Å; S322-S325 PolarHBondContact O-N 3.47Å; S322-A326 WeakPolarHBondContact O-CB 3.29Å; S322-A326 PolarHBondContact O-N 3.1Å; S322-D518 VanDerWaalsContact CB-OD1 3.31Å; S322-D518 WeakPolarHBondContact CB-OD1 3.29Å; S322-D518 PolarHBondContact OG-OD1 3.08Å; S322-D518 PolarHBondContact OG-OD2 3.01Å; S322-P519 VanDerWaalsContact CB-CG 3.48Å; S322-P519 WeakPolarHBondContact OG-CD 3.46Å; S322-P519 WeakPolarHBondContact OG-CG 3.39Å
323	C	86.5	Confident	82.3	Confident	16 Å²	16	53.9 Å²	53.9	11%	0.108	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-42.7	-179.1	169.7	0	0	0	0	113.2	I292 C293 E320 A326 K327	I292-C323 HydrophobicContact CG2-CB 4.5Å; C293-C323 HydrophobicContact CB-CB 4Å; C293-C323 WeakPolarHBondContact CB-SG 3.25Å; C293-C323 VanDerWaalsContact SG-CA 3.57Å; C293-C323 WeakPolarHBondContact SG-CB 3.44Å; C293-C323 CovalentContact SG-SG 2.03Å; C293-C323 PolarHBondContact SG-SG 2.96Å; E320-C323 WeakPolarHBondContact O-CB 3.39Å; E320-C323 PolarHBondContact O-N 3.27Å; C323-A326 PolarHBondContact O-N 3.49Å; C323-K327 WeakPolarHBondContact O-CG 3.46Å; C323-K327 PolarHBondContact O-N 2.9Å; C323-K327 VanDerWaalsContact SG-CE 3.58Å
324	E	83.9	Confident	83.6	Confident	101 Å²	101	48.2 Å²	48.2	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-42.5	179.4	-72.5	-58.3	133.4	0	0	112.1	S322 A326 K327 W328	S322-E324 PolarHBondContact O-N 3.46Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.47Å; E324-K327 PolarHBondContact O-N 3.26Å; E324-K327 IonicContact OE1-NZ 3.84Å; E324-K327 PolarHBondContact OE1-NZ 3.26Å; E324-W328 VanDerWaalsContact O-CD1 3.27Å; E324-W328 PolarHBondContact O-N 3.37Å; E324-W328 VanDerWaalsContact O-N 3.14Å
325	S	83.1	Confident	84.7	Confident	8 Å²	8	55.8 Å²	55.8	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-45	172.6	173.2	0	0	0	0	111.2	S322 K327 W328 N329 D518	S322-S325 PolarHBondContact O-N 3.47Å; S325-K327 PolarHBondContact O-N 3.23Å; S325-W328 PolarHBondContact O-N 3.05Å; S325-N329 WeakPolarHBondContact O-CB 3.5Å; S325-N329 PolarHBondContact O-N 3.35Å; S325-N329 PolarHBondContact O-ND2 3.22Å; S325-N329 VanDerWaalsContact O-ND2 3.15Å; S325-N329 PolarHBondContact OG-ND2 3.39Å; S325-D518 VanDerWaalsContact CB-OD1 3.27Å; S325-D518 WeakPolarHBondContact CB-OD1 3.11Å; S325-D518 VanDerWaalsContact OG-CG 3.24Å; S325-D518 PolarHBondContact OG-OD1 2.9Å
326	A	87.1	Confident	85.7	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-40	177.1	0	0	0	0	0	112.8	L289 I292 S322 C323 E324 N329 Y330	L289-A326 HydrophobicContact CD2-CB 4.03Å; I292-A326 HydrophobicContact CD1-CB 3.85Å; I292-A326 HydrophobicContact CG2-CB 4.04Å; S322-A326 WeakPolarHBondContact O-CB 3.29Å; S322-A326 PolarHBondContact O-N 3.1Å; C323-A326 PolarHBondContact O-N 3.49Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.47Å; A326-N329 PolarHBondContact O-N 3.39Å; A326-Y330 WeakPolarHBondContact O-CB 3.45Å; A326-Y330 PolarHBondContact O-N 3.27Å
327	K	89.8	Confident	86.3	Confident	64 Å²	64	52.3 Å²	52.3	28%	0.278	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-46.7	175.1	-74.4	174.2	-175.1	166.6	0	111.9	L283 L289 C323 E324 S325 Y330 T331	L283-K327 HydrophobicContact CD1-CB 4.21Å; L283-K327 HydrophobicContact CD1-CG 4.41Å; L283-K327 HydrophobicContact CD2-CB 4.26Å; L283-K327 HydrophobicContact CD2-CD 4.27Å; L283-K327 HydrophobicContact CD2-CG 4.15Å; L289-K327 HydrophobicContact CD2-CG 4.28Å; C323-K327 WeakPolarHBondContact O-CG 3.46Å; C323-K327 PolarHBondContact O-N 2.9Å; C323-K327 VanDerWaalsContact SG-CE 3.58Å; E324-K327 PolarHBondContact O-N 3.26Å; E324-K327 IonicContact OE1-NZ 3.84Å; E324-K327 PolarHBondContact OE1-NZ 3.26Å; S325-K327 PolarHBondContact O-N 3.23Å; K327-Y330 PolarHBondContact O-N 3.14Å; K327-T331 PolarHBondContact O-N 2.68Å; K327-T331 PolarHBondContact O-OG1 2.93Å
328	W	88.4	Confident	87	Confident	111 Å²	111	56.4 Å²	56.4	42%	0.42	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-45.8	177.1	-78.3	113.7	0	0	0	111.7	F276 E324 S325 Y330 T331 F332	F276-W328 HydrophobicContact CZ-CZ3 4.39Å; E324-W328 VanDerWaalsContact O-CD1 3.27Å; E324-W328 PolarHBondContact O-N 3.37Å; E324-W328 VanDerWaalsContact O-N 3.14Å; S325-W328 PolarHBondContact O-N 3.05Å; W328-Y330 VanDerWaalsContact C-N 3.35Å; W328-Y330 PolarHBondContact O-N 2.88Å; W328-T331 VanDerWaalsContact O-CB 3.3Å; W328-T331 WeakPolarHBondContact O-CB 3.36Å; W328-T331 PolarHBondContact O-N 3.34Å; W328-T331 VanDerWaalsContact O-N 3.08Å; W328-F332 HydrophobicContact CB-CD2 4.46Å; W328-F332 HydrophobicContact CB-CE2 4.11Å; W328-F332 HydrophobicContact CD2-CE2 4.42Å; W328-F332 AromaticContact CE3-CE2 3.75Å; W328-F332 HydrophobicContact CE3-CE2 3.75Å; W328-F332 AromaticContact CE3-CZ 3.64Å; W328-F332 HydrophobicContact CE3-CZ 3.64Å; W328-F332 HydrophobicContact CZ3-CZ 4.06Å; W328-F332 WeakPolarHBondContact O-CD2 3.5Å; W328-F332 PolarHBondContact O-N 3.5Å; W328-F332 VanDerWaalsContact O-N 3.09Å
329	N	88.8	Confident	87.4	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-41.3	177.6	-74	-37.4	0	0	0	112.2	S325 A326 T331 F332 D333 G520 G521 L523 N524	S325-N329 WeakPolarHBondContact O-CB 3.5Å; S325-N329 PolarHBondContact O-N 3.35Å; S325-N329 PolarHBondContact O-ND2 3.22Å; S325-N329 VanDerWaalsContact O-ND2 3.15Å; S325-N329 PolarHBondContact OG-ND2 3.39Å; A326-N329 PolarHBondContact O-N 3.39Å; N329-T331 PolarHBondContact O-N 3Å; N329-F332 PolarHBondContact O-N 2.9Å; N329-D333 WeakPolarHBondContact O-CB 3.39Å; N329-D333 PolarHBondContact O-N 2.99Å; N329-G520 WeakPolarHBondContact CB-O 3.44Å; N329-G520 PolarHBondContact ND2-O 2.93Å; N329-G521 VanDerWaalsContact ND2-CA 3.29Å; N329-G521 WeakPolarHBondContact ND2-CA 3.26Å; N329-G521 PolarHBondContact ND2-N 3.49Å; N329-G521 PolarHBondContact ND2-O 3.09Å; N329-G521 VanDerWaalsContact ND2-O 3.09Å; N329-L523 WeakPolarHBondContact OD1-CB 3.38Å; N329-L523 PolarHBondContact OD1-N 3.4Å; N329-N524 WeakPolarHBondContact OD1-CB 3.32Å; N329-N524 PolarHBondContact OD1-N 3.15Å
330	Y	89.4	Confident	87.9	Confident	60 Å²	60	58.3 Å²	58.3	24%	0.235	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-36.4	174.2	-179.5	-92	0	0	0	112.8	Q282 L283 S286 L289 A326 K327 W328	Q282-Y330 WeakPolarHBondContact CG-OH 3.33Å; L283-Y330 HydrophobicContact CD1-CD1 3.69Å; L283-Y330 HydrophobicContact CD1-CE1 4.44Å; L283-Y330 HydrophobicContact CD1-CG 4.4Å; S286-Y330 WeakPolarHBondContact OG-CE2 3.3Å; L289-Y330 HydrophobicContact CD1-CD1 3.89Å; L289-Y330 HydrophobicContact CD1-CD2 4.29Å; L289-Y330 HydrophobicContact CD1-CE1 4.48Å; L289-Y330 HydrophobicContact CD1-CG 3.78Å; L289-Y330 HydrophobicContact CG-CD2 4.37Å; L289-Y330 HydrophobicContact CG-CG 4.23Å; A326-Y330 WeakPolarHBondContact O-CB 3.45Å; A326-Y330 PolarHBondContact O-N 3.27Å; K327-Y330 PolarHBondContact O-N 3.14Å; W328-Y330 VanDerWaalsContact C-N 3.35Å; W328-Y330 PolarHBondContact O-N 2.88Å
331	T	89.3	Confident	88.5	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-40.6	179	-52.6	0	0	0	0	111.6	F276 M280 K327 W328 N329 N337	F276-T331 HydrophobicContact CD2-CG2 3.93Å; F276-T331 HydrophobicContact CE2-CG2 3.62Å; F276-T331 HydrophobicContact CZ-CG2 4.45Å; M280-T331 HydrophobicContact CE-CG2 3.45Å; M280-T331 VanDerWaalsContact CE-CG2 3.45Å; M280-T331 WeakPolarHBondContact CE-OG1 3.47Å; M280-T331 HydrophobicContact CG-CG2 4.27Å; M280-T331 HydrophobicContact SD-CG2 4.15Å; K327-T331 PolarHBondContact O-N 2.68Å; K327-T331 PolarHBondContact O-OG1 2.93Å; W328-T331 VanDerWaalsContact O-CB 3.3Å; W328-T331 WeakPolarHBondContact O-CB 3.36Å; W328-T331 PolarHBondContact O-N 3.34Å; W328-T331 VanDerWaalsContact O-N 3.08Å; N329-T331 PolarHBondContact O-N 3Å; T331-N337 PolarHBondContact O-ND2 2.88Å; T331-N337 VanDerWaalsContact O-ND2 3.17Å
332	F	88.6	Confident	89.2	Confident	49 Å²	49	57.6 Å²	57.6	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-85.4	-24.3	-178.9	-59.4	-48.5	0	0	0	113.7	F276 W328 N329 N337 L523 V527	F276-F332 HydrophobicContact CE2-CE1 4.37Å; W328-F332 HydrophobicContact CB-CD2 4.46Å; W328-F332 HydrophobicContact CB-CE2 4.11Å; W328-F332 HydrophobicContact CD2-CE2 4.42Å; W328-F332 AromaticContact CE3-CE2 3.75Å; W328-F332 HydrophobicContact CE3-CE2 3.75Å; W328-F332 AromaticContact CE3-CZ 3.64Å; W328-F332 HydrophobicContact CE3-CZ 3.64Å; W328-F332 HydrophobicContact CZ3-CZ 4.06Å; W328-F332 WeakPolarHBondContact O-CD2 3.5Å; W328-F332 PolarHBondContact O-N 3.5Å; W328-F332 VanDerWaalsContact O-N 3.09Å; N329-F332 PolarHBondContact O-N 2.9Å; F332-N337 WeakPolarHBondContact CA-ND2 3.16Å; F332-N337 PolarHBondContact O-ND2 3.49Å; F332-L523 HydrophobicContact CB-CD2 3.51Å; F332-L523 HydrophobicContact CB-CG 4.1Å; F332-V527 HydrophobicContact CD1-CG1 4.39Å; F332-V527 HydrophobicContact CD1-CG2 4.47Å; F332-V527 HydrophobicContact CD2-CB 4.3Å; F332-V527 HydrophobicContact CD2-CG1 4.19Å; F332-V527 HydrophobicContact CD2-CG2 4.02Å; F332-V527 HydrophobicContact CE1-CG1 3.91Å; F332-V527 HydrophobicContact CE2-CB 4.14Å; F332-V527 HydrophobicContact CE2-CG1 3.67Å; F332-V527 HydrophobicContact CE2-CG2 4.33Å; F332-V527 HydrophobicContact CG-CG2 4.12Å; F332-V527 HydrophobicContact CZ-CB 4.47Å; F332-V527 HydrophobicContact CZ-CG1 3.53Å
333	D	88.5	Confident	89.8	Confident	127 Å²	127	60 Å²	60	68%	0.679	30%	0.304	S	S	*	.	S	Bend	trans	-107	57.7	176.7	-167.6	21.3	0	0	0	111.2	N329 L523	N329-D333 WeakPolarHBondContact O-CB 3.39Å; N329-D333 PolarHBondContact O-N 2.99Å; D333-L523 HydrophobicContact CB-CD2 4.03Å
334	S	89.4	Confident	90.2	Very high	17 Å²	17	61.7 Å²	61.7	12%	0.119	31%	0.313	C	S	.	.	S	Bend	trans	-105.4	155.6	180	74.7	0	0	0	0	111.7	T279 A336 N337	T279-S334 VanDerWaalsContact CG2-CB 3.41Å; T279-S334 WeakPolarHBondContact CG2-OG 3.41Å; S334-A336 PolarHBondContact O-N 3.34Å; S334-A336 VanDerWaalsContact O-N 3.14Å; S334-A336 PolarHBondContact OG-N 2.92Å; S334-N337 PolarHBondContact O-N 2.89Å; S334-N337 PolarHBondContact OG-N 2.96Å; S334-N337 PolarHBondContact OG-ND2 3.4Å
335	K	90.4	Very high	90.8	Very high	183 Å²	183	62.2 Å²	62.2	80%	0.796	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-27.5	170.5	-65.7	-179.3	-178.1	175.8	0	112.6	N337 L338 V339	K335-N337 VanDerWaalsContact C-N 3.32Å; K335-N337 PolarHBondContact O-N 3.41Å; K335-L338 WeakPolarHBondContact O-CB 3.05Å; K335-L338 PolarHBondContact O-N 3.24Å; K335-V339 PolarHBondContact O-N 2.9Å
336	A	91	Very high	91.4	Very high	14 Å²	14	66.4 Å²	66.4	12%	0.116	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-34.3	176.2	0	0	0	0	0	112	C275 Y278 T279 S334 L338 V339 M340	C275-A336 HydrophobicContact CB-CB 4.16Å; Y278-A336 HydrophobicContact CD1-CB 4.35Å; T279-A336 HydrophobicContact CG2-CB 3.9Å; S334-A336 PolarHBondContact O-N 3.34Å; S334-A336 VanDerWaalsContact O-N 3.14Å; S334-A336 PolarHBondContact OG-N 2.92Å; A336-L338 VanDerWaalsContact C-N 3.34Å; A336-L338 PolarHBondContact O-N 2.87Å; A336-V339 WeakPolarHBondContact O-CB 3.46Å; A336-V339 PolarHBondContact O-N 3.21Å; A336-M340 PolarHBondContact O-N 3.1Å
337	N	90.5	Very high	91.9	Very high	45 Å²	45	68.3 Å²	68.3	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-72.7	-26.4	178.8	-65.6	-25.9	0	0	0	112.8	T331 F332 S334 K335 M340 T341	T331-N337 PolarHBondContact O-ND2 2.88Å; T331-N337 VanDerWaalsContact O-ND2 3.17Å; F332-N337 WeakPolarHBondContact CA-ND2 3.16Å; F332-N337 PolarHBondContact O-ND2 3.49Å; S334-N337 PolarHBondContact O-N 2.89Å; S334-N337 PolarHBondContact OG-N 2.96Å; S334-N337 PolarHBondContact OG-ND2 3.4Å; K335-N337 VanDerWaalsContact C-N 3.32Å; K335-N337 PolarHBondContact O-N 3.41Å; N337-M340 PolarHBondContact O-N 2.92Å; N337-T341 PolarHBondContact O-N 3.3Å; N337-T341 PolarHBondContact O-OG1 3.37Å
338	L	91.8	Very high	92.3	Very high	120 Å²	120	67.2 Å²	67.2	63%	0.628	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-45.3	167.9	-65.4	174.5	0	0	0	111.2	K335 A336 M340 T341 V342	K335-L338 WeakPolarHBondContact O-CB 3.05Å; K335-L338 PolarHBondContact O-N 3.24Å; A336-L338 VanDerWaalsContact C-N 3.34Å; A336-L338 PolarHBondContact O-N 2.87Å; L338-M340 VanDerWaalsContact C-N 3.34Å; L338-T341 WeakPolarHBondContact O-CB 3.22Å; L338-T341 PolarHBondContact O-N 2.62Å; L338-V342 PolarHBondContact O-N 2.62Å
339	V	92.1	Very high	92.6	Very high	86 Å²	86	65.7 Å²	65.7	52%	0.521	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.3	178.6	0	0	0	0	110.4	K335 A336 T341 V342 I343	K335-V339 PolarHBondContact O-N 2.9Å; A336-V339 WeakPolarHBondContact O-CB 3.46Å; A336-V339 PolarHBondContact O-N 3.21Å; V339-T341 VanDerWaalsContact C-N 3.29Å; V339-T341 PolarHBondContact O-N 3.44Å; V339-V342 PolarHBondContact O-N 2.77Å; V339-I343 HydrophobicContact CG1-CD1 3.95Å; V339-I343 WeakPolarHBondContact O-CG1 3.29Å; V339-I343 PolarHBondContact O-N 3.22Å; V339-I343 VanDerWaalsContact O-N 3.09Å
340	M	93.5	Very high	93	Very high	27 Å²	27	70.1 Å²	70.1	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-41.2	176.4	-172.2	63.8	-155.7	0	0	111.9	P268 V271 A336 N337 L338 V342 I343 T344	P268-M340 HydrophobicContact CB-CE 3.59Å; P268-M340 WeakPolarHBondContact O-CE 3.38Å; V271-M340 HydrophobicContact CB-SD 4.35Å; V271-M340 HydrophobicContact CG1-SD 3.87Å; A336-M340 PolarHBondContact O-N 3.1Å; N337-M340 PolarHBondContact O-N 2.92Å; L338-M340 VanDerWaalsContact C-N 3.34Å; M340-V342 PolarHBondContact O-N 2.98Å; M340-I343 PolarHBondContact O-N 2.99Å; M340-T344 HydrophobicContact CE-CG2 3.37Å; M340-T344 HydrophobicContact CG-CG2 4.32Å; M340-T344 WeakPolarHBondContact O-CG2 3.43Å; M340-T344 PolarHBondContact O-N 2.98Å; M340-T344 PolarHBondContact O-OG1 2.84Å
341	T	94.3	Very high	93.4	Very high	74 Å²	74	68 Å²	68	45%	0.454	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-48.9	178.3	-59.8	0	0	0	0	111.2	N337 L338 V339 I343 T344 L345	N337-T341 PolarHBondContact O-N 3.3Å; N337-T341 PolarHBondContact O-OG1 3.37Å; L338-T341 WeakPolarHBondContact O-CB 3.22Å; L338-T341 PolarHBondContact O-N 2.62Å; V339-T341 VanDerWaalsContact C-N 3.29Å; V339-T341 PolarHBondContact O-N 3.44Å; T341-I343 VanDerWaalsContact C-N 3.31Å; T341-I343 PolarHBondContact O-N 2.92Å; T341-T344 PolarHBondContact O-N 3.35Å; T341-T344 PolarHBondContact O-OG1 3.43Å; T341-L345 HydrophobicContact CG2-CD1 4.36Å; T341-L345 WeakPolarHBondContact O-CG 3.39Å; T341-L345 PolarHBondContact O-N 3.28Å
342	V	94.7	Very high	93.7	Very high	87 Å²	87	72.7 Å²	72.7	53%	0.527	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-43.9	176.5	177.4	0	0	0	0	111.1	L338 V339 M340 T344 L345 I346	L338-V342 PolarHBondContact O-N 2.62Å; V339-V342 PolarHBondContact O-N 2.77Å; M340-V342 PolarHBondContact O-N 2.98Å; V342-T344 PolarHBondContact O-N 2.86Å; V342-L345 PolarHBondContact O-N 3.38Å; V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 WeakPolarHBondContact O-CG1 3.05Å; V342-I346 PolarHBondContact O-N 3.28Å; V342-I346 VanDerWaalsContact O-N 3.14Å
343	I	94.7	Very high	94.1	Very high	57 Å²	57	75.2 Å²	75.2	29%	0.292	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-44.3	177.7	-67.1	171.4	0	0	0	111.1	V271 V339 M340 T341 L345 I346 W347	V271-I343 HydrophobicContact CG1-CD1 3.9Å; V339-I343 HydrophobicContact CG1-CD1 3.95Å; V339-I343 WeakPolarHBondContact O-CG1 3.29Å; V339-I343 PolarHBondContact O-N 3.22Å; V339-I343 VanDerWaalsContact O-N 3.09Å; M340-I343 PolarHBondContact O-N 2.99Å; T341-I343 VanDerWaalsContact C-N 3.31Å; T341-I343 PolarHBondContact O-N 2.92Å; I343-L345 PolarHBondContact O-N 2.84Å; I343-I346 PolarHBondContact O-N 3.4Å; I343-W347 WeakPolarHBondContact O-CB 3.18Å; I343-W347 PolarHBondContact O-N 3.42Å
344	T	95.2	Very high	94.5	Very high	50 Å²	50	71 Å²	71	31%	0.307	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-36.1	179.5	57.4	0	0	0	0	113.4	M340 T341 V342 W347 A348	M340-T344 HydrophobicContact CE-CG2 3.37Å; M340-T344 HydrophobicContact CG-CG2 4.32Å; M340-T344 WeakPolarHBondContact O-CG2 3.43Å; M340-T344 PolarHBondContact O-N 2.98Å; M340-T344 PolarHBondContact O-OG1 2.84Å; T341-T344 PolarHBondContact O-N 3.35Å; T341-T344 PolarHBondContact O-OG1 3.43Å; V342-T344 PolarHBondContact O-N 2.86Å; T344-W347 PolarHBondContact O-N 3.28Å; T344-A348 WeakPolarHBondContact O-CB 3.42Å; T344-A348 PolarHBondContact O-N 2.93Å
345	L	96.5	Very high	94.8	Very high	112 Å²	112	71.6 Å²	71.6	59%	0.586	39%	0.386	S	S	*	.	H	α-helix	trans	-67	-43.6	176.5	-70	173	0	0	0	111.9	T341 V342 I343 S349	T341-L345 HydrophobicContact CG2-CD1 4.36Å; T341-L345 WeakPolarHBondContact O-CG 3.39Å; T341-L345 PolarHBondContact O-N 3.28Å; V342-L345 PolarHBondContact O-N 3.38Å; I343-L345 PolarHBondContact O-N 2.84Å; L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 PolarHBondContact O-OG 3.49Å; L345-S349 VanDerWaalsContact O-OG 3.08Å
346	I	96.1	Very high	95.1	Very high	96 Å²	96	68.4 Å²	68.4	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-46.7	174.6	-65.7	169.4	0	0	0	109.7	V342 I343 A348 S349 L350	V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 WeakPolarHBondContact O-CG1 3.05Å; V342-I346 PolarHBondContact O-N 3.28Å; V342-I346 VanDerWaalsContact O-N 3.14Å; I343-I346 PolarHBondContact O-N 3.4Å; I346-A348 PolarHBondContact O-N 3.43Å; I346-S349 PolarHBondContact O-N 3.47Å; I346-L350 HydrophobicContact CG2-CD1 3.81Å; I346-L350 HydrophobicContact CG2-CG 4.25Å; I346-L350 WeakPolarHBondContact O-CG 3.24Å; I346-L350 PolarHBondContact O-N 3.31Å
347	W	97.7	Very high	95.3	Very high	45 Å²	45	76.7 Å²	76.7	17%	0.17	40%	0.4	C	S	.	.	H	α-helix	trans	-57.7	-45.6	178	172	89.1	0	0	0	112.2	Y261 M264 L265 P268 I343 T344 S349 L350 F351	Y261-W347 AromaticContact CE2-CH2 3.92Å; Y261-W347 HydrophobicContact CE2-CH2 3.92Å; Y261-W347 HydrophobicContact CE2-CZ2 4.46Å; M264-W347 HydrophobicContact CB-CZ2 4.33Å; M264-W347 PolarHBondContact O-NE1 3.49Å; L265-W347 HydrophobicContact CD2-CH2 3.65Å; L265-W347 HydrophobicContact CD2-CZ2 3.63Å; L265-W347 HydrophobicContact CG-CH2 4.34Å; L265-W347 HydrophobicContact CG-CZ2 4.03Å; P268-W347 HydrophobicContact CG-CD2 4.14Å; P268-W347 HydrophobicContact CG-CG 4.24Å; P268-W347 HydrophobicContact CG-CZ2 4.37Å; I343-W347 WeakPolarHBondContact O-CB 3.18Å; I343-W347 PolarHBondContact O-N 3.42Å; T344-W347 PolarHBondContact O-N 3.28Å; W347-S349 VanDerWaalsContact C-N 3.31Å; W347-S349 PolarHBondContact O-N 3.14Å; W347-L350 PolarHBondContact O-N 2.91Å; W347-F351 VanDerWaalsContact O-CB 3.26Å; W347-F351 WeakPolarHBondContact O-CB 3.31Å; W347-F351 PolarHBondContact O-N 3.02Å
348	A	96.6	Very high	95.5	Very high	41 Å²	41	79.4 Å²	79.4	34%	0.339	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-41.3	-179.6	0	0	0	0	0	111.7	T344 I346 L352	T344-A348 WeakPolarHBondContact O-CB 3.42Å; T344-A348 PolarHBondContact O-N 2.93Å; I346-A348 PolarHBondContact O-N 3.43Å; A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.23Å
349	S	96.3	Very high	95.6	Very high	78 Å²	78	77.7 Å²	77.7	55%	0.545	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-46.9	176.7	-55.9	0	0	0	0	111.7	L345 I346 W347 F351 L352 E353	L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 PolarHBondContact O-OG 3.49Å; L345-S349 VanDerWaalsContact O-OG 3.08Å; I346-S349 PolarHBondContact O-N 3.47Å; W347-S349 VanDerWaalsContact C-N 3.31Å; W347-S349 PolarHBondContact O-N 3.14Å; S349-F351 PolarHBondContact O-N 3.44Å; S349-L352 PolarHBondContact O-N 2.95Å; S349-E353 PolarHBondContact O-N 2.89Å
350	L	96.6	Very high	95.6	Very high	103 Å²	103	75.8 Å²	75.8	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-42.5	176.8	-71.4	176.2	0	0	0	111.6	I346 W347 L352 E353 T354	I346-L350 HydrophobicContact CG2-CD1 3.81Å; I346-L350 HydrophobicContact CG2-CG 4.25Å; I346-L350 WeakPolarHBondContact O-CG 3.24Å; I346-L350 PolarHBondContact O-N 3.31Å; W347-L350 PolarHBondContact O-N 2.91Å; L350-L352 PolarHBondContact O-N 3.44Å; L350-E353 PolarHBondContact O-N 3.34Å; L350-T354 VanDerWaalsContact O-CB 3.24Å; L350-T354 WeakPolarHBondContact O-CB 3.38Å; L350-T354 WeakPolarHBondContact O-CG2 3.32Å; L350-T354 PolarHBondContact O-N 3.4Å; L350-T354 PolarHBondContact O-OG1 2.83Å
351	F	97.2	Very high	95.6	Very high	16 Å²	16	77.4 Å²	77.4	7%	0.07	40%	0.401	C	S	.	.	H	α-helix	trans	-56.8	-49.6	178.8	167.9	-104.9	0	0	0	111.4	W257 Y260 Y261 M264 W347 S349 T354 W355	W257-F351 AromaticContact NE1-CZ 3.99Å; Y260-F351 HydrophobicContact CD1-CD2 4.13Å; Y260-F351 AromaticContact CD1-CE2 3.74Å; Y260-F351 HydrophobicContact CD1-CE2 3.74Å; Y260-F351 AromaticContact CE1-CD2 3.95Å; Y260-F351 HydrophobicContact CE1-CD2 3.95Å; Y260-F351 HydrophobicContact CE1-CE2 4.03Å; Y261-F351 HydrophobicContact CD2-CD2 4.43Å; Y261-F351 HydrophobicContact CD2-CE1 4.16Å; Y261-F351 AromaticContact CD2-CE2 3.69Å; Y261-F351 HydrophobicContact CD2-CE2 3.69Å; Y261-F351 AromaticContact CD2-CZ 3.53Å; Y261-F351 HydrophobicContact CD2-CZ 3.53Å; Y261-F351 HydrophobicContact CE2-CZ 4.36Å; Y261-F351 HydrophobicContact CG-CE2 4.38Å; Y261-F351 HydrophobicContact CG-CZ 4.28Å; M264-F351 HydrophobicContact CB-CD2 3.97Å; M264-F351 HydrophobicContact CG-CD2 4.14Å; W347-F351 VanDerWaalsContact O-CB 3.26Å; W347-F351 WeakPolarHBondContact O-CB 3.31Å; W347-F351 PolarHBondContact O-N 3.02Å; S349-F351 PolarHBondContact O-N 3.44Å; F351-T354 PolarHBondContact O-OG1 2.91Å; F351-W355 WeakPolarHBondContact O-CB 3.49Å; F351-W355 PolarHBondContact O-N 2.88Å
352	L	96.3	Very high	95.4	Very high	99 Å²	99	74.1 Å²	74.1	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-46.7	-179	-69.2	173.9	0	0	0	112.2	A348 S349 L350 W355 K356	A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.23Å; S349-L352 PolarHBondContact O-N 2.95Å; L350-L352 PolarHBondContact O-N 3.44Å; L352-W355 PolarHBondContact O-N 3.32Å; L352-K356 WeakPolarHBondContact O-CG 3.4Å; L352-K356 PolarHBondContact O-N 3.44Å
353	E	96.9	Very high	95.2	Very high	103 Å²	103	70.5 Å²	70.5	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-39.6	-178.5	-70.8	-54.4	130.9	0	0	112.7	S349 L350 K356 R357	S349-E353 PolarHBondContact O-N 2.89Å; L350-E353 PolarHBondContact O-N 3.34Å; E353-K356 PolarHBondContact O-N 2.97Å; E353-K356 IonicContact OE1-NZ 3.91Å; E353-K356 PolarHBondContact OE1-NZ 2.92Å; E353-K356 IonicContact OE2-NZ 3.77Å; E353-R357 WeakPolarHBondContact O-CG 3.44Å; E353-R357 PolarHBondContact O-N 2.73Å
354	T	96.1	Very high	94.8	Very high	39 Å²	39	75.4 Å²	75.4	24%	0.239	38%	0.376	C	S	.	.	H	α-helix	trans	-72.7	-32.4	177.4	58.9	0	0	0	0	112	Y260 L350 F351 R357 R358	Y260-T354 WeakPolarHBondContact OH-CB 3.43Å; Y260-T354 PolarHBondContact OH-OG1 2.65Å; L350-T354 VanDerWaalsContact O-CB 3.24Å; L350-T354 WeakPolarHBondContact O-CB 3.38Å; L350-T354 WeakPolarHBondContact O-CG2 3.32Å; L350-T354 PolarHBondContact O-N 3.4Å; L350-T354 PolarHBondContact O-OG1 2.83Å; F351-T354 PolarHBondContact O-OG1 2.91Å; T354-R357 PolarHBondContact O-N 2.86Å; T354-R358 WeakPolarHBondContact O-CB 3.24Å; T354-R358 PolarHBondContact O-N 2.94Å
355	W	96.9	Very high	94.3	Very high	28 Å²	28	77.5 Å²	77.5	11%	0.106	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-48.7	170.6	173.3	-105.6	0	0	0	111.3	A256 W257 Y260 F351 L352 R357 R358 E359	A256-W355 HydrophobicContact CB-CH2 4.31Å; W257-W355 VanDerWaalsContact CA-CZ3 3.41Å; W257-W355 HydrophobicContact CB-CH2 3.45Å; W257-W355 VanDerWaalsContact CB-CH2 3.45Å; W257-W355 HydrophobicContact CB-CZ2 3.66Å; W257-W355 HydrophobicContact CB-CZ3 4.04Å; W257-W355 AromaticContact CD1-CD2 3.79Å; W257-W355 AromaticContact CD1-CE2 3.52Å; W257-W355 AromaticContact CD1-CZ2 3.67Å; W257-W355 AromaticContact CD1-NE1 3.94Å; W257-W355 HydrophobicContact CG-CH2 4.2Å; W257-W355 HydrophobicContact CG-CZ2 4.08Å; W257-W355 VanDerWaalsContact N-CH2 3.33Å; Y260-W355 HydrophobicContact CD1-CB 4.23Å; Y260-W355 HydrophobicContact CD1-CD2 4.42Å; Y260-W355 AromaticContact CD1-CE3 3.56Å; Y260-W355 HydrophobicContact CD1-CE3 3.56Å; Y260-W355 HydrophobicContact CD1-CZ3 4.38Å; Y260-W355 HydrophobicContact CE1-CB 4.01Å; Y260-W355 HydrophobicContact CE1-CE3 4.31Å; Y260-W355 AromaticContact CG-CE3 3.79Å; Y260-W355 HydrophobicContact CG-CE3 3.79Å; Y260-W355 HydrophobicContact CG-CZ3 4.17Å; F351-W355 WeakPolarHBondContact O-CB 3.49Å; F351-W355 PolarHBondContact O-N 2.88Å; L352-W355 PolarHBondContact O-N 3.32Å; W355-R357 PolarHBondContact O-N 2.72Å; W355-R358 HydrophobicContact CE3-CB 4.37Å; W355-R358 HydrophobicContact CE3-CG 4.41Å; W355-R358 HydrophobicContact CZ3-CG 4.27Å; W355-R358 CarbonylContact O-C 3.53Å; W355-R358 WeakPolarHBondContact O-CA 3.36Å; W355-R358 WeakPolarHBondContact O-CB 3.44Å; W355-R358 PolarHBondContact O-N 3.48Å; W355-E359 HydrophobicContact CZ2-CB 4.2Å; W355-E359 HydrophobicContact CZ2-CG 4.48Å; W355-E359 PolarHBondContact NE1-OE2 2.69Å; W355-E359 VanDerWaalsContact NE1-OE2 3.1Å; W355-E359 WeakPolarHBondContact O-CB 3.47Å; W355-E359 PolarHBondContact O-N 3.34Å
356	K	96	Very high	93.8	Very high	116 Å²	116	72.7 Å²	72.7	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-53	-42.8	176.2	-72	172.2	-174	169.2	0	112.2	L352 E353 A360	L352-K356 WeakPolarHBondContact O-CG 3.4Å; L352-K356 PolarHBondContact O-N 3.44Å; E353-K356 PolarHBondContact O-N 2.97Å; E353-K356 IonicContact OE1-NZ 3.91Å; E353-K356 PolarHBondContact OE1-NZ 2.92Å; E353-K356 IonicContact OE2-NZ 3.77Å; K356-A360 WeakPolarHBondContact O-CB 3.18Å; K356-A360 PolarHBondContact O-N 3.06Å
357	R	96.4	Very high	93.2	Very high	189 Å²	189	70.4 Å²	70.4	71%	0.713	34%	0.343	S	S	*	.	H	α-helix	trans	-65.5	-41.5	176.3	-66.7	177.1	68.6	-177	2.3	112.3	E353 T354 W355 T361	E353-R357 WeakPolarHBondContact O-CG 3.44Å; E353-R357 PolarHBondContact O-N 2.73Å; T354-R357 PolarHBondContact O-N 2.86Å; W355-R357 PolarHBondContact O-N 2.72Å; R357-T361 PolarHBondContact O-N 2.85Å; R357-T361 VanDerWaalsContact O-N 3.1Å; R357-T361 PolarHBondContact O-OG1 2.58Å
358	R	94.1	Very high	92.4	Very high	102 Å²	102	69.4 Å²	69.4	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-44.6	178.2	-179	59.2	176.3	-172.5	-1.1	111.3	Y260 T354 W355 T361 L362	Y260-R358 HydrophobicContact CD2-CG 4.3Å; T354-R358 WeakPolarHBondContact O-CB 3.24Å; T354-R358 PolarHBondContact O-N 2.94Å; W355-R358 HydrophobicContact CE3-CB 4.37Å; W355-R358 HydrophobicContact CE3-CG 4.41Å; W355-R358 HydrophobicContact CZ3-CG 4.27Å; W355-R358 CarbonylContact O-C 3.53Å; W355-R358 WeakPolarHBondContact O-CA 3.36Å; W355-R358 WeakPolarHBondContact O-CB 3.44Å; W355-R358 PolarHBondContact O-N 3.48Å; R358-T361 WeakPolarHBondContact O-CB 3.19Å; R358-T361 PolarHBondContact O-N 3.42Å; R358-L362 HydrophobicContact CG-CD1 4.21Å; R358-L362 WeakPolarHBondContact O-CG 2.96Å; R358-L362 PolarHBondContact O-N 3.4Å
359	E	94.1	Very high	91.5	Very high	84 Å²	84	75.2 Å²	75.2	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-51.5	174.8	-177.3	-177.8	169.5	0	0	110.8	F253 W355 T361 L362 A363	F253-E359 HydrophobicContact CE1-CG 4.09Å; W355-E359 HydrophobicContact CZ2-CB 4.2Å; W355-E359 HydrophobicContact CZ2-CG 4.48Å; W355-E359 PolarHBondContact NE1-OE2 2.69Å; W355-E359 VanDerWaalsContact NE1-OE2 3.1Å; W355-E359 WeakPolarHBondContact O-CB 3.47Å; W355-E359 PolarHBondContact O-N 3.34Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.45Å; E359-L362 PolarHBondContact O-N 3.46Å; E359-L362 VanDerWaalsContact O-N 3.1Å; E359-A363 WeakPolarHBondContact O-CB 3.42Å; E359-A363 PolarHBondContact O-N 2.86Å
360	A	92.3	Very high	90.3	Very high	45 Å²	45	74.9 Å²	74.9	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-57.7	-40.5	176.9	0	0	0	0	0	112.5	K356 Y364	K356-A360 WeakPolarHBondContact O-CB 3.18Å; K356-A360 PolarHBondContact O-N 3.06Å; A360-Y364 WeakPolarHBondContact O-CB 3.45Å; A360-Y364 PolarHBondContact O-N 3.18Å
361	T	91.6	Very high	88.8	Confident	62 Å²	62	73.2 Å²	73.2	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-41.9	176.5	-56.7	0	0	0	0	112	R357 R358 E359 K365	R357-T361 PolarHBondContact O-N 2.85Å; R357-T361 VanDerWaalsContact O-N 3.1Å; R357-T361 PolarHBondContact O-OG1 2.58Å; R358-T361 WeakPolarHBondContact O-CB 3.19Å; R358-T361 PolarHBondContact O-N 3.42Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.45Å; T361-K365 HydrophobicContact CG2-CD 4.34Å; T361-K365 VanDerWaalsContact O-CG 3.31Å; T361-K365 WeakPolarHBondContact O-CG 3.48Å; T361-K365 PolarHBondContact O-N 3.2Å
362	L	91.2	Very high	87	Confident	5 Å²	5	81.5 Å²	81.5	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-71.6	-41.5	178.3	-69.9	173	0	0	0	111.5	F253 A256 R358 E359 Y364 K365 W366	F253-L362 HydrophobicContact CE1-CB 3.93Å; F253-L362 HydrophobicContact CZ-CB 4.35Å; A256-L362 HydrophobicContact CB-CD1 3.63Å; R358-L362 HydrophobicContact CG-CD1 4.21Å; R358-L362 WeakPolarHBondContact O-CG 2.96Å; R358-L362 PolarHBondContact O-N 3.4Å; E359-L362 PolarHBondContact O-N 3.46Å; E359-L362 VanDerWaalsContact O-N 3.1Å; L362-Y364 VanDerWaalsContact C-N 3.28Å; L362-Y364 PolarHBondContact O-N 2.83Å; L362-K365 PolarHBondContact O-N 3.01Å; L362-W366 HydrophobicContact CB-CD2 4.47Å; L362-W366 HydrophobicContact CB-CE3 4.14Å; L362-W366 HydrophobicContact CB-CH2 4.47Å; L362-W366 HydrophobicContact CB-CZ3 4.13Å; L362-W366 HydrophobicContact CD1-CH2 4.2Å; L362-W366 HydrophobicContact CD1-CZ3 4.39Å; L362-W366 HydrophobicContact CD2-CH2 4.09Å; L362-W366 HydrophobicContact CD2-CZ2 3.88Å; L362-W366 HydrophobicContact CG-CH2 4.49Å; L362-W366 WeakPolarHBondContact O-CB 3.47Å; L362-W366 PolarHBondContact O-N 3.45Å
363	A	89.9	Confident	85	Confident	11 Å²	11	85 Å²	85	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-60.2	-38.5	175.8	0	0	0	0	0	111.9	F253 E359 N367 A368 Y369	F253-A363 HydrophobicContact CZ-CB 3.96Å; E359-A363 WeakPolarHBondContact O-CB 3.42Å; E359-A363 PolarHBondContact O-N 2.86Å; A363-N367 CarbonylContact O-C 3.54Å; A363-N367 PolarHBondContact O-N 3.41Å; A363-N367 VanDerWaalsContact O-N 3.13Å; A363-A368 PolarHBondContact O-N 2.84Å; A363-Y369 HydrophobicContact CB-CD2 4.19Å; A363-Y369 PolarHBondContact O-N 3.42Å
364	Y	86.2	Confident	83.1	Confident	160 Å²	160	83.3 Å²	83.3	63%	0.627	39%	0.394	S	S	*	.	H	α-helix	trans	-65.4	-52.5	171.3	-179.3	-97.6	0	0	0	111.8	A360 L362 W366 N367	A360-Y364 WeakPolarHBondContact O-CB 3.45Å; A360-Y364 PolarHBondContact O-N 3.18Å; L362-Y364 VanDerWaalsContact C-N 3.28Å; L362-Y364 PolarHBondContact O-N 2.83Å; Y364-W366 VanDerWaalsContact C-N 3.29Å; Y364-W366 PolarHBondContact O-N 3.46Å; Y364-N367 PolarHBondContact O-N 3.48Å; Y364-N367 VanDerWaalsContact O-N 3.11Å
365	K	85.4	Confident	81.3	Confident	94 Å²	94	86.6 Å²	86.6	41%	0.409	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-34.6	-178.3	-74.9	179.6	-180	-173.4	0	113.8	V134 T361 L362	V134-K365 HydrophobicContact CG2-CD 4.32Å; V134-K365 HydrophobicContact CG2-CG 4.2Å; T361-K365 HydrophobicContact CG2-CD 4.34Å; T361-K365 VanDerWaalsContact O-CG 3.31Å; T361-K365 WeakPolarHBondContact O-CG 3.48Å; T361-K365 PolarHBondContact O-N 3.2Å; L362-K365 PolarHBondContact O-N 3.01Å
366	W	85.8	Confident	80.1	Confident	10 Å²	10	89.7 Å²	89.7	4%	0.038	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.4	179.6	-60.4	-25	0	0	0	113.2	L240 N241 Q244 E249 A252 F253 A256 L362 Y364 A368	L240-W366 HydrophobicContact CB-CH2 4.28Å; L240-W366 HydrophobicContact CB-CZ2 3.86Å; N241-W366 PolarHBondContact OD1-NE1 3.3Å; Q244-W366 HydrophobicContact CB-CD2 4.25Å; Q244-W366 HydrophobicContact CB-CZ2 4.15Å; Q244-W366 HydrophobicContact CG-CB 4.34Å; Q244-W366 HydrophobicContact CG-CD2 3.83Å; Q244-W366 HydrophobicContact CG-CE3 4.34Å; Q244-W366 HydrophobicContact CG-CG 3.83Å; E249-W366 HydrophobicContact CG-CB 4.39Å; A252-W366 HydrophobicContact CB-CE3 4.42Å; A252-W366 HydrophobicContact CB-CH2 3.6Å; A252-W366 HydrophobicContact CB-CZ2 4.18Å; A252-W366 HydrophobicContact CB-CZ3 3.75Å; F253-W366 HydrophobicContact CD1-CZ3 4.04Å; F253-W366 HydrophobicContact CD2-CE3 4.12Å; F253-W366 HydrophobicContact CD2-CZ3 4.07Å; F253-W366 HydrophobicContact CE1-CE3 4.28Å; F253-W366 HydrophobicContact CE1-CZ3 4.14Å; F253-W366 AromaticContact CE2-CE3 3.81Å; F253-W366 HydrophobicContact CE2-CE3 3.81Å; F253-W366 HydrophobicContact CE2-CZ3 4.16Å; F253-W366 HydrophobicContact CG-CE3 4.47Å; F253-W366 AromaticContact CG-CZ3 4Å; F253-W366 HydrophobicContact CG-CZ3 4Å; F253-W366 AromaticContact CZ-CE3 3.9Å; F253-W366 HydrophobicContact CZ-CE3 3.9Å; F253-W366 HydrophobicContact CZ-CZ3 4.19Å; A256-W366 HydrophobicContact CB-CH2 4.23Å; L362-W366 HydrophobicContact CB-CD2 4.47Å; L362-W366 HydrophobicContact CB-CE3 4.14Å; L362-W366 HydrophobicContact CB-CH2 4.47Å; L362-W366 HydrophobicContact CB-CZ3 4.13Å; L362-W366 HydrophobicContact CD1-CH2 4.2Å; L362-W366 HydrophobicContact CD1-CZ3 4.39Å; L362-W366 HydrophobicContact CD2-CH2 4.09Å; L362-W366 HydrophobicContact CD2-CZ2 3.88Å; L362-W366 HydrophobicContact CG-CH2 4.49Å; L362-W366 WeakPolarHBondContact O-CB 3.47Å; L362-W366 PolarHBondContact O-N 3.45Å; Y364-W366 VanDerWaalsContact C-N 3.29Å; Y364-W366 PolarHBondContact O-N 3.46Å; W366-A368 PolarHBondContact O-N 3.49Å; W366-A368 VanDerWaalsContact O-N 3.15Å
367	N	82.9	Confident	78.8	Confident	49 Å²	49	86.9 Å²	86.9	26%	0.262	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.4	179.8	-51.8	-59.7	0	0	0	113.9	K102 T137 A363 Y364	K102-N367 HydrophobicContact CB-CB 4.15Å; K102-N367 HydrophobicContact CD-CB 4.03Å; T137-N367 WeakPolarHBondContact CG2-ND2 3.41Å; T137-N367 WeakPolarHBondContact CG2-OD1 3.46Å; T137-N367 PolarHBondContact OG1-OD1 3.12Å; A363-N367 CarbonylContact O-C 3.54Å; A363-N367 PolarHBondContact O-N 3.41Å; A363-N367 VanDerWaalsContact O-N 3.13Å; Y364-N367 PolarHBondContact O-N 3.48Å; Y364-N367 VanDerWaalsContact O-N 3.11Å
368	A	82.2	Confident	77.9	Confident	24 Å²	24	79.7 Å²	79.7	20%	0.198	41%	0.41	C	S	.	.			trans	-91.1	-7.2	-177.1	0	0	0	0	0	113.5	E249 F253 A363 W366 D370 V371	E249-A368 HydrophobicContact CG-CB 4.38Å; F253-A368 HydrophobicContact CE2-CB 3.93Å; F253-A368 HydrophobicContact CZ-CB 4.41Å; A363-A368 PolarHBondContact O-N 2.84Å; W366-A368 PolarHBondContact O-N 3.49Å; W366-A368 VanDerWaalsContact O-N 3.15Å; A368-D370 PolarHBondContact O-N 3.38Å; A368-V371 PolarHBondContact O-N 3.47Å
369	Y	77.7	Confident	77.1	Confident	163 Å²	163	75.9 Å²	75.9	64%	0.639	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-37.9	-172.7	-163.5	-94.4	0	0	0	114.4	A363	A363-Y369 HydrophobicContact CB-CD2 4.19Å; A363-Y369 PolarHBondContact O-N 3.42Å
370	D	69.9	Low	75.8	Confident	71 Å²	71	73.3 Å²	73.3	38%	0.38	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.6	-174.2	-56.7	-42.7	0	0	0	113.8	K102 A368 E372 Q373	K102-D370 IonicContact NZ-OD2 2.89Å; K102-D370 PolarHBondContact NZ-OD2 3.31Å; A368-D370 PolarHBondContact O-N 3.38Å; D370-E372 PolarHBondContact O-N 2.91Å; D370-Q373 PolarHBondContact O-N 2.9Å
371	V	65.2	Low	74.9	Confident	68 Å²	68	73 Å²	73	41%	0.412	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-66.9	-25.8	-169.4	177.7	0	0	0	0	112.3	A368 Q373 V374	A368-V371 PolarHBondContact O-N 3.47Å; V371-Q373 VanDerWaalsContact C-N 3.26Å; V371-Q373 PolarHBondContact O-N 3.41Å; V371-V374 PolarHBondContact O-N 2.87Å
372	E	59.9	Low	74.2	Confident	190 Å²	190	73.1 Å²	73.1	89%	0.888	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-71	-16.1	-179.1	-66.8	-174.1	170.2	0	0	114.1	D370 V374	D370-E372 PolarHBondContact O-N 2.91Å; E372-V374 VanDerWaalsContact C-N 3.26Å; E372-V374 PolarHBondContact O-N 3.05Å
373	Q	54.7	Low	73.2	Confident	172 Å²	172	76.3 Å²	76.3	80%	0.804	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-77.3	-11.8	179.9	-68.6	-173.7	-7.9	0	0	113.5	D370 V371 S375	D370-Q373 PolarHBondContact O-N 2.9Å; V371-Q373 VanDerWaalsContact C-N 3.26Å; V371-Q373 PolarHBondContact O-N 3.41Å; Q373-S375 PolarHBondContact O-N 3.44Å
374	V	57.8	Low	72.2	Confident	68 Å²	68	79.8 Å²	79.8	41%	0.412	40%	0.4	S	S	.	.	S	Bend	trans	-82.7	115.1	177.2	-174.8	0	0	0	0	108.7	V371 E372 E376	V371-V374 PolarHBondContact O-N 2.87Å; E372-V374 VanDerWaalsContact C-N 3.26Å; E372-V374 PolarHBondContact O-N 3.05Å; V374-E376 PolarHBondContact O-N 3.06Å
375	S	58	Low	71.3	Confident	107 Å²	107	75.4 Å²	75.4	75%	0.748	39%	0.385	S	S	*	.			trans	-45.5	109.3	178.8	60.6	0	0	0	0	111.4	Q373	Q373-S375 PolarHBondContact O-N 3.44Å
376	E	71.2	Confident	70.4	Confident	94 Å²	94	76.3 Å²	76.3	44%	0.439	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-58.6	141.5	174	-67.9	-172.5	168.8	0	0	109.7	V374 T469 T471	V374-E376 PolarHBondContact O-N 3.06Å; E376-T469 WeakPolarHBondContact OE2-CB 3.26Å; E376-T471 VanDerWaalsContact CD-OG1 3.28Å; E376-T471 PolarHBondContact OE1-OG1 3.41Å; E376-T471 WeakPolarHBondContact OE2-CB 3.07Å; E376-T471 PolarHBondContact OE2-N 3.32Å; E376-T471 PolarHBondContact OE2-OG1 3.08Å
377	A	69.5	Low	69.6	Low	57 Å²	57	81.8 Å²	81.8	47%	0.471	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.6	145.3	171.7	0	0	0	0	0	109.9
378	V	75.7	Confident	69.1	Low	38 Å²	38	88.2 Å²	88.2	23%	0.23	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-64.8	139.9	169.8	179.3	0	0	0	0	108	Y382 E383 R468	V378-Y382 HydrophobicContact CG1-CD1 3.57Å; V378-Y382 HydrophobicContact CG1-CE1 4.48Å; V378-Y382 HydrophobicContact CG1-CG 4.14Å; V378-E383 HydrophobicContact CG1-CG 4.02Å; V378-R468 HydrophobicContact CG1-CG 4.18Å; V378-R468 HydrophobicContact CG2-CG 4.29Å
379	R	77.8	Confident	68.6	Low	21 Å²	21	92.1 Å²	92.1	8%	0.079	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-66.1	137.8	176.3	-69.9	178.8	73.8	-144.1	1.2	109.8	E381 Y382 R468 T469 Q470	R379-E381 WeakPolarHBondContact CB-OE2 3.41Å; R379-E381 IonicContact CZ-OE2 3.44Å; R379-E381 IonicContact NE-OE2 2.66Å; R379-E381 IonicContact NH2-OE2 2.77Å; R379-E381 PolarHBondContact O-N 3.23Å; R379-Y382 WeakPolarHBondContact O-CB 3.34Å; R379-Y382 PolarHBondContact O-N 2.96Å; R379-R468 PolarHBondContact N-O 3.29Å; R379-T469 VanDerWaalsContact CD-C 3.46Å; R379-T469 WeakPolarHBondContact CD-O 3.45Å; R379-Q470 HydrophobicContact CG-CB 4.41Å; R379-Q470 VanDerWaalsContact NE-OE1 3.1Å
380	P	67.7	Low	68.3	Low	30 Å²	30	87.3 Å²	87.3	20%	0.195	46%	0.461	C	S	.	.	H	α-helix	trans	-60	-34.6	-177.6	23.5	-32.5	0	0	0	112.5	Y382 E383	P380-Y382 PolarHBondContact O-N 3.45Å; P380-E383 PolarHBondContact O-N 3.46Å; P380-E383 VanDerWaalsContact O-N 3.13Å
381	E	72.3	Confident	68.6	Low	39 Å²	39	84.7 Å²	84.7	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-62.7	-31.4	178.3	-56.9	79.9	-168.9	0	0	112.5	R190 R379 E383 E384 E385	R190-E381 IonicContact CZ-OE1 2.64Å; R190-E381 IonicContact NH2-OE1 3.78Å; R190-E381 PolarHBondContact NH2-OE1 2.8Å; R379-E381 WeakPolarHBondContact CB-OE2 3.41Å; R379-E381 IonicContact CZ-OE2 3.44Å; R379-E381 IonicContact NE-OE2 2.66Å; R379-E381 IonicContact NH2-OE2 2.77Å; R379-E381 PolarHBondContact O-N 3.23Å; E381-E383 VanDerWaalsContact C-N 3.27Å; E381-E383 PolarHBondContact O-N 3.26Å; E381-E384 PolarHBondContact O-N 2.96Å; E381-E385 PolarHBondContact O-N 3.35Å
382	Y	76.9	Confident	69.2	Low	64 Å²	64	85 Å²	85	25%	0.251	46%	0.458	S	S	.	.	H	α-helix	trans	-69.8	-24.7	179	-174.5	-93.9	0	0	0	112.8	V378 R379 P380 R388 C466 R468	V378-Y382 HydrophobicContact CG1-CD1 3.57Å; V378-Y382 HydrophobicContact CG1-CE1 4.48Å; V378-Y382 HydrophobicContact CG1-CG 4.14Å; R379-Y382 WeakPolarHBondContact O-CB 3.34Å; R379-Y382 PolarHBondContact O-N 2.96Å; P380-Y382 PolarHBondContact O-N 3.45Å; Y382-R388 PolarHBondContact OH-NH2 3.47Å; Y382-R388 VanDerWaalsContact OH-NH2 3.14Å; Y382-C466 WeakPolarHBondContact CD2-O 3.45Å; Y382-C466 WeakPolarHBondContact CE2-O 3.35Å; Y382-R468 HydrophobicContact CD1-CB 4.3Å; Y382-R468 HydrophobicContact CD1-CG 4.03Å; Y382-R468 VanDerWaalsContact CD2-CA 3.48Å; Y382-R468 HydrophobicContact CD2-CB 4.02Å; Y382-R468 HydrophobicContact CE1-CB 4.16Å; Y382-R468 HydrophobicContact CE1-CG 3.89Å; Y382-R468 HydrophobicContact CE2-CB 3.85Å; Y382-R468 HydrophobicContact CE2-CG 4.49Å; Y382-R468 HydrophobicContact CG-CB 4.22Å; Y382-R468 HydrophobicContact CG-CG 4.4Å
383	E	70.1	Confident	70.1	Confident	72 Å²	72	78.5 Å²	78.5	34%	0.336	44%	0.442	S	S	.	.	H	α-helix	trans	-84.6	-21.4	179.1	-61.6	-169.6	174.8	0	0	113.1	H183 V378 P380 E381	H183-E383 IonicContact CE1-OE1 3.7Å; H183-E383 IonicContact CE1-OE2 3.96Å; H183-E383 PolarHBondContact CE1-OE2 3.28Å; H183-E383 VanDerWaalsContact CE1-OE2 3.28Å; H183-E383 IonicContact ND1-OE2 2.75Å; V378-E383 HydrophobicContact CG1-CG 4.02Å; P380-E383 PolarHBondContact O-N 3.46Å; P380-E383 VanDerWaalsContact O-N 3.13Å; E381-E383 VanDerWaalsContact C-N 3.27Å; E381-E383 PolarHBondContact O-N 3.26Å
384	E	68.6	Low	71.1	Confident	85 Å²	85	71.3 Å²	71.3	40%	0.397	41%	0.414	S	S	.	.	H	α-helix	trans	-87.3	-39.3	-178.5	-68.1	179.8	177.2	0	0	112.1	R190 E381	R190-E384 IonicContact NH1-OE2 3.27Å; E381-E384 PolarHBondContact O-N 2.96Å
385	E	69	Low	72.2	Confident	68 Å²	68	69.6 Å²	69.6	32%	0.318	40%	0.404	S	S	.	.			trans	-98.3	140.1	-169.3	-62.3	-174.2	174.2	0	0	114	E381 W387	E381-E385 PolarHBondContact O-N 3.35Å; E385-W387 HydrophobicContact CB-CD2 4.43Å; E385-W387 HydrophobicContact CB-CZ2 4.23Å; E385-W387 HydrophobicContact CG-CH2 3.95Å; E385-W387 HydrophobicContact CG-CZ2 3.65Å; E385-W387 VanDerWaalsContact OE1-CZ2 3.24Å; E385-W387 WeakPolarHBondContact OE1-CZ2 3.31Å; E385-W387 VanDerWaalsContact OE2-CE2 3.3Å; E385-W387 WeakPolarHBondContact OE2-CZ2 3.41Å; E385-W387 PolarHBondContact OE2-NE1 3.01Å
386	S	65.4	Low	73.3	Confident	113 Å²	113	70.8 Å²	70.8	79%	0.79	40%	0.399	S	S	*	.			trans	-104.5	-17.1	177.9	59.8	0	0	0	0	114
387	W	68.8	Low	73.8	Confident	125 Å²	125	71.7 Å²	71.7	47%	0.473	41%	0.406	S	S	.	.			trans	-79.5	146	178.5	59.1	73.7	0	0	0	111.2	E385	E385-W387 HydrophobicContact CB-CD2 4.43Å; E385-W387 HydrophobicContact CB-CZ2 4.23Å; E385-W387 HydrophobicContact CG-CH2 3.95Å; E385-W387 HydrophobicContact CG-CZ2 3.65Å; E385-W387 VanDerWaalsContact OE1-CZ2 3.24Å; E385-W387 WeakPolarHBondContact OE1-CZ2 3.31Å; E385-W387 VanDerWaalsContact OE2-CE2 3.3Å; E385-W387 WeakPolarHBondContact OE2-CZ2 3.41Å; E385-W387 PolarHBondContact OE2-NE1 3.01Å
388	R	72.7	Confident	74.1	Confident	184 Å²	184	69.8 Å²	69.8	69%	0.694	39%	0.388	S	S	*	.			trans	-136.8	97.2	173.3	-62.7	178.8	-175.8	166.1	2.2	106.8	Y382	Y382-R388 PolarHBondContact OH-NH2 3.47Å; Y382-R388 VanDerWaalsContact OH-NH2 3.14Å
389	I	71.4	Confident	74.3	Confident	105 Å²	105	70.1 Å²	70.1	54%	0.538	39%	0.39	S	S	.	.			trans	-99.9	123.8	178.4	-59.2	174.9	0	0	0	107.1	S391 F464	I389-S391 PolarHBondContact O-N 3.04Å; I389-F464 PolarHBondContact N-O 2.92Å
390	G	73	Confident	74.7	Confident	62 Å²	62	73.8 Å²	73.8	64%	0.639	41%	0.411	S	S	*	.			trans	-65	133.8	174.4	0	0	0	0	0	110.5	A392	G390-A392 PolarHBondContact O-N 3.35Å
391	S	75.3	Confident	75.4	Confident	16 Å²	16	75.9 Å²	75.9	11%	0.112	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7	179	67.3	0	0	0	0	114.5	I389 G393 G394 V395 E465 K480	I389-S391 PolarHBondContact O-N 3.04Å; S391-G393 VanDerWaalsContact C-N 3.28Å; S391-G393 PolarHBondContact O-N 3.46Å; S391-G394 WeakPolarHBondContact O-CA 3.49Å; S391-G394 PolarHBondContact O-N 2.82Å; S391-V395 WeakPolarHBondContact O-CG2 3.47Å; S391-V395 PolarHBondContact O-N 2.81Å; S391-E465 WeakPolarHBondContact CB-OE1 3.38Å; S391-E465 PolarHBondContact OG-OE1 3.12Å; S391-K480 WeakPolarHBondContact OG-CE 3.34Å; S391-K480 PolarHBondContact OG-NZ 3.48Å
392	A	76.9	Confident	75.9	Confident	75 Å²	75	74.1 Å²	74.1	62%	0.62	41%	0.411	S	S	*	.	H	α-helix	trans	-53.6	-43.4	-170.6	0	0	0	0	0	112.8	G390 V395 M396	G390-A392 PolarHBondContact O-N 3.35Å; A392-V395 PolarHBondContact O-N 2.79Å; A392-M396 WeakPolarHBondContact O-CB 3.22Å; A392-M396 PolarHBondContact O-N 2.87Å
393	G	78.6	Confident	76.1	Confident	53 Å²	53	75.4 Å²	75.4	55%	0.546	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-39.5	176.8	0	0	0	0	0	113.1	S391 M396 L397	S391-G393 VanDerWaalsContact C-N 3.28Å; S391-G393 PolarHBondContact O-N 3.46Å; G393-M396 PolarHBondContact O-N 3.18Å; G393-L397 WeakPolarHBondContact O-CB 3.47Å; G393-L397 PolarHBondContact O-N 2.9Å
394	G	77.7	Confident	76.9	Confident	21 Å²	21	76 Å²	76	22%	0.216	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-41.8	175.5	0	0	0	0	0	112.4	S391 L397 L398	S391-G394 WeakPolarHBondContact O-CA 3.49Å; S391-G394 PolarHBondContact O-N 2.82Å; G394-L397 PolarHBondContact O-N 3.34Å; G394-L398 WeakPolarHBondContact O-CD1 3.39Å; G394-L398 WeakPolarHBondContact O-CG 3.29Å; G394-L398 PolarHBondContact O-N 3.45Å; G394-L398 VanDerWaalsContact O-N 3.08Å
395	V	79.2	Confident	77.6	Confident	33 Å²	33	73 Å²	73	20%	0.2	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-44.5	175.2	177.3	0	0	0	0	110.6	S391 A392 L397 L398 V399 K480	S391-V395 WeakPolarHBondContact O-CG2 3.47Å; S391-V395 PolarHBondContact O-N 2.81Å; A392-V395 PolarHBondContact O-N 2.79Å; V395-L397 PolarHBondContact O-N 3.46Å; V395-L398 PolarHBondContact O-N 3.22Å; V395-V399 WeakPolarHBondContact O-CG2 3.39Å; V395-V399 PolarHBondContact O-N 3.48Å; V395-K480 HydrophobicContact CG2-CD 4.3Å; V395-K480 HydrophobicContact CG2-CG 4.09Å
396	M	81.7	Confident	78.2	Confident	131 Å²	131	71.3 Å²	71.3	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-43.9	178.3	-169	-177.1	-170.1	0	0	112.1	A392 G393 L398 V399 L400	A392-M396 WeakPolarHBondContact O-CB 3.22Å; A392-M396 PolarHBondContact O-N 2.87Å; G393-M396 PolarHBondContact O-N 3.18Å; M396-L398 VanDerWaalsContact C-N 3.29Å; M396-L398 PolarHBondContact O-N 3.34Å; M396-V399 PolarHBondContact O-N 2.61Å; M396-L400 HydrophobicContact CG-CD1 4.45Å; M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 3.08Å
397	L	81.2	Confident	79	Confident	114 Å²	114	71 Å²	71	60%	0.597	40%	0.4	S	S	*	.	H	α-helix	trans	-59	-42	175.8	-176	153.1	0	0	0	111.5	G393 G394 V395 L400 M401	G393-L397 WeakPolarHBondContact O-CB 3.47Å; G393-L397 PolarHBondContact O-N 2.9Å; G394-L397 PolarHBondContact O-N 3.34Å; V395-L397 PolarHBondContact O-N 3.46Å; L397-L400 WeakPolarHBondContact O-CB 3.31Å; L397-L400 PolarHBondContact O-N 3.4Å; L397-M401 PolarHBondContact O-N 3.4Å
398	L	77.1	Confident	79.8	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-71.3	-36.3	-179.9	-66.7	167.6	0	0	0	112.2	G394 V395 M396 L400 M401 V402 Y454 L461	G394-L398 WeakPolarHBondContact O-CD1 3.39Å; G394-L398 WeakPolarHBondContact O-CG 3.29Å; G394-L398 PolarHBondContact O-N 3.45Å; G394-L398 VanDerWaalsContact O-N 3.08Å; V395-L398 PolarHBondContact O-N 3.22Å; M396-L398 VanDerWaalsContact C-N 3.29Å; M396-L398 PolarHBondContact O-N 3.34Å; L398-L400 VanDerWaalsContact C-N 3.33Å; L398-M401 WeakPolarHBondContact O-CB 3.07Å; L398-M401 PolarHBondContact O-N 2.87Å; L398-V402 PolarHBondContact O-N 2.94Å; L398-V402 VanDerWaalsContact O-N 3.1Å; L398-Y454 HydrophobicContact CB-CD2 3.87Å; L398-Y454 HydrophobicContact CB-CE2 3.57Å; L398-Y454 HydrophobicContact CD1-CD2 3.62Å; L398-Y454 HydrophobicContact CD1-CE2 3.32Å; L398-Y454 HydrophobicContact CD2-CD2 4.15Å; L398-Y454 HydrophobicContact CG-CD2 4.08Å; L398-Y454 HydrophobicContact CG-CE2 3.96Å; L398-L461 HydrophobicContact CD1-CD1 3.52Å
399	V	79.9	Confident	80.3	Confident	45 Å²	45	59.4 Å²	59.4	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-42.4	171.4	172.1	0	0	0	0	110.6	V395 M396 M401 V402 M403 L487	V395-V399 WeakPolarHBondContact O-CG2 3.39Å; V395-V399 PolarHBondContact O-N 3.48Å; M396-V399 PolarHBondContact O-N 2.61Å; V399-M401 VanDerWaalsContact C-N 3.3Å; V399-M401 PolarHBondContact O-N 3.46Å; V399-V402 PolarHBondContact O-N 3.3Å; V399-M403 WeakPolarHBondContact O-CG 3.33Å; V399-M403 PolarHBondContact O-N 3.19Å; V399-L487 HydrophobicContact CG1-CD1 4.08Å; V399-L487 HydrophobicContact CG2-CD1 4.12Å
400	L	85.6	Confident	80.6	Confident	98 Å²	98	56.4 Å²	56.4	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-36.5	174.5	-70.3	169.7	0	0	0	112.1	M396 L397 L398 M403 T404	M396-L400 HydrophobicContact CG-CD1 4.45Å; M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 3.08Å; L397-L400 WeakPolarHBondContact O-CB 3.31Å; L397-L400 PolarHBondContact O-N 3.4Å; L398-L400 VanDerWaalsContact C-N 3.33Å; L400-M403 PolarHBondContact O-N 3.24Å; L400-T404 WeakPolarHBondContact O-CB 3.35Å; L400-T404 VanDerWaalsContact O-CG2 3.31Å; L400-T404 WeakPolarHBondContact O-CG2 2.99Å; L400-T404 PolarHBondContact O-N 3.38Å; L400-T404 PolarHBondContact O-OG1 3.32Å
401	M	82.5	Confident	80.9	Confident	73 Å²	73	55.9 Å²	55.9	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-42.1	173.6	-170.4	-169	-177.6	0	0	111.9	L397 L398 V399 T404 A405 L450	L397-M401 PolarHBondContact O-N 3.4Å; L398-M401 WeakPolarHBondContact O-CB 3.07Å; L398-M401 PolarHBondContact O-N 2.87Å; V399-M401 VanDerWaalsContact C-N 3.3Å; V399-M401 PolarHBondContact O-N 3.46Å; M401-T404 WeakPolarHBondContact CA-OG1 3.33Å; M401-T404 PolarHBondContact O-OG1 2.88Å; M401-A405 WeakPolarHBondContact O-CB 3.23Å; M401-A405 PolarHBondContact O-N 3.45Å; M401-L450 HydrophobicContact CE-CD2 3.34Å; M401-L450 HydrophobicContact CG-CD2 4.46Å; M401-L450 HydrophobicContact SD-CD2 3.99Å
402	V	81.7	Confident	81.3	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-46.2	175.3	177.9	0	0	0	0	110.8	L398 V399 T404 A405 M406 F484 L487 N488	L398-V402 PolarHBondContact O-N 2.94Å; L398-V402 VanDerWaalsContact O-N 3.1Å; V399-V402 PolarHBondContact O-N 3.3Å; V402-T404 VanDerWaalsContact C-N 3.35Å; V402-T404 PolarHBondContact O-N 3.44Å; V402-A405 PolarHBondContact O-N 2.75Å; V402-M406 HydrophobicContact CG1-CG 4.41Å; V402-M406 HydrophobicContact CG1-SD 4.19Å; V402-M406 WeakPolarHBondContact O-CG 3.32Å; V402-M406 PolarHBondContact O-N 2.78Å; V402-F484 HydrophobicContact CG2-CD2 3.61Å; V402-F484 HydrophobicContact CG2-CE2 3.19Å; V402-F484 HydrophobicContact CG2-CZ 4.06Å; V402-L487 HydrophobicContact CG1-CB 4.3Å; V402-N488 HydrophobicContact CG1-CB 4.48Å
403	M	82.6	Confident	81.3	Confident	90 Å²	90	56.4 Å²	56.4	44%	0.443	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-41.6	179.6	-66	-56.7	-64.6	0	0	112.1	V399 L400 M406 I407	V399-M403 WeakPolarHBondContact O-CG 3.33Å; V399-M403 PolarHBondContact O-N 3.19Å; L400-M403 PolarHBondContact O-N 3.24Å; M403-M406 PolarHBondContact O-N 2.99Å; M403-M406 HydrophobicContact SD-SD 4.39Å; M403-I407 VanDerWaalsContact O-CG1 3.28Å; M403-I407 WeakPolarHBondContact O-CG1 3.26Å; M403-I407 PolarHBondContact O-N 3.43Å
404	T	85.4	Confident	81.1	Confident	86 Å²	86	56.5 Å²	56.5	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-39.7	175.9	50	0	0	0	0	112	L400 M401 V402 I407 A408	L400-T404 WeakPolarHBondContact O-CB 3.35Å; L400-T404 VanDerWaalsContact O-CG2 3.31Å; L400-T404 WeakPolarHBondContact O-CG2 2.99Å; L400-T404 PolarHBondContact O-N 3.38Å; L400-T404 PolarHBondContact O-OG1 3.32Å; M401-T404 WeakPolarHBondContact CA-OG1 3.33Å; M401-T404 PolarHBondContact O-OG1 2.88Å; V402-T404 VanDerWaalsContact C-N 3.35Å; V402-T404 PolarHBondContact O-N 3.44Å; T404-I407 PolarHBondContact O-N 3.34Å; T404-A408 WeakPolarHBondContact O-CB 3.22Å; T404-A408 PolarHBondContact O-N 2.95Å
405	A	84.3	Confident	81.2	Confident	21 Å²	21	62.1 Å²	62.1	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-40.8	173	0	0	0	0	0	112.1	M401 V402 A408 L409 V446 L450	M401-A405 WeakPolarHBondContact O-CB 3.23Å; M401-A405 PolarHBondContact O-N 3.45Å; V402-A405 PolarHBondContact O-N 2.75Å; A405-A408 PolarHBondContact O-N 3.27Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 2.94Å; A405-V446 HydrophobicContact CB-CG1 4.21Å; A405-L450 HydrophobicContact CB-CD1 3.76Å
406	M	80.7	Confident	81.2	Confident	33 Å²	33	62 Å²	62	16%	0.163	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-44.2	174.7	-73	-179.2	64.8	0	0	111.9	V402 M403 A408 L409 I410 G491	V402-M406 HydrophobicContact CG1-CG 4.41Å; V402-M406 HydrophobicContact CG1-SD 4.19Å; V402-M406 WeakPolarHBondContact O-CG 3.32Å; V402-M406 PolarHBondContact O-N 2.78Å; M403-M406 PolarHBondContact O-N 2.99Å; M403-M406 HydrophobicContact SD-SD 4.39Å; M406-A408 VanDerWaalsContact C-N 3.32Å; M406-A408 PolarHBondContact O-N 3.48Å; M406-L409 PolarHBondContact O-N 2.94Å; M406-I410 WeakPolarHBondContact O-CG1 3.37Å; M406-I410 PolarHBondContact O-N 3.39Å; M406-I410 VanDerWaalsContact O-N 3.15Å; M406-G491 WeakPolarHBondContact CE-O 3.11Å
407	I	84	Confident	80.7	Confident	107 Å²	107	57 Å²	57	55%	0.549	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-39.3	175.3	-66	164	0	0	0	111	M403 T404 I410 A411	M403-I407 VanDerWaalsContact O-CG1 3.28Å; M403-I407 WeakPolarHBondContact O-CG1 3.26Å; M403-I407 PolarHBondContact O-N 3.43Å; T404-I407 PolarHBondContact O-N 3.34Å; I407-I410 WeakPolarHBondContact O-CB 3.42Å; I407-I410 PolarHBondContact O-N 3.27Å; I407-A411 PolarHBondContact O-N 3.07Å
408	A	85.4	Confident	80.2	Confident	46 Å²	46	53.3 Å²	53.3	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-39.7	176.4	0	0	0	0	0	112.2	T404 A405 M406 I410 A411 I412	T404-A408 WeakPolarHBondContact O-CB 3.22Å; T404-A408 PolarHBondContact O-N 2.95Å; A405-A408 PolarHBondContact O-N 3.27Å; M406-A408 VanDerWaalsContact C-N 3.32Å; M406-A408 PolarHBondContact O-N 3.48Å; A408-I410 VanDerWaalsContact C-N 3.32Å; A408-I410 PolarHBondContact O-N 3.5Å; A408-A411 PolarHBondContact O-N 2.92Å; A408-I412 WeakPolarHBondContact O-CB 3.14Å; A408-I412 WeakPolarHBondContact O-CD1 3.39Å; A408-I412 VanDerWaalsContact O-CG1 3.23Å; A408-I412 WeakPolarHBondContact O-CG1 3.14Å; A408-I412 PolarHBondContact O-N 3.03Å
409	L	81.6	Confident	80.3	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-38.6	175	-72.2	172.4	0	0	0	112.1	A405 M406 I412 R413 C442 T443 V446	A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 2.94Å; M406-L409 PolarHBondContact O-N 2.94Å; L409-I412 PolarHBondContact O-N 2.8Å; L409-R413 PolarHBondContact O-N 2.94Å; L409-C442 HydrophobicContact CD2-CB 4.47Å; L409-T443 HydrophobicContact CD1-CG2 4.08Å; L409-V446 HydrophobicContact CD1-CG1 4.41Å; L409-V446 HydrophobicContact CD2-CG2 4.15Å
410	I	77.7	Confident	80.1	Confident	42 Å²	42	56.2 Å²	56.2	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-46.8	173.3	-67	164.6	0	0	0	110.5	M406 I407 A408 I412 R413 I414 Y495 E515	M406-I410 WeakPolarHBondContact O-CG1 3.37Å; M406-I410 PolarHBondContact O-N 3.39Å; M406-I410 VanDerWaalsContact O-N 3.15Å; I407-I410 WeakPolarHBondContact O-CB 3.42Å; I407-I410 PolarHBondContact O-N 3.27Å; A408-I410 VanDerWaalsContact C-N 3.32Å; A408-I410 PolarHBondContact O-N 3.5Å; I410-I412 PolarHBondContact O-N 3.14Å; I410-R413 WeakPolarHBondContact O-CB 3.17Å; I410-R413 PolarHBondContact O-N 2.99Å; I410-I414 HydrophobicContact CG2-CD1 4.5Å; I410-I414 PolarHBondContact O-N 3.16Å; I410-Y495 HydrophobicContact CD1-CD1 4.39Å; I410-Y495 HydrophobicContact CD1-CD2 3.8Å; I410-Y495 HydrophobicContact CD1-CE1 3.99Å; I410-Y495 HydrophobicContact CD1-CE2 3.34Å; I410-Y495 HydrophobicContact CD1-CG 4.3Å; I410-Y495 VanDerWaalsContact CD1-CZ 3.45Å; I410-Y495 HydrophobicContact CG1-CD1 4.33Å; I410-Y495 HydrophobicContact CG1-CE1 3.78Å; I410-Y495 HydrophobicContact CG1-CE2 4.06Å; I410-E515 WeakPolarHBondContact CG2-OE1 3.3Å
411	A	80.4	Confident	79.2	Confident	50 Å²	50	53 Å²	53	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-45.7	177.4	0	0	0	0	0	111.7	I407 A408 R413 I414 E415	I407-A411 PolarHBondContact O-N 3.07Å; A408-A411 PolarHBondContact O-N 2.92Å; A411-R413 PolarHBondContact O-N 2.82Å; A411-I414 PolarHBondContact O-N 3.34Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A411-E415 WeakPolarHBondContact O-CG 3.26Å; A411-E415 PolarHBondContact O-N 3.31Å; A411-E415 VanDerWaalsContact O-N 3.09Å
412	I	82.4	Confident	78.7	Confident	74 Å²	74	54.3 Å²	54.3	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-38.3	177.2	-71.9	164.8	0	0	0	111.3	A408 L409 I410 E415 I416	A408-I412 WeakPolarHBondContact O-CB 3.14Å; A408-I412 WeakPolarHBondContact O-CD1 3.39Å; A408-I412 VanDerWaalsContact O-CG1 3.23Å; A408-I412 WeakPolarHBondContact O-CG1 3.14Å; A408-I412 PolarHBondContact O-N 3.03Å; L409-I412 PolarHBondContact O-N 2.8Å; I410-I412 PolarHBondContact O-N 3.14Å; I412-E415 PolarHBondContact O-N 3.48Å; I412-I416 HydrophobicContact CG2-CD1 3.49Å; I412-I416 VanDerWaalsContact CG2-CD1 3.49Å; I412-I416 HydrophobicContact CG2-CG1 4.1Å; I412-I416 WeakPolarHBondContact O-CB 3.4Å; I412-I416 VanDerWaalsContact O-CG1 3.26Å; I412-I416 WeakPolarHBondContact O-CG1 3.3Å; I412-I416 PolarHBondContact O-N 3.06Å
413	R	77.8	Confident	78.5	Confident	29 Å²	29	60.6 Å²	60.6	11%	0.109	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-47.7	176.3	167.1	171.4	-151.3	167.3	23.1	112.5	L409 I410 A411 E415 I416 Y417 I439 E515 E525	L409-R413 PolarHBondContact O-N 2.94Å; I410-R413 WeakPolarHBondContact O-CB 3.17Å; I410-R413 PolarHBondContact O-N 2.99Å; A411-R413 PolarHBondContact O-N 2.82Å; R413-E415 VanDerWaalsContact C-N 3.3Å; R413-E415 PolarHBondContact O-N 3.38Å; R413-I416 PolarHBondContact O-N 3.36Å; R413-Y417 WeakPolarHBondContact O-CB 3.34Å; R413-Y417 PolarHBondContact O-N 3.4Å; R413-I439 HydrophobicContact CB-CD1 3.5Å; R413-I439 VanDerWaalsContact CB-CD1 3.5Å; R413-I439 HydrophobicContact CB-CG1 4.19Å; R413-I439 HydrophobicContact CG-CD1 3.38Å; R413-E515 WeakPolarHBondContact CD-OE1 3.09Å; R413-E515 IonicContact CZ-OE2 2.62Å; R413-E515 IonicContact NH1-OE2 2.99Å; R413-E515 PolarHBondContact NH1-OE2 3.18Å; R413-E515 VanDerWaalsContact NH1-OE2 3.09Å; R413-E525 IonicContact CZ-OE1 3.07Å; R413-E525 IonicContact CZ-OE2 3.09Å; R413-E525 IonicContact NH1-OE1 3.68Å; R413-E525 PolarHBondContact NH1-OE1 3.27Å; R413-E525 IonicContact NH1-OE2 2.97Å; R413-E525 IonicContact NH2-OE1 2.73Å; R413-E525 PolarHBondContact NH2-OE1 2.03Å; R413-E525 IonicContact NH2-OE2 3.94Å; R413-E525 PolarHBondContact NH2-OE2 3.24Å
414	I	74.6	Confident	77.9	Confident	55 Å²	55	57.4 Å²	57.4	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-44	179.6	-66.5	173	0	0	0	109.6	I410 A411 Y417 G418 L513	I410-I414 HydrophobicContact CG2-CD1 4.5Å; I410-I414 PolarHBondContact O-N 3.16Å; A411-I414 PolarHBondContact O-N 3.34Å; A411-I414 VanDerWaalsContact O-N 3.15Å; I414-Y417 PolarHBondContact O-N 2.84Å; I414-G418 PolarHBondContact O-N 3.47Å; I414-G418 VanDerWaalsContact O-N 3.13Å; I414-L513 HydrophobicContact CG2-CD2 3.79Å
415	E	79.8	Confident	77.5	Confident	139 Å²	139	56 Å²	56	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-66.7	-45.4	178.8	-65	-62.3	159.5	0	0	112.9	A411 I412 R413 Y417 G418 L419	A411-E415 WeakPolarHBondContact O-CG 3.26Å; A411-E415 PolarHBondContact O-N 3.31Å; A411-E415 VanDerWaalsContact O-N 3.09Å; I412-E415 PolarHBondContact O-N 3.48Å; R413-E415 VanDerWaalsContact C-N 3.3Å; R413-E415 PolarHBondContact O-N 3.38Å; E415-Y417 VanDerWaalsContact C-N 3.3Å; E415-Y417 PolarHBondContact O-N 3.48Å; E415-G418 PolarHBondContact O-N 3.3Å; E415-L419 WeakPolarHBondContact O-CB 3.33Å; E415-L419 PolarHBondContact O-N 3.48Å
416	I	79.5	Confident	77.2	Confident	31 Å²	31	60.8 Å²	60.8	16%	0.159	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-41.5	178.2	-71.6	171.1	0	0	0	110.6	I412 R413 L419 L420 T435 V438	I412-I416 HydrophobicContact CG2-CD1 3.49Å; I412-I416 VanDerWaalsContact CG2-CD1 3.49Å; I412-I416 HydrophobicContact CG2-CG1 4.1Å; I412-I416 WeakPolarHBondContact O-CB 3.4Å; I412-I416 VanDerWaalsContact O-CG1 3.26Å; I412-I416 WeakPolarHBondContact O-CG1 3.3Å; I412-I416 PolarHBondContact O-N 3.06Å; R413-I416 PolarHBondContact O-N 3.36Å; I416-L419 PolarHBondContact O-N 3.4Å; I416-L420 HydrophobicContact CG2-CD1 3.67Å; I416-L420 HydrophobicContact CG2-CG 4.17Å; I416-L420 WeakPolarHBondContact O-CB 3.46Å; I416-L420 WeakPolarHBondContact O-CG 3.21Å; I416-L420 PolarHBondContact O-N 3.02Å; I416-T435 HydrophobicContact CG2-CG2 3.99Å; I416-V438 HydrophobicContact CD1-CG1 3.82Å
417	Y	71.7	Confident	76.9	Confident	25 Å²	25	64.1 Å²	64.1	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-45.5	176.8	-175.9	-98.4	0	0	0	111.3	R413 I414 E415 R421 Q431 F432 L513	R413-Y417 WeakPolarHBondContact O-CB 3.34Å; R413-Y417 PolarHBondContact O-N 3.4Å; I414-Y417 PolarHBondContact O-N 2.84Å; E415-Y417 VanDerWaalsContact C-N 3.3Å; E415-Y417 PolarHBondContact O-N 3.48Å; Y417-R421 WeakPolarHBondContact O-CB 3.24Å; Y417-R421 PolarHBondContact O-N 2.83Å; Y417-R421 PolarHBondContact OH-NH1 3.36Å; Y417-Q431 HydrophobicContact CE2-CG 4.11Å; Y417-Q431 PolarHBondContact OH-OE1 2.89Å; Y417-F432 HydrophobicContact CE2-CD1 4.35Å; Y417-F432 AromaticContact CE2-CE1 3.89Å; Y417-F432 HydrophobicContact CE2-CE1 3.89Å; Y417-F432 HydrophobicContact CE2-CZ 4.12Å; Y417-L513 HydrophobicContact CD1-CD2 4.25Å
418	G	70.8	Confident	76.1	Confident	37 Å²	37	61.4 Å²	61.4	38%	0.381	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-42.7	174.3	0	0	0	0	0	113.1	I414 E415 R421 S422	I414-G418 PolarHBondContact O-N 3.47Å; I414-G418 VanDerWaalsContact O-N 3.13Å; E415-G418 PolarHBondContact O-N 3.3Å; G418-R421 WeakPolarHBondContact O-CB 3.46Å; G418-S422 PolarHBondContact O-N 3.45Å
419	L	79.2	Confident	75.3	Confident	104 Å²	104	64 Å²	64	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-68.1	-48.9	-178.9	-177.5	66.8	0	0	0	112.7	E415 I416 R421 S422 F423	E415-L419 WeakPolarHBondContact O-CB 3.33Å; E415-L419 PolarHBondContact O-N 3.48Å; I416-L419 PolarHBondContact O-N 3.4Å; L419-R421 PolarHBondContact O-N 2.93Å; L419-S422 VanDerWaalsContact O-CB 3.32Å; L419-S422 WeakPolarHBondContact O-CB 3.17Å; L419-S422 PolarHBondContact O-N 3.33Å; L419-F423 HydrophobicContact CD1-CE2 4.12Å; L419-F423 HydrophobicContact CD1-CZ 4.47Å; L419-F423 HydrophobicContact CD2-CE2 4.49Å; L419-F423 HydrophobicContact CG-CE2 3.92Å; L419-F423 WeakPolarHBondContact O-CD2 3.36Å
420	L	75.5	Confident	74.8	Confident	18 Å²	18	68.7 Å²	68.7	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-36.3	179.8	-75.5	173.5	0	0	0	111.6	I416 S422 F423 W427 V434 T435	I416-L420 HydrophobicContact CG2-CD1 3.67Å; I416-L420 HydrophobicContact CG2-CG 4.17Å; I416-L420 WeakPolarHBondContact O-CB 3.46Å; I416-L420 WeakPolarHBondContact O-CG 3.21Å; I416-L420 PolarHBondContact O-N 3.02Å; L420-S422 VanDerWaalsContact C-N 3.31Å; L420-S422 PolarHBondContact O-N 2.87Å; L420-F423 PolarHBondContact O-N 3.44Å; L420-W427 HydrophobicContact CD2-CD2 4.14Å; L420-W427 HydrophobicContact CD2-CE3 3.63Å; L420-W427 HydrophobicContact CD2-CZ3 4.11Å; L420-W427 WeakPolarHBondContact O-CB 3.47Å; L420-V434 HydrophobicContact CD1-CB 4.27Å; L420-V434 HydrophobicContact CD1-CG1 3.83Å; L420-V434 HydrophobicContact CD2-CG1 4.3Å; L420-T435 VanDerWaalsContact CD1-OG1 3.25Å; L420-T435 WeakPolarHBondContact CD1-OG1 3.35Å
421	R	66	Low	74.5	Confident	31 Å²	31	67.4 Å²	67.4	12%	0.117	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-40.5	172.7	-168.3	-163.5	-164.3	82.2	26.4	112.5	C309 N313 C314 Y417 G418 L419 F423 G424 L428	C309-R421 VanDerWaalsContact CB-NH1 3.34Å; C309-R421 PolarHBondContact SG-NH1 2.94Å; C309-R421 PolarHBondContact SG-NH2 3.01Å; N313-R421 PolarHBondContact O-NE 3.1Å; N313-R421 PolarHBondContact O-NH2 2.98Å; C314-R421 VanDerWaalsContact CA-NH2 3.26Å; C314-R421 PolarHBondContact SG-NE 2.89Å; C314-R421 PolarHBondContact SG-NH2 3.37Å; Y417-R421 WeakPolarHBondContact O-CB 3.24Å; Y417-R421 PolarHBondContact O-N 2.83Å; Y417-R421 PolarHBondContact OH-NH1 3.36Å; G418-R421 WeakPolarHBondContact O-CB 3.46Å; L419-R421 PolarHBondContact O-N 2.93Å; R421-F423 PolarHBondContact O-N 2.87Å; R421-G424 PolarHBondContact O-N 3.44Å; R421-G424 VanDerWaalsContact O-N 3.16Å; R421-L428 HydrophobicContact CG-CD1 4.21Å
422	S	71.2	Confident	74.1	Confident	101 Å²	101	68 Å²	68	71%	0.706	35%	0.354	S	S	*	.	H	α-helix	trans	-62.7	-25.3	-179	-172.8	0	0	0	0	113.4	G418 L419 L420 G424	G418-S422 PolarHBondContact O-N 3.45Å; L419-S422 VanDerWaalsContact O-CB 3.32Å; L419-S422 WeakPolarHBondContact O-CB 3.17Å; L419-S422 PolarHBondContact O-N 3.33Å; L420-S422 VanDerWaalsContact C-N 3.31Å; L420-S422 PolarHBondContact O-N 2.87Å; S422-G424 VanDerWaalsContact C-N 3.31Å
423	F	78.2	Confident	73.7	Confident	134 Å²	134	68.9 Å²	68.9	59%	0.588	36%	0.357	S	S	*	.	H	α-helix	trans	-75.9	-19.6	178.8	-72.3	-64.8	0	0	0	113.4	L419 L420 R421 W427	L419-F423 HydrophobicContact CD1-CE2 4.12Å; L419-F423 HydrophobicContact CD1-CZ 4.47Å; L419-F423 HydrophobicContact CD2-CE2 4.49Å; L419-F423 HydrophobicContact CG-CE2 3.92Å; L419-F423 WeakPolarHBondContact O-CD2 3.36Å; L420-F423 PolarHBondContact O-N 3.44Å; R421-F423 PolarHBondContact O-N 2.87Å; F423-W427 HydrophobicContact CB-CB 4.27Å; F423-W427 VanDerWaalsContact CB-CD1 3.45Å; F423-W427 HydrophobicContact CB-CG 4Å
424	G	70.9	Confident	73.8	Confident	23 Å²	23	69.2 Å²	69.2	24%	0.237	36%	0.362	C	S	.	.			trans	60.6	-173.5	-179.2	0	0	0	0	0	114.2	R421 S422 F426 W427	R421-G424 PolarHBondContact O-N 3.44Å; R421-G424 VanDerWaalsContact O-N 3.16Å; S422-G424 VanDerWaalsContact C-N 3.31Å; G424-F426 PolarHBondContact O-N 2.75Å; G424-W427 PolarHBondContact O-N 3.41Å
425	G	76.8	Confident	74	Confident	57 Å²	57	66.8 Å²	66.8	59%	0.588	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-128.3	175.5	0	0	0	0	0	113.8	W427 L428 I429	G425-W427 PolarHBondContact O-N 3.06Å; G425-L428 WeakPolarHBondContact O-CB 3.36Å; G425-L428 PolarHBondContact O-N 3.36Å; G425-I429 PolarHBondContact O-N 3.46Å
426	F	77	Confident	74	Confident	122 Å²	122	60.5 Å²	60.5	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-51.7	-41.4	179.2	174.7	-93.4	0	0	0	112.6	G424 L428 I429 Y430	G424-F426 PolarHBondContact O-N 2.75Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 PolarHBondContact O-N 3.43Å; F426-I429 PolarHBondContact O-N 3.43Å; F426-Y430 HydrophobicContact CD1-CD2 4.29Å; F426-Y430 AromaticContact CD2-CD2 3.54Å; F426-Y430 HydrophobicContact CD2-CD2 3.54Å; F426-Y430 AromaticContact CD2-CE2 3.6Å; F426-Y430 HydrophobicContact CD2-CE2 3.6Å; F426-Y430 HydrophobicContact CE1-CD2 4.02Å; F426-Y430 AromaticContact CE2-CD2 3.22Å; F426-Y430 HydrophobicContact CE2-CD2 3.22Å; F426-Y430 AromaticContact CE2-CE2 3.23Å; F426-Y430 HydrophobicContact CE2-CE2 3.23Å; F426-Y430 HydrophobicContact CE2-CG 4.25Å; F426-Y430 HydrophobicContact CG-CD2 4.07Å; F426-Y430 AromaticContact CZ-CD2 3.48Å; F426-Y430 HydrophobicContact CZ-CD2 3.48Å; F426-Y430 VanDerWaalsContact CZ-CD2 3.48Å; F426-Y430 AromaticContact CZ-CE2 3.91Å; F426-Y430 HydrophobicContact CZ-CE2 3.91Å; F426-Y430 HydrophobicContact CZ-CG 4.12Å; F426-Y430 WeakPolarHBondContact O-CD2 3.25Å; F426-Y430 PolarHBondContact O-N 3.31Å; F426-Y430 VanDerWaalsContact O-N 3.1Å
427	W	73.7	Confident	74.1	Confident	103 Å²	103	65.5 Å²	65.5	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-29.7	-178.3	-57.2	106.9	0	0	0	112.7	L420 F423 G424 G425 Q431 V434	L420-W427 HydrophobicContact CD2-CD2 4.14Å; L420-W427 HydrophobicContact CD2-CE3 3.63Å; L420-W427 HydrophobicContact CD2-CZ3 4.11Å; L420-W427 WeakPolarHBondContact O-CB 3.47Å; F423-W427 HydrophobicContact CB-CB 4.27Å; F423-W427 VanDerWaalsContact CB-CD1 3.45Å; F423-W427 HydrophobicContact CB-CG 4Å; G424-W427 PolarHBondContact O-N 3.41Å; G425-W427 PolarHBondContact O-N 3.06Å; W427-Q431 WeakPolarHBondContact O-CA 3.36Å; W427-Q431 WeakPolarHBondContact O-CB 3.46Å; W427-Q431 PolarHBondContact O-N 2.97Å; W427-V434 HydrophobicContact CE3-CG1 4.27Å; W427-V434 HydrophobicContact CE3-CG2 4.43Å; W427-V434 HydrophobicContact CZ3-CG1 3.89Å; W427-V434 HydrophobicContact CZ3-CG2 4.28Å
428	L	68.1	Low	74.8	Confident	49 Å²	49	67 Å²	67	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-37	176.2	-165.1	105.1	0	0	0	111.5	A315 R421 G425 F426 Q431	A315-L428 HydrophobicContact CB-CD2 4.15Å; R421-L428 HydrophobicContact CG-CD1 4.21Å; G425-L428 WeakPolarHBondContact O-CB 3.36Å; G425-L428 PolarHBondContact O-N 3.36Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 PolarHBondContact O-N 3.43Å; L428-Q431 WeakPolarHBondContact O-CG 3.21Å; L428-Q431 PolarHBondContact O-NE2 2.91Å
429	I	67.7	Low	75.4	Confident	100 Å²	100	66 Å²	66	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-72.6	-46.7	180	-61	173.5	0	0	0	110.3	G425 F426	G425-I429 PolarHBondContact O-N 3.46Å; F426-I429 PolarHBondContact O-N 3.43Å
430	Y	72.3	Confident	75.7	Confident	118 Å²	118	61.5 Å²	61.5	46%	0.463	32%	0.319	S	S	.	.	S	Bend	trans	-97.8	17	-175.7	-62.5	-77.6	0	0	0	113.9	F426 F432 E433 V434	F426-Y430 HydrophobicContact CD1-CD2 4.29Å; F426-Y430 AromaticContact CD2-CD2 3.54Å; F426-Y430 HydrophobicContact CD2-CD2 3.54Å; F426-Y430 AromaticContact CD2-CE2 3.6Å; F426-Y430 HydrophobicContact CD2-CE2 3.6Å; F426-Y430 HydrophobicContact CE1-CD2 4.02Å; F426-Y430 AromaticContact CE2-CD2 3.22Å; F426-Y430 HydrophobicContact CE2-CD2 3.22Å; F426-Y430 AromaticContact CE2-CE2 3.23Å; F426-Y430 HydrophobicContact CE2-CE2 3.23Å; F426-Y430 HydrophobicContact CE2-CG 4.25Å; F426-Y430 HydrophobicContact CG-CD2 4.07Å; F426-Y430 AromaticContact CZ-CD2 3.48Å; F426-Y430 HydrophobicContact CZ-CD2 3.48Å; F426-Y430 VanDerWaalsContact CZ-CD2 3.48Å; F426-Y430 AromaticContact CZ-CE2 3.91Å; F426-Y430 HydrophobicContact CZ-CE2 3.91Å; F426-Y430 HydrophobicContact CZ-CG 4.12Å; F426-Y430 WeakPolarHBondContact O-CD2 3.25Å; F426-Y430 PolarHBondContact O-N 3.31Å; F426-Y430 VanDerWaalsContact O-N 3.1Å; Y430-F432 VanDerWaalsContact C-N 3.29Å; Y430-F432 PolarHBondContact O-N 3.34Å; Y430-E433 PolarHBondContact O-N 2.83Å; Y430-V434 WeakPolarHBondContact O-CB 3.46Å; Y430-V434 WeakPolarHBondContact O-CG2 3.37Å; Y430-V434 PolarHBondContact O-N 2.84Å
431	Q	71.6	Confident	76.2	Confident	15 Å²	15	65.5 Å²	65.5	7%	0.07	34%	0.34	C	S	.	.	H	α-helix	trans	-54.4	-43.5	-173.9	61.7	-169.7	-57.9	0	0	112.3	Y417 W427 L428 T435	Y417-Q431 HydrophobicContact CE2-CG 4.11Å; Y417-Q431 PolarHBondContact OH-OE1 2.89Å; W427-Q431 WeakPolarHBondContact O-CA 3.36Å; W427-Q431 WeakPolarHBondContact O-CB 3.46Å; W427-Q431 PolarHBondContact O-N 2.97Å; L428-Q431 WeakPolarHBondContact O-CG 3.21Å; L428-Q431 PolarHBondContact O-NE2 2.91Å; Q431-T435 WeakPolarHBondContact O-CB 3.45Å; Q431-T435 PolarHBondContact O-N 2.94Å; Q431-T435 PolarHBondContact O-OG1 3.4Å
432	F	70.6	Confident	77.2	Confident	63 Å²	63	66.2 Å²	66.2	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-67.6	-47.8	-176.7	-69.7	-75.8	0	0	0	112	V308 Y417 Y430 S436	V308-F432 HydrophobicContact CG2-CZ 4.36Å; Y417-F432 HydrophobicContact CE2-CD1 4.35Å; Y417-F432 AromaticContact CE2-CE1 3.89Å; Y417-F432 HydrophobicContact CE2-CE1 3.89Å; Y417-F432 HydrophobicContact CE2-CZ 4.12Å; Y430-F432 VanDerWaalsContact C-N 3.29Å; Y430-F432 PolarHBondContact O-N 3.34Å; F432-S436 VanDerWaalsContact O-CB 3.25Å; F432-S436 WeakPolarHBondContact O-CB 3.27Å; F432-S436 PolarHBondContact O-N 2.94Å
433	E	75.1	Confident	78	Confident	93 Å²	93	62 Å²	62	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-45.8	-178.6	-66.2	-63.2	168.1	0	0	112.1	Y430 S436 M437	Y430-E433 PolarHBondContact O-N 2.83Å; E433-S436 PolarHBondContact O-N 3.48Å; E433-M437 WeakPolarHBondContact O-CB 3.21Å; E433-M437 PolarHBondContact O-N 3.29Å
434	V	78.8	Confident	78.5	Confident	35 Å²	35	56.6 Å²	56.6	21%	0.212	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-46.2	177.9	175.2	0	0	0	0	110.4	L420 W427 Y430 S436 M437 V438	L420-V434 HydrophobicContact CD1-CB 4.27Å; L420-V434 HydrophobicContact CD1-CG1 3.83Å; L420-V434 HydrophobicContact CD2-CG1 4.3Å; W427-V434 HydrophobicContact CE3-CG1 4.27Å; W427-V434 HydrophobicContact CE3-CG2 4.43Å; W427-V434 HydrophobicContact CZ3-CG1 3.89Å; W427-V434 HydrophobicContact CZ3-CG2 4.28Å; Y430-V434 WeakPolarHBondContact O-CB 3.46Å; Y430-V434 WeakPolarHBondContact O-CG2 3.37Å; Y430-V434 PolarHBondContact O-N 2.84Å; V434-S436 VanDerWaalsContact C-N 3.32Å; V434-S436 PolarHBondContact O-N 3.41Å; V434-M437 PolarHBondContact O-N 3.29Å; V434-V438 HydrophobicContact CG1-CG2 4.35Å; V434-V438 VanDerWaalsContact O-CG2 3.29Å; V434-V438 WeakPolarHBondContact O-CG2 3.34Å; V434-V438 PolarHBondContact O-N 3.29Å
435	T	79.2	Confident	79.3	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-46.1	177.9	-59.7	0	0	0	0	110.5	I416 L420 Q431 V438 I439	I416-T435 HydrophobicContact CG2-CG2 3.99Å; L420-T435 VanDerWaalsContact CD1-OG1 3.25Å; L420-T435 WeakPolarHBondContact CD1-OG1 3.35Å; Q431-T435 WeakPolarHBondContact O-CB 3.45Å; Q431-T435 PolarHBondContact O-N 2.94Å; Q431-T435 PolarHBondContact O-OG1 3.4Å; T435-V438 PolarHBondContact O-N 3.34Å; T435-I439 HydrophobicContact CG2-CD1 3.41Å; T435-I439 VanDerWaalsContact CG2-CD1 3.41Å; T435-I439 HydrophobicContact CG2-CG1 4.3Å; T435-I439 WeakPolarHBondContact O-CB 3.48Å; T435-I439 VanDerWaalsContact O-CD1 3.31Å; T435-I439 WeakPolarHBondContact O-CD1 3.49Å; T435-I439 WeakPolarHBondContact O-CG1 3.29Å; T435-I439 PolarHBondContact O-N 3.45Å
436	S	80.9	Confident	79.9	Confident	8 Å²	8	58.5 Å²	58.5	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-52.9	176.7	-178.4	0	0	0	0	111.5	F432 E433 V434 V438 I439 H440 Q528	F432-S436 VanDerWaalsContact O-CB 3.25Å; F432-S436 WeakPolarHBondContact O-CB 3.27Å; F432-S436 PolarHBondContact O-N 2.94Å; E433-S436 PolarHBondContact O-N 3.48Å; V434-S436 VanDerWaalsContact C-N 3.32Å; V434-S436 PolarHBondContact O-N 3.41Å; S436-V438 PolarHBondContact O-N 3.4Å; S436-I439 PolarHBondContact O-N 2.87Å; S436-H440 PolarHBondContact O-N 3.46Å; S436-H440 PolarHBondContact O-ND1 3.28Å; S436-H440 PolarHBondContact OG-CE1 3.03Å; S436-H440 PolarHBondContact OG-ND1 3.26Å; S436-H440 VanDerWaalsContact OG-ND1 3.14Å; S436-Q528 PolarHBondContact OG-OE1 3.39Å
437	M	81.7	Confident	80.4	Confident	136 Å²	136	53 Å²	53	67%	0.67	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-44.7	-179.1	-178.3	-175.2	148.5	0	0	112.3	E433 V434 H440 L441	E433-M437 WeakPolarHBondContact O-CB 3.21Å; E433-M437 PolarHBondContact O-N 3.29Å; V434-M437 PolarHBondContact O-N 3.29Å; M437-H440 PolarHBondContact O-N 2.87Å; M437-L441 PolarHBondContact O-N 2.87Å
438	V	85.2	Confident	81.1	Confident	56 Å²	56	50.7 Å²	50.7	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-44.9	178.8	174.7	0	0	0	0	110.8	I416 V434 T435 S436 H440 L441 C442	I416-V438 HydrophobicContact CD1-CG1 3.82Å; V434-V438 HydrophobicContact CG1-CG2 4.35Å; V434-V438 VanDerWaalsContact O-CG2 3.29Å; V434-V438 WeakPolarHBondContact O-CG2 3.34Å; V434-V438 PolarHBondContact O-N 3.29Å; T435-V438 PolarHBondContact O-N 3.34Å; S436-V438 PolarHBondContact O-N 3.4Å; V438-H440 PolarHBondContact O-N 3.24Å; V438-L441 PolarHBondContact O-N 3.34Å; V438-C442 WeakPolarHBondContact O-CB 3.37Å; V438-C442 PolarHBondContact O-N 3.49Å; V438-C442 PolarHBondContact O-SG 3.3Å; V438-C442 VanDerWaalsContact O-SG 3.34Å
439	I	84	Confident	82	Confident	15 Å²	15	51.8 Å²	51.8	8%	0.077	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-43.9	179.2	-70.9	162.7	0	0	0	111.3	R413 T435 S436 L441 C442 T443	R413-I439 HydrophobicContact CB-CD1 3.5Å; R413-I439 VanDerWaalsContact CB-CD1 3.5Å; R413-I439 HydrophobicContact CB-CG1 4.19Å; R413-I439 HydrophobicContact CG-CD1 3.38Å; T435-I439 HydrophobicContact CG2-CD1 3.41Å; T435-I439 VanDerWaalsContact CG2-CD1 3.41Å; T435-I439 HydrophobicContact CG2-CG1 4.3Å; T435-I439 WeakPolarHBondContact O-CB 3.48Å; T435-I439 VanDerWaalsContact O-CD1 3.31Å; T435-I439 WeakPolarHBondContact O-CD1 3.49Å; T435-I439 WeakPolarHBondContact O-CG1 3.29Å; T435-I439 PolarHBondContact O-N 3.45Å; S436-I439 PolarHBondContact O-N 2.87Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.03Å; I439-C442 PolarHBondContact O-N 3.47Å; I439-T443 VanDerWaalsContact O-CB 3.27Å; I439-T443 WeakPolarHBondContact O-CB 3.38Å; I439-T443 PolarHBondContact O-N 3.34Å; I439-T443 PolarHBondContact O-OG1 3.28Å
440	H	85.7	Confident	83	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-38.9	178.2	-69.9	117.5	0	0	0	111.8	S436 M437 V438 T443 F444 E525 A529 I532	S436-H440 PolarHBondContact O-N 3.46Å; S436-H440 PolarHBondContact O-ND1 3.28Å; S436-H440 PolarHBondContact OG-CE1 3.03Å; S436-H440 PolarHBondContact OG-ND1 3.26Å; S436-H440 VanDerWaalsContact OG-ND1 3.14Å; M437-H440 PolarHBondContact O-N 2.87Å; V438-H440 PolarHBondContact O-N 3.24Å; H440-T443 PolarHBondContact O-N 2.95Å; H440-F444 WeakPolarHBondContact O-CB 3.21Å; H440-F444 PolarHBondContact O-N 3.25Å; H440-E525 PolarHBondContact NE2-O 3.37Å; H440-A529 PolarHBondContact NE2-N 3.19Å; H440-I532 HydrophobicContact CB-CD1 3.41Å; H440-I532 VanDerWaalsContact CB-CD1 3.41Å; H440-I532 HydrophobicContact CB-CG2 4.37Å
441	L	85.7	Confident	83.8	Confident	102 Å²	102	43 Å²	43	53%	0.534	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-45.3	174.4	-176.6	63.9	0	0	0	111.9	M437 V438 I439 F444 V445	M437-L441 PolarHBondContact O-N 2.87Å; V438-L441 PolarHBondContact O-N 3.34Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.03Å; L441-F444 WeakPolarHBondContact O-CB 3.48Å; L441-F444 PolarHBondContact O-N 3.47Å; L441-V445 WeakPolarHBondContact O-CG2 3.5Å; L441-V445 PolarHBondContact O-N 3.36Å
442	C	87.7	Confident	84.6	Confident	47 Å²	47	45.6 Å²	45.6	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.5	-71.9	0	0	0	0	111.6	L409 V438 I439 F444 V445 V446	L409-C442 HydrophobicContact CD2-CB 4.47Å; V438-C442 WeakPolarHBondContact O-CB 3.37Å; V438-C442 PolarHBondContact O-N 3.49Å; V438-C442 PolarHBondContact O-SG 3.3Å; V438-C442 VanDerWaalsContact O-SG 3.34Å; I439-C442 PolarHBondContact O-N 3.47Å; C442-F444 VanDerWaalsContact C-N 3.32Å; C442-F444 PolarHBondContact O-N 3.27Å; C442-V445 PolarHBondContact O-N 2.97Å; C442-V446 WeakPolarHBondContact O-CG2 3.31Å; C442-V446 PolarHBondContact O-N 2.9Å
443	T	87.8	Confident	85.4	Confident	13 Å²	13	46.7 Å²	46.7	8%	0.08	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-45.9	176.5	-58.6	0	0	0	0	110.2	L409 I439 H440 V445 V446 V447 P492	L409-T443 HydrophobicContact CD1-CG2 4.08Å; I439-T443 VanDerWaalsContact O-CB 3.27Å; I439-T443 WeakPolarHBondContact O-CB 3.38Å; I439-T443 PolarHBondContact O-N 3.34Å; I439-T443 PolarHBondContact O-OG1 3.28Å; H440-T443 PolarHBondContact O-N 2.95Å; T443-V445 PolarHBondContact O-N 3.24Å; T443-V446 PolarHBondContact O-N 2.89Å; T443-V447 HydrophobicContact CG2-CG2 4.11Å; T443-V447 WeakPolarHBondContact O-CB 3.41Å; T443-V447 WeakPolarHBondContact O-CG2 3.26Å; T443-V447 PolarHBondContact O-N 2.95Å; T443-P492 HydrophobicContact CG2-CB 3.84Å; T443-P492 HydrophobicContact CG2-CG 3.82Å
444	F	87.8	Confident	86.1	Confident	20 Å²	20	42.6 Å²	42.6	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-47.5	175.7	175.7	-103.3	0	0	0	112.5	H440 L441 C442 V446 V447 M448 L533 A536 I540	H440-F444 WeakPolarHBondContact O-CB 3.21Å; H440-F444 PolarHBondContact O-N 3.25Å; L441-F444 WeakPolarHBondContact O-CB 3.48Å; L441-F444 PolarHBondContact O-N 3.47Å; C442-F444 VanDerWaalsContact C-N 3.32Å; C442-F444 PolarHBondContact O-N 3.27Å; F444-V446 PolarHBondContact O-N 2.87Å; F444-V447 PolarHBondContact O-N 2.88Å; F444-M448 HydrophobicContact CD1-CG 4.5Å; F444-M448 HydrophobicContact CD2-CG 4.03Å; F444-M448 HydrophobicContact CE1-CG 4.15Å; F444-M448 HydrophobicContact CE2-CE 4.22Å; F444-M448 HydrophobicContact CE2-CG 3.63Å; F444-M448 HydrophobicContact CE2-SD 4.04Å; F444-M448 HydrophobicContact CG-CG 4.46Å; F444-M448 HydrophobicContact CZ-CE 3.97Å; F444-M448 HydrophobicContact CZ-CG 3.71Å; F444-M448 HydrophobicContact CZ-SD 4.29Å; F444-M448 WeakPolarHBondContact O-CB 3.21Å; F444-M448 WeakPolarHBondContact O-CG 3.45Å; F444-M448 PolarHBondContact O-N 3.47Å; F444-L533 HydrophobicContact CB-CD2 4.2Å; F444-L533 HydrophobicContact CD2-CD2 4.14Å; F444-A536 HydrophobicContact CD2-CB 3.8Å; F444-A536 HydrophobicContact CE1-CB 4.12Å; F444-A536 HydrophobicContact CE2-CB 3.33Å; F444-A536 HydrophobicContact CG-CB 4.36Å; F444-A536 HydrophobicContact CZ-CB 3.49Å; F444-A536 VanDerWaalsContact CZ-CB 3.49Å; F444-I540 HydrophobicContact CE1-CD1 3.57Å; F444-I540 HydrophobicContact CZ-CD1 3.46Å; F444-I540 VanDerWaalsContact CZ-CD1 3.46Å; F444-I540 HydrophobicContact CZ-CG1 4.27Å
445	V	88.3	Confident	86.5	Confident	78 Å²	78	46 Å²	46	47%	0.473	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-44.8	178.1	172.9	0	0	0	0	111.3	L441 C442 T443 T449	L441-V445 WeakPolarHBondContact O-CG2 3.5Å; L441-V445 PolarHBondContact O-N 3.36Å; C442-V445 PolarHBondContact O-N 2.97Å; T443-V445 PolarHBondContact O-N 3.24Å; V445-T449 HydrophobicContact CG1-CG2 4.39Å; V445-T449 WeakPolarHBondContact O-CB 3.49Å; V445-T449 VanDerWaalsContact O-CG2 3.25Å; V445-T449 WeakPolarHBondContact O-CG2 3.4Å; V445-T449 PolarHBondContact O-N 3.41Å; V445-T449 PolarHBondContact O-OG1 2.97Å
446	V	88.6	Confident	86.9	Confident	42 Å²	42	53.5 Å²	53.5	26%	0.255	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-48.7	178.1	171.5	0	0	0	0	110.8	A405 L409 C442 T443 F444 M448 T449 L450	A405-V446 HydrophobicContact CB-CG1 4.21Å; L409-V446 HydrophobicContact CD1-CG1 4.41Å; L409-V446 HydrophobicContact CD2-CG2 4.15Å; C442-V446 WeakPolarHBondContact O-CG2 3.31Å; C442-V446 PolarHBondContact O-N 2.9Å; T443-V446 PolarHBondContact O-N 2.89Å; F444-V446 PolarHBondContact O-N 2.87Å; V446-M448 PolarHBondContact O-N 3.1Å; V446-T449 WeakPolarHBondContact CA-OG1 3.31Å; V446-T449 PolarHBondContact O-N 3.23Å; V446-T449 PolarHBondContact O-OG1 3.49Å; V446-L450 HydrophobicContact CG1-CD1 3.66Å; V446-L450 HydrophobicContact CG1-CG 4.17Å; V446-L450 VanDerWaalsContact O-CB 3.29Å; V446-L450 WeakPolarHBondContact O-CB 3.3Å; V446-L450 VanDerWaalsContact O-CG 3.25Å; V446-L450 WeakPolarHBondContact O-CG 3.21Å; V446-L450 PolarHBondContact O-N 3.43Å
447	V	88.6	Confident	87.3	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-45.4	179.5	169	0	0	0	0	111	T443 F444 G451 N488 N489 P492	T443-V447 HydrophobicContact CG2-CG2 4.11Å; T443-V447 WeakPolarHBondContact O-CB 3.41Å; T443-V447 WeakPolarHBondContact O-CG2 3.26Å; T443-V447 PolarHBondContact O-N 2.95Å; F444-V447 PolarHBondContact O-N 2.88Å; V447-G451 PolarHBondContact O-N 3.33Å; V447-N488 WeakPolarHBondContact CG2-O 3.4Å; V447-N488 PolarHBondContact O-ND2 3.19Å; V447-N489 VanDerWaalsContact CG1-OD1 3.23Å; V447-N489 WeakPolarHBondContact CG1-OD1 3.5Å; V447-P492 HydrophobicContact CG2-CG 4.38Å
448	M	87.4	Confident	87.7	Confident	55 Å²	55	48.8 Å²	48.8	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-41.9	179.7	-68.8	-66.9	-93.5	0	0	112.5	F444 V446 G451 V452 R537 I540	F444-M448 HydrophobicContact CD1-CG 4.5Å; F444-M448 HydrophobicContact CD2-CG 4.03Å; F444-M448 HydrophobicContact CE1-CG 4.15Å; F444-M448 HydrophobicContact CE2-CE 4.22Å; F444-M448 HydrophobicContact CE2-CG 3.63Å; F444-M448 HydrophobicContact CE2-SD 4.04Å; F444-M448 HydrophobicContact CG-CG 4.46Å; F444-M448 HydrophobicContact CZ-CE 3.97Å; F444-M448 HydrophobicContact CZ-CG 3.71Å; F444-M448 HydrophobicContact CZ-SD 4.29Å; F444-M448 WeakPolarHBondContact O-CB 3.21Å; F444-M448 WeakPolarHBondContact O-CG 3.45Å; F444-M448 PolarHBondContact O-N 3.47Å; V446-M448 PolarHBondContact O-N 3.1Å; M448-G451 PolarHBondContact O-N 3.35Å; M448-V452 PolarHBondContact O-N 2.94Å; M448-R537 HydrophobicContact SD-CG 4.49Å; M448-I540 HydrophobicContact CE-CB 4.24Å; M448-I540 HydrophobicContact CE-CG2 4.03Å
449	T	87.7	Confident	88	Confident	72 Å²	72	49.8 Å²	49.8	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-45	178.5	51.3	0	0	0	0	111.8	V445 V446 G451 V452 L453	V445-T449 HydrophobicContact CG1-CG2 4.39Å; V445-T449 WeakPolarHBondContact O-CB 3.49Å; V445-T449 VanDerWaalsContact O-CG2 3.25Å; V445-T449 WeakPolarHBondContact O-CG2 3.4Å; V445-T449 PolarHBondContact O-N 3.41Å; V445-T449 PolarHBondContact O-OG1 2.97Å; V446-T449 WeakPolarHBondContact CA-OG1 3.31Å; V446-T449 PolarHBondContact O-N 3.23Å; V446-T449 PolarHBondContact O-OG1 3.49Å; T449-G451 VanDerWaalsContact C-N 3.3Å; T449-G451 PolarHBondContact O-N 3.34Å; T449-V452 PolarHBondContact O-N 2.96Å; T449-L453 WeakPolarHBondContact O-CG 2.87Å; T449-L453 PolarHBondContact O-N 2.92Å; T449-L453 VanDerWaalsContact O-N 3.1Å
450	L	88.7	Confident	88.1	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-37.8	174.5	-70.7	-178.8	0	0	0	111.8	M401 A405 V446 L453 Y454 F484	M401-L450 HydrophobicContact CE-CD2 3.34Å; M401-L450 HydrophobicContact CG-CD2 4.46Å; M401-L450 HydrophobicContact SD-CD2 3.99Å; A405-L450 HydrophobicContact CB-CD1 3.76Å; V446-L450 HydrophobicContact CG1-CD1 3.66Å; V446-L450 HydrophobicContact CG1-CG 4.17Å; V446-L450 VanDerWaalsContact O-CB 3.29Å; V446-L450 WeakPolarHBondContact O-CB 3.3Å; V446-L450 VanDerWaalsContact O-CG 3.25Å; V446-L450 WeakPolarHBondContact O-CG 3.21Å; V446-L450 PolarHBondContact O-N 3.43Å; L450-L453 PolarHBondContact O-N 3.5Å; L450-Y454 WeakPolarHBondContact O-CB 3.29Å; L450-Y454 PolarHBondContact O-N 3.3Å; L450-F484 HydrophobicContact CB-CZ 4Å; L450-F484 WeakPolarHBondContact O-CZ 3.42Å
451	G	89.2	Confident	88.3	Confident	23 Å²	23	58 Å²	58	24%	0.237	30%	0.298	C	S	.	.	H	α-helix	trans	-52	-56.2	172.6	0	0	0	0	0	113.3	V447 M448 T449 L453 Y454 E455	V447-G451 PolarHBondContact O-N 3.33Å; M448-G451 PolarHBondContact O-N 3.35Å; T449-G451 VanDerWaalsContact C-N 3.3Å; T449-G451 PolarHBondContact O-N 3.34Å; G451-L453 PolarHBondContact O-N 3.06Å; G451-Y454 PolarHBondContact O-N 3.44Å; G451-E455 PolarHBondContact O-N 3.1Å
452	V	87.4	Confident	88.4	Confident	69 Å²	69	53.2 Å²	53.2	42%	0.418	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-38.5	-179.3	176	0	0	0	0	112.2	M448 T449 R456	M448-V452 PolarHBondContact O-N 2.94Å; T449-V452 PolarHBondContact O-N 2.96Å; V452-R456 WeakPolarHBondContact O-CG 3.39Å; V452-R456 PolarHBondContact O-N 2.97Å
453	L	89	Confident	88.3	Confident	85 Å²	85	55 Å²	55	45%	0.445	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178	-70.7	175.9	0	0	0	111.8	T449 L450 G451 S457	T449-L453 WeakPolarHBondContact O-CG 2.87Å; T449-L453 PolarHBondContact O-N 2.92Å; T449-L453 VanDerWaalsContact O-N 3.1Å; L450-L453 PolarHBondContact O-N 3.5Å; G451-L453 PolarHBondContact O-N 3.06Å; L453-S457 WeakPolarHBondContact O-CB 3.48Å; L453-S457 PolarHBondContact O-N 3.24Å; L453-S457 VanDerWaalsContact O-N 3.08Å; L453-S457 PolarHBondContact O-OG 3.35Å
454	Y	87.9	Confident	88.2	Confident	7 Å²	7	59.3 Å²	59.3	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-70.7	-43.3	179.7	-173.5	-86.9	0	0	0	112.2	L398 L450 G451 R456 S457 A458 K480 V481 F484	L398-Y454 HydrophobicContact CB-CD2 3.87Å; L398-Y454 HydrophobicContact CB-CE2 3.57Å; L398-Y454 HydrophobicContact CD1-CD2 3.62Å; L398-Y454 HydrophobicContact CD1-CE2 3.32Å; L398-Y454 HydrophobicContact CD2-CD2 4.15Å; L398-Y454 HydrophobicContact CG-CD2 4.08Å; L398-Y454 HydrophobicContact CG-CE2 3.96Å; L450-Y454 WeakPolarHBondContact O-CB 3.29Å; L450-Y454 PolarHBondContact O-N 3.3Å; G451-Y454 PolarHBondContact O-N 3.44Å; Y454-R456 PolarHBondContact O-N 3.15Å; Y454-S457 CarbonylContact O-C 3.54Å; Y454-S457 WeakPolarHBondContact O-CA 3.37Å; Y454-S457 PolarHBondContact O-N 3Å; Y454-A458 HydrophobicContact CD1-CB 4Å; Y454-A458 HydrophobicContact CE1-CB 3.61Å; Y454-A458 VanDerWaalsContact O-CB 3.31Å; Y454-A458 WeakPolarHBondContact O-CB 3.15Å; Y454-A458 PolarHBondContact O-N 2.94Å; Y454-K480 WeakPolarHBondContact CE1-O 3.44Å; Y454-K480 VanDerWaalsContact OH-C 3.32Å; Y454-K480 PolarHBondContact OH-O 3.19Å; Y454-V481 HydrophobicContact CE1-CG2 4.33Å; Y454-F484 VanDerWaalsContact CB-CD1 3.48Å; Y454-F484 HydrophobicContact CD1-CB 3.59Å; Y454-F484 AromaticContact CD1-CD1 3.43Å; Y454-F484 HydrophobicContact CD1-CD1 3.43Å; Y454-F484 VanDerWaalsContact CD1-CD1 3.43Å; Y454-F484 HydrophobicContact CD1-CD2 4.15Å; Y454-F484 HydrophobicContact CD1-CE1 4.13Å; Y454-F484 AromaticContact CD1-CG 3.44Å; Y454-F484 HydrophobicContact CD1-CG 3.44Å; Y454-F484 VanDerWaalsContact CD1-CG 3.44Å; Y454-F484 HydrophobicContact CD2-CB 3.78Å; Y454-F484 AromaticContact CD2-CD1 3.83Å; Y454-F484 HydrophobicContact CD2-CD1 3.83Å; Y454-F484 AromaticContact CD2-CD2 3.03Å; Y454-F484 HydrophobicContact CD2-CD2 3.03Å; Y454-F484 HydrophobicContact CD2-CE1 4.17Å; Y454-F484 AromaticContact CD2-CE2 3.38Å; Y454-F484 HydrophobicContact CD2-CE2 3.38Å; Y454-F484 AromaticContact CD2-CG 3.24Å; Y454-F484 HydrophobicContact CD2-CG 3.24Å; Y454-F484 AromaticContact CD2-CZ 3.96Å; Y454-F484 HydrophobicContact CD2-CZ 3.96Å; Y454-F484 HydrophobicContact CE1-CB 3.35Å; Y454-F484 HydrophobicContact CE1-CD1 4.14Å; Y454-F484 HydrophobicContact CE1-CD2 4.47Å; Y454-F484 AromaticContact CE1-CG 3.75Å; Y454-F484 HydrophobicContact CE1-CG 3.75Å; Y454-F484 HydrophobicContact CE2-CB 3.47Å; Y454-F484 VanDerWaalsContact CE2-CB 3.47Å; Y454-F484 HydrophobicContact CE2-CD1 4.41Å; Y454-F484 AromaticContact CE2-CD2 3.38Å; Y454-F484 HydrophobicContact CE2-CD2 3.38Å; Y454-F484 HydrophobicContact CE2-CE2 4.17Å; Y454-F484 AromaticContact CE2-CG 3.5Å; Y454-F484 HydrophobicContact CE2-CG 3.5Å; Y454-F484 VanDerWaalsContact CE2-CG 3.5Å; Y454-F484 HydrophobicContact CG-CB 3.82Å; Y454-F484 AromaticContact CG-CD1 3.27Å; Y454-F484 HydrophobicContact CG-CD1 3.27Å; Y454-F484 AromaticContact CG-CD2 3.45Å; Y454-F484 HydrophobicContact CG-CD2 3.45Å; Y454-F484 VanDerWaalsContact CG-CD2 3.45Å; Y454-F484 AromaticContact CG-CE1 3.59Å; Y454-F484 HydrophobicContact CG-CE1 3.59Å; Y454-F484 AromaticContact CG-CE2 3.69Å; Y454-F484 HydrophobicContact CG-CE2 3.69Å; Y454-F484 AromaticContact CG-CG 3.19Å; Y454-F484 HydrophobicContact CG-CG 3.19Å; Y454-F484 AromaticContact CG-CZ 3.77Å; Y454-F484 HydrophobicContact CG-CZ 3.77Å; Y454-F484 AromaticContact CZ-CG 3.77Å
455	E	88.1	Confident	88.1	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	30%	0.299	S	S	.	.	H	α-helix	trans	-53.8	-44.3	178	-168.6	-173.1	173.2	0	0	111.2	G451 A458 H459 Y477	G451-E455 PolarHBondContact O-N 3.1Å; E455-A458 PolarHBondContact O-N 2.59Å; E455-H459 PolarHBondContact O-N 2.88Å; E455-H459 VanDerWaalsContact O-N 3.1Å; E455-Y477 VanDerWaalsContact CG-OH 3.26Å; E455-Y477 WeakPolarHBondContact CG-OH 3.38Å
456	R	88.6	Confident	88	Confident	163 Å²	163	57 Å²	57	62%	0.615	28%	0.279	S	S	*	.	H	α-helix	trans	-64.8	-40.4	174.7	-68.8	177.7	-179.7	148.5	2.4	113	V452 Y454 R460	V452-R456 WeakPolarHBondContact O-CG 3.39Å; V452-R456 PolarHBondContact O-N 2.97Å; Y454-R456 PolarHBondContact O-N 3.15Å; R456-R460 PolarHBondContact O-N 2.86Å
457	S	88.9	Confident	87.9	Confident	44 Å²	44	55.8 Å²	55.8	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-69.8	-40.6	179.6	-57.6	0	0	0	0	111.3	L453 Y454 R460 L461	L453-S457 WeakPolarHBondContact O-CB 3.48Å; L453-S457 PolarHBondContact O-N 3.24Å; L453-S457 VanDerWaalsContact O-N 3.08Å; L453-S457 PolarHBondContact O-OG 3.35Å; Y454-S457 CarbonylContact O-C 3.54Å; Y454-S457 WeakPolarHBondContact O-CA 3.37Å; Y454-S457 PolarHBondContact O-N 3Å; S457-R460 PolarHBondContact O-N 2.73Å; S457-L461 WeakPolarHBondContact O-CB 3.45Å; S457-L461 VanDerWaalsContact O-CG 3.31Å; S457-L461 WeakPolarHBondContact O-CG 3.5Å; S457-L461 PolarHBondContact O-N 2.99Å
458	A	90.6	Very high	87.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-39.5	177.8	0	0	0	0	0	111.9	Y454 E455 L461 T462 Y477 K480 V481	Y454-A458 HydrophobicContact CD1-CB 4Å; Y454-A458 HydrophobicContact CE1-CB 3.61Å; Y454-A458 VanDerWaalsContact O-CB 3.31Å; Y454-A458 WeakPolarHBondContact O-CB 3.15Å; Y454-A458 PolarHBondContact O-N 2.94Å; E455-A458 PolarHBondContact O-N 2.59Å; A458-L461 PolarHBondContact O-N 2.93Å; A458-T462 WeakPolarHBondContact O-CB 3.49Å; A458-T462 PolarHBondContact O-N 3.3Å; A458-T462 PolarHBondContact O-OG1 3.22Å; A458-Y477 HydrophobicContact CB-CD2 4.24Å; A458-Y477 HydrophobicContact CB-CE2 3.98Å; A458-K480 HydrophobicContact CB-CB 4.44Å; A458-V481 HydrophobicContact CB-CG2 3.79Å
459	H	89.8	Confident	87.6	Confident	78 Å²	78	61.9 Å²	61.9	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-54.8	171.6	-171.9	-83.1	0	0	0	110.8	E455 L461 T462 E463 Y473 Y477	E455-H459 PolarHBondContact O-N 2.88Å; E455-H459 VanDerWaalsContact O-N 3.1Å; H459-L461 PolarHBondContact O-N 3.26Å; H459-T462 PolarHBondContact O-N 2.9Å; H459-T462 VanDerWaalsContact O-N 3.14Å; H459-E463 IonicContact CE1-OE1 2.73Å; H459-E463 PolarHBondContact CE1-OE1 3.23Å; H459-E463 IonicContact CE1-OE2 3.12Å; H459-E463 PolarHBondContact CE1-OE2 2.81Å; H459-E463 VanDerWaalsContact ND1-CD 3.25Å; H459-E463 IonicContact ND1-OE1 2.82Å; H459-E463 IonicContact ND1-OE2 3.94Å; H459-E463 PolarHBondContact ND1-OE2 3.26Å; H459-E463 WeakPolarHBondContact O-CG 3.37Å; H459-E463 PolarHBondContact O-N 2.84Å; H459-Y473 PolarHBondContact CD2-OH 2.82Å; H459-Y473 PolarHBondContact NE2-OH 3.32Å; H459-Y477 HydrophobicContact CB-CE2 4.29Å
460	R	87.4	Confident	87.5	Confident	169 Å²	169	62.4 Å²	62.4	64%	0.638	29%	0.293	S	S	*	.	H	α-helix	trans	-61.3	-43	179.7	-72.4	-170.8	178.3	153.9	-0.9	113.1	R456 S457 T462 E463 F464	R456-R460 PolarHBondContact O-N 2.86Å; S457-R460 PolarHBondContact O-N 2.73Å; R460-T462 VanDerWaalsContact C-N 3.27Å; R460-T462 PolarHBondContact O-N 2.96Å; R460-E463 PolarHBondContact O-N 3.48Å; R460-F464 HydrophobicContact CB-CE2 4.22Å; R460-F464 WeakPolarHBondContact O-CD2 3.4Å; R460-F464 WeakPolarHBondContact O-CG 3.35Å; R460-F464 PolarHBondContact O-N 3.01Å
461	L	88.3	Confident	87.4	Confident	29 Å²	29	64.6 Å²	64.6	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-37.7	176.8	-75.5	173.3	0	0	0	111.8	L398 S457 A458 H459 F464 E465	L398-L461 HydrophobicContact CD1-CD1 3.52Å; S457-L461 WeakPolarHBondContact O-CB 3.45Å; S457-L461 VanDerWaalsContact O-CG 3.31Å; S457-L461 WeakPolarHBondContact O-CG 3.5Å; S457-L461 PolarHBondContact O-N 2.99Å; A458-L461 PolarHBondContact O-N 2.93Å; H459-L461 PolarHBondContact O-N 3.26Å; L461-F464 PolarHBondContact O-N 3.45Å; L461-E465 WeakPolarHBondContact O-CG 3.3Å; L461-E465 PolarHBondContact O-N 3.32Å
462	T	89.7	Confident	87.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-75	-32.5	178	-47.1	0	0	0	0	111.7	A458 H459 R460 E465 P467 Y473	A458-T462 WeakPolarHBondContact O-CB 3.49Å; A458-T462 PolarHBondContact O-N 3.3Å; A458-T462 PolarHBondContact O-OG1 3.22Å; H459-T462 PolarHBondContact O-N 2.9Å; H459-T462 VanDerWaalsContact O-N 3.14Å; R460-T462 VanDerWaalsContact C-N 3.27Å; R460-T462 PolarHBondContact O-N 2.96Å; T462-E465 PolarHBondContact O-N 3.31Å; T462-P467 WeakPolarHBondContact O-CD 3.44Å; T462-Y473 HydrophobicContact CG2-CD2 3.48Å; T462-Y473 VanDerWaalsContact CG2-CD2 3.48Å; T462-Y473 HydrophobicContact CG2-CE2 3.55Å; T462-Y473 HydrophobicContact CG2-CG 4.24Å
463	E	85.7	Confident	87.6	Confident	86 Å²	86	62.7 Å²	62.7	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-44.9	169.7	-72.2	177.2	134.6	0	0	111.2	H459 R460 E465 C466 Y473	H459-E463 IonicContact CE1-OE1 2.73Å; H459-E463 PolarHBondContact CE1-OE1 3.23Å; H459-E463 IonicContact CE1-OE2 3.12Å; H459-E463 PolarHBondContact CE1-OE2 2.81Å; H459-E463 VanDerWaalsContact ND1-CD 3.25Å; H459-E463 IonicContact ND1-OE1 2.82Å; H459-E463 IonicContact ND1-OE2 3.94Å; H459-E463 PolarHBondContact ND1-OE2 3.26Å; H459-E463 WeakPolarHBondContact O-CG 3.37Å; H459-E463 PolarHBondContact O-N 2.84Å; R460-E463 PolarHBondContact O-N 3.48Å; E463-E465 VanDerWaalsContact C-N 3.26Å; E463-E465 PolarHBondContact O-N 3.13Å; E463-C466 WeakPolarHBondContact O-CA 3.2Å; E463-C466 PolarHBondContact O-N 3.3Å; E463-Y473 HydrophobicContact CG-CE2 4.28Å
464	F	85.4	Confident	87.8	Confident	102 Å²	102	62.1 Å²	62.1	45%	0.447	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-24.7	178.1	-68.1	-47.4	0	0	0	114.8	I389 R460 L461 C466	I389-F464 PolarHBondContact N-O 2.92Å; R460-F464 HydrophobicContact CB-CE2 4.22Å; R460-F464 WeakPolarHBondContact O-CD2 3.4Å; R460-F464 WeakPolarHBondContact O-CG 3.35Å; R460-F464 PolarHBondContact O-N 3.01Å; L461-F464 PolarHBondContact O-N 3.45Å; F464-C466 PolarHBondContact O-N 3.47Å
465	E	85.7	Confident	88	Confident	44 Å²	44	66.1 Å²	66.1	21%	0.206	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.6	172.2	-73.5	178.7	159.7	0	0	112.9	S391 L461 T462 E463 S476 K480	S391-E465 WeakPolarHBondContact CB-OE1 3.38Å; S391-E465 PolarHBondContact OG-OE1 3.12Å; L461-E465 WeakPolarHBondContact O-CG 3.3Å; L461-E465 PolarHBondContact O-N 3.32Å; T462-E465 PolarHBondContact O-N 3.31Å; E463-E465 VanDerWaalsContact C-N 3.26Å; E463-E465 PolarHBondContact O-N 3.13Å; E465-S476 PolarHBondContact OE2-OG 2.72Å; E465-K480 VanDerWaalsContact OE1-CE 3.26Å; E465-K480 WeakPolarHBondContact OE1-CE 3.5Å; E465-K480 IonicContact OE1-NZ 3.64Å; E465-K480 PolarHBondContact OE1-NZ 3.18Å; E465-K480 IonicContact OE2-NZ 2.65Å; E465-K480 PolarHBondContact OE2-NZ 3.46Å
466	C	85.3	Confident	88.1	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.047	30%	0.298	C	S	.	.			trans	46.3	65.8	-176.9	-159.8	0	0	0	0	113.4	Y382 E463 F464	Y382-C466 WeakPolarHBondContact CD2-O 3.45Å; Y382-C466 WeakPolarHBondContact CE2-O 3.35Å; E463-C466 WeakPolarHBondContact O-CA 3.2Å; E463-C466 PolarHBondContact O-N 3.3Å; F464-C466 PolarHBondContact O-N 3.47Å
467	P	86.4	Confident	88.3	Confident	16 Å²	16	56.9 Å²	56.9	10%	0.104	28%	0.277	C	S	.	.			trans	-72.9	140.9	179	25.9	-31.2	0	0	0	112.3	T462 A472 Y473	T462-P467 WeakPolarHBondContact O-CD 3.44Å; P467-A472 HydrophobicContact CB-CB 4.01Å; P467-Y473 VanDerWaalsContact CG-CA 3.5Å; P467-Y473 HydrophobicContact CG-CD2 3.69Å; P467-Y473 HydrophobicContact CG-CG 4.15Å
468	R	84.2	Confident	88.5	Confident	151 Å²	151	58.7 Å²	58.7	57%	0.57	29%	0.286	S	S	*	.	S	Bend	trans	-63.8	-41.2	-173.3	-177.8	179.9	173.5	177.6	-1.8	114.9	V378 R379 Y382	V378-R468 HydrophobicContact CG1-CG 4.18Å; V378-R468 HydrophobicContact CG2-CG 4.29Å; R379-R468 PolarHBondContact N-O 3.29Å; Y382-R468 HydrophobicContact CD1-CB 4.3Å; Y382-R468 HydrophobicContact CD1-CG 4.03Å; Y382-R468 VanDerWaalsContact CD2-CA 3.48Å; Y382-R468 HydrophobicContact CD2-CB 4.02Å; Y382-R468 HydrophobicContact CE1-CB 4.16Å; Y382-R468 HydrophobicContact CE1-CG 3.89Å; Y382-R468 HydrophobicContact CE2-CB 3.85Å; Y382-R468 HydrophobicContact CE2-CG 4.49Å; Y382-R468 HydrophobicContact CG-CB 4.22Å; Y382-R468 HydrophobicContact CG-CG 4.4Å
469	T	85.8	Confident	88.5	Confident	36 Å²	36	66.5 Å²	66.5	22%	0.221	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-118.4	156.9	-174.6	65.5	0	0	0	0	111.2	E376 R379 T471 A472 Y473	E376-T469 WeakPolarHBondContact OE2-CB 3.26Å; R379-T469 VanDerWaalsContact CD-C 3.46Å; R379-T469 WeakPolarHBondContact CD-O 3.45Å; T469-T471 PolarHBondContact O-N 3.14Å; T469-A472 PolarHBondContact O-N 3.37Å; T469-A472 WeakPolarHBondContact OG1-CB 3.4Å; T469-A472 PolarHBondContact OG1-N 3.09Å; T469-Y473 PolarHBondContact O-N 2.82Å
470	Q	85.3	Confident	88.5	Confident	84 Å²	84	63.5 Å²	63.5	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-35	178.6	-171.8	61	22.4	0	0	111.4	R379 Y473 L474	R379-Q470 HydrophobicContact CG-CB 4.41Å; R379-Q470 VanDerWaalsContact NE-OE1 3.1Å; Q470-Y473 WeakPolarHBondContact O-CB 3.45Å; Q470-Y473 PolarHBondContact O-N 3.33Å; Q470-L474 HydrophobicContact CG-CD1 4.09Å; Q470-L474 HydrophobicContact CG-CG 4.43Å; Q470-L474 WeakPolarHBondContact O-CB 3.45Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.5Å; Q470-L474 PolarHBondContact O-N 2.79Å
471	T	87.8	Confident	88.7	Confident	57 Å²	57	56.3 Å²	56.3	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175.5	-66.3	0	0	0	0	112	E376 T469 L474 N475	E376-T471 VanDerWaalsContact CD-OG1 3.28Å; E376-T471 PolarHBondContact OE1-OG1 3.41Å; E376-T471 WeakPolarHBondContact OE2-CB 3.07Å; E376-T471 PolarHBondContact OE2-N 3.32Å; E376-T471 PolarHBondContact OE2-OG1 3.08Å; T469-T471 PolarHBondContact O-N 3.14Å; T471-L474 PolarHBondContact O-N 3.25Å; T471-N475 VanDerWaalsContact O-CB 3.32Å; T471-N475 WeakPolarHBondContact O-CB 3.23Å; T471-N475 PolarHBondContact O-N 2.7Å; T471-N475 PolarHBondContact O-ND2 3.41Å
472	A	89.2	Confident	88.8	Confident	37 Å²	37	60.2 Å²	60.2	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-40.5	174	0	0	0	0	0	112.1	P467 T469 S476	P467-A472 HydrophobicContact CB-CB 4.01Å; T469-A472 PolarHBondContact O-N 3.37Å; T469-A472 WeakPolarHBondContact OG1-CB 3.4Å; T469-A472 PolarHBondContact OG1-N 3.09Å; A472-S476 VanDerWaalsContact O-CB 3.22Å; A472-S476 WeakPolarHBondContact O-CB 3.4Å; A472-S476 PolarHBondContact O-N 3.48Å
473	Y	91	Very high	88.7	Confident	16 Å²	16	63.7 Å²	63.7	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-53.3	172.7	179.2	-98.2	0	0	0	111.8	H459 T462 E463 P467 T469 Q470 N475 S476 Y477	H459-Y473 PolarHBondContact CD2-OH 2.82Å; H459-Y473 PolarHBondContact NE2-OH 3.32Å; T462-Y473 HydrophobicContact CG2-CD2 3.48Å; T462-Y473 VanDerWaalsContact CG2-CD2 3.48Å; T462-Y473 HydrophobicContact CG2-CE2 3.55Å; T462-Y473 HydrophobicContact CG2-CG 4.24Å; E463-Y473 HydrophobicContact CG-CE2 4.28Å; P467-Y473 VanDerWaalsContact CG-CA 3.5Å; P467-Y473 HydrophobicContact CG-CD2 3.69Å; P467-Y473 HydrophobicContact CG-CG 4.15Å; T469-Y473 PolarHBondContact O-N 2.82Å; Q470-Y473 WeakPolarHBondContact O-CB 3.45Å; Q470-Y473 PolarHBondContact O-N 3.33Å; Y473-N475 PolarHBondContact O-N 3.21Å; Y473-S476 PolarHBondContact O-N 3.19Å; Y473-Y477 VanDerWaalsContact O-CB 3.29Å; Y473-Y477 WeakPolarHBondContact O-CB 3.35Å; Y473-Y477 PolarHBondContact O-N 3.42Å
474	L	92.2	Very high	88.8	Confident	72 Å²	72	59.9 Å²	59.9	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-44.9	-178.3	-71.9	170.7	0	0	0	111.7	Q470 T471 S476 Y477 V478	Q470-L474 HydrophobicContact CG-CD1 4.09Å; Q470-L474 HydrophobicContact CG-CG 4.43Å; Q470-L474 WeakPolarHBondContact O-CB 3.45Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.5Å; Q470-L474 PolarHBondContact O-N 2.79Å; T471-L474 PolarHBondContact O-N 3.25Å; L474-S476 PolarHBondContact O-N 3.17Å; L474-Y477 PolarHBondContact O-N 3.4Å; L474-V478 VanDerWaalsContact O-CB 3.3Å; L474-V478 WeakPolarHBondContact O-CB 3.31Å; L474-V478 WeakPolarHBondContact O-CG2 3.46Å; L474-V478 PolarHBondContact O-N 2.89Å
475	N	91.9	Very high	89	Confident	92 Å²	92	58.3 Å²	58.3	49%	0.492	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-47.5	177	-72.5	-14.9	0	0	0	111.2	T471 Y473 Y477 V478 W479	T471-N475 VanDerWaalsContact O-CB 3.32Å; T471-N475 WeakPolarHBondContact O-CB 3.23Å; T471-N475 PolarHBondContact O-N 2.7Å; T471-N475 PolarHBondContact O-ND2 3.41Å; Y473-N475 PolarHBondContact O-N 3.21Å; N475-Y477 PolarHBondContact O-N 3.31Å; N475-V478 PolarHBondContact O-N 2.82Å; N475-W479 PolarHBondContact O-N 2.77Å
476	S	91.2	Very high	89.2	Confident	31 Å²	31	59.4 Å²	59.4	22%	0.217	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-41.7	-180	-166.2	0	0	0	0	112.3	E465 A472 Y473 L474 K480	E465-S476 PolarHBondContact OE2-OG 2.72Å; A472-S476 VanDerWaalsContact O-CB 3.22Å; A472-S476 WeakPolarHBondContact O-CB 3.4Å; A472-S476 PolarHBondContact O-N 3.48Å; Y473-S476 PolarHBondContact O-N 3.19Å; L474-S476 PolarHBondContact O-N 3.17Å; S476-K480 WeakPolarHBondContact O-CG 3.28Å; S476-K480 PolarHBondContact O-N 3.37Å; S476-K480 PolarHBondContact O-NZ 3.36Å; S476-K480 PolarHBondContact OG-NZ 3.03Å
477	Y	93	Very high	89.3	Confident	43 Å²	43	61.9 Å²	61.9	17%	0.169	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-50.2	176.3	175.4	-108.2	0	0	0	112.1	E455 A458 H459 Y473 L474 N475 W479 K480 V481	E455-Y477 VanDerWaalsContact CG-OH 3.26Å; E455-Y477 WeakPolarHBondContact CG-OH 3.38Å; A458-Y477 HydrophobicContact CB-CD2 4.24Å; A458-Y477 HydrophobicContact CB-CE2 3.98Å; H459-Y477 HydrophobicContact CB-CE2 4.29Å; Y473-Y477 VanDerWaalsContact O-CB 3.29Å; Y473-Y477 WeakPolarHBondContact O-CB 3.35Å; Y473-Y477 PolarHBondContact O-N 3.42Å; L474-Y477 PolarHBondContact O-N 3.4Å; N475-Y477 PolarHBondContact O-N 3.31Å; Y477-W479 VanDerWaalsContact C-N 3.34Å; Y477-W479 PolarHBondContact O-N 3.39Å; Y477-K480 PolarHBondContact O-N 3.38Å; Y477-V481 HydrophobicContact CD2-CG2 4.15Å; Y477-V481 HydrophobicContact CE1-CG2 4.12Å; Y477-V481 HydrophobicContact CE2-CG2 3.7Å; Y477-V481 WeakPolarHBondContact O-CG2 3.42Å; Y477-V481 PolarHBondContact O-N 3.27Å
478	V	93	Very high	89.4	Confident	83 Å²	83	61.5 Å²	61.5	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-43.6	-178.6	168.4	0	0	0	0	110.8	L474 N475 K480 V481 F482	L474-V478 VanDerWaalsContact O-CB 3.3Å; L474-V478 WeakPolarHBondContact O-CB 3.31Å; L474-V478 WeakPolarHBondContact O-CG2 3.46Å; L474-V478 PolarHBondContact O-N 2.89Å; N475-V478 PolarHBondContact O-N 2.82Å; V478-K480 PolarHBondContact O-N 3.21Å; V478-V481 PolarHBondContact O-N 3.29Å; V478-F482 WeakPolarHBondContact O-CB 3.42Å; V478-F482 PolarHBondContact O-N 3.5Å
479	W	90.1	Very high	89.5	Confident	163 Å²	163	55.5 Å²	55.5	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-62.3	-41.1	177.4	-83.7	115.9	0	0	0	112.9	N475 Y477 F482 I483	N475-W479 PolarHBondContact O-N 2.77Å; Y477-W479 VanDerWaalsContact C-N 3.34Å; Y477-W479 PolarHBondContact O-N 3.39Å; W479-F482 HydrophobicContact CE3-CD1 4.1Å; W479-F482 HydrophobicContact CZ3-CD1 4.02Å; W479-F482 HydrophobicContact CZ3-CE1 4.25Å; W479-I483 VanDerWaalsContact O-CG1 3.3Å; W479-I483 WeakPolarHBondContact O-CG1 3.18Å; W479-I483 PolarHBondContact O-N 3.48Å
480	K	89.7	Confident	89.7	Confident	15 Å²	15	58.4 Å²	58.4	7%	0.065	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-54.1	176	-73.7	175.1	-176.9	69.3	0	111.3	S391 V395 Y454 A458 E465 S476 Y477 V478 F482 I483 F484	S391-K480 WeakPolarHBondContact OG-CE 3.34Å; S391-K480 PolarHBondContact OG-NZ 3.48Å; V395-K480 HydrophobicContact CG2-CD 4.3Å; V395-K480 HydrophobicContact CG2-CG 4.09Å; Y454-K480 WeakPolarHBondContact CE1-O 3.44Å; Y454-K480 VanDerWaalsContact OH-C 3.32Å; Y454-K480 PolarHBondContact OH-O 3.19Å; A458-K480 HydrophobicContact CB-CB 4.44Å; E465-K480 VanDerWaalsContact OE1-CE 3.26Å; E465-K480 WeakPolarHBondContact OE1-CE 3.5Å; E465-K480 IonicContact OE1-NZ 3.64Å; E465-K480 PolarHBondContact OE1-NZ 3.18Å; E465-K480 IonicContact OE2-NZ 2.65Å; E465-K480 PolarHBondContact OE2-NZ 3.46Å; S476-K480 WeakPolarHBondContact O-CG 3.28Å; S476-K480 PolarHBondContact O-N 3.37Å; S476-K480 PolarHBondContact O-NZ 3.36Å; S476-K480 PolarHBondContact OG-NZ 3.03Å; Y477-K480 PolarHBondContact O-N 3.38Å; V478-K480 PolarHBondContact O-N 3.21Å; K480-F482 VanDerWaalsContact C-N 3.32Å; K480-F482 PolarHBondContact O-N 3.21Å; K480-I483 PolarHBondContact O-N 3.06Å; K480-F484 PolarHBondContact O-N 3.38Å
481	V	91.1	Very high	89.8	Confident	19 Å²	19	54.8 Å²	54.8	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-44.3	178.6	177.3	0	0	0	0	111.2	Y454 A458 Y477 V478 F484 E485	Y454-V481 HydrophobicContact CE1-CG2 4.33Å; A458-V481 HydrophobicContact CB-CG2 3.79Å; Y477-V481 HydrophobicContact CD2-CG2 4.15Å; Y477-V481 HydrophobicContact CE1-CG2 4.12Å; Y477-V481 HydrophobicContact CE2-CG2 3.7Å; Y477-V481 WeakPolarHBondContact O-CG2 3.42Å; Y477-V481 PolarHBondContact O-N 3.27Å; V478-V481 PolarHBondContact O-N 3.29Å; V481-F484 PolarHBondContact O-N 2.89Å; V481-E485 HydrophobicContact CG1-CG 4.2Å; V481-E485 WeakPolarHBondContact O-CB 3.45Å; V481-E485 WeakPolarHBondContact O-CG 3.25Å; V481-E485 PolarHBondContact O-N 2.92Å
482	F	91.1	Very high	89.7	Confident	110 Å²	110	53 Å²	53	48%	0.482	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-50.7	179.6	174.7	-101.9	0	0	0	113.1	V478 W479 K480 F484 E485 L486	V478-F482 WeakPolarHBondContact O-CB 3.42Å; V478-F482 PolarHBondContact O-N 3.5Å; W479-F482 HydrophobicContact CE3-CD1 4.1Å; W479-F482 HydrophobicContact CZ3-CD1 4.02Å; W479-F482 HydrophobicContact CZ3-CE1 4.25Å; K480-F482 VanDerWaalsContact C-N 3.32Å; K480-F482 PolarHBondContact O-N 3.21Å; F482-F484 VanDerWaalsContact C-N 3.28Å; F482-F484 PolarHBondContact O-N 3.17Å; F482-E485 PolarHBondContact O-N 3.45Å; F482-L486 VanDerWaalsContact O-CB 3.29Å; F482-L486 WeakPolarHBondContact O-CB 3.31Å; F482-L486 PolarHBondContact O-N 3.29Å
483	I	88.3	Confident	89.7	Confident	73 Å²	73	52.3 Å²	52.3	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-41.7	-178.6	-68.6	171.4	0	0	0	110.6	W479 K480 L486 L487	W479-I483 VanDerWaalsContact O-CG1 3.3Å; W479-I483 WeakPolarHBondContact O-CG1 3.18Å; W479-I483 PolarHBondContact O-N 3.48Å; K480-I483 PolarHBondContact O-N 3.06Å; I483-L486 WeakPolarHBondContact O-CB 3.35Å; I483-L487 HydrophobicContact CG2-CD1 4.39Å; I483-L487 WeakPolarHBondContact O-CG 3.19Å; I483-L487 PolarHBondContact O-N 3.28Å; I483-L487 VanDerWaalsContact O-N 3.16Å
484	F	88.1	Confident	89.6	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-48	177.5	172.6	-90.5	0	0	0	112.4	V402 L450 Y454 K480 V481 F482 L486 L487 N488	V402-F484 HydrophobicContact CG2-CD2 3.61Å; V402-F484 HydrophobicContact CG2-CE2 3.19Å; V402-F484 HydrophobicContact CG2-CZ 4.06Å; L450-F484 HydrophobicContact CB-CZ 4Å; L450-F484 WeakPolarHBondContact O-CZ 3.42Å; Y454-F484 VanDerWaalsContact CB-CD1 3.48Å; Y454-F484 HydrophobicContact CD1-CB 3.59Å; Y454-F484 AromaticContact CD1-CD1 3.43Å; Y454-F484 HydrophobicContact CD1-CD1 3.43Å; Y454-F484 VanDerWaalsContact CD1-CD1 3.43Å; Y454-F484 HydrophobicContact CD1-CD2 4.15Å; Y454-F484 HydrophobicContact CD1-CE1 4.13Å; Y454-F484 AromaticContact CD1-CG 3.44Å; Y454-F484 HydrophobicContact CD1-CG 3.44Å; Y454-F484 VanDerWaalsContact CD1-CG 3.44Å; Y454-F484 HydrophobicContact CD2-CB 3.78Å; Y454-F484 AromaticContact CD2-CD1 3.83Å; Y454-F484 HydrophobicContact CD2-CD1 3.83Å; Y454-F484 AromaticContact CD2-CD2 3.03Å; Y454-F484 HydrophobicContact CD2-CD2 3.03Å; Y454-F484 HydrophobicContact CD2-CE1 4.17Å; Y454-F484 AromaticContact CD2-CE2 3.38Å; Y454-F484 HydrophobicContact CD2-CE2 3.38Å; Y454-F484 AromaticContact CD2-CG 3.24Å; Y454-F484 HydrophobicContact CD2-CG 3.24Å; Y454-F484 AromaticContact CD2-CZ 3.96Å; Y454-F484 HydrophobicContact CD2-CZ 3.96Å; Y454-F484 HydrophobicContact CE1-CB 3.35Å; Y454-F484 HydrophobicContact CE1-CD1 4.14Å; Y454-F484 HydrophobicContact CE1-CD2 4.47Å; Y454-F484 AromaticContact CE1-CG 3.75Å; Y454-F484 HydrophobicContact CE1-CG 3.75Å; Y454-F484 HydrophobicContact CE2-CB 3.47Å; Y454-F484 VanDerWaalsContact CE2-CB 3.47Å; Y454-F484 HydrophobicContact CE2-CD1 4.41Å; Y454-F484 AromaticContact CE2-CD2 3.38Å; Y454-F484 HydrophobicContact CE2-CD2 3.38Å; Y454-F484 HydrophobicContact CE2-CE2 4.17Å; Y454-F484 AromaticContact CE2-CG 3.5Å; Y454-F484 HydrophobicContact CE2-CG 3.5Å; Y454-F484 VanDerWaalsContact CE2-CG 3.5Å; Y454-F484 HydrophobicContact CG-CB 3.82Å; Y454-F484 AromaticContact CG-CD1 3.27Å; Y454-F484 HydrophobicContact CG-CD1 3.27Å; Y454-F484 AromaticContact CG-CD2 3.45Å; Y454-F484 HydrophobicContact CG-CD2 3.45Å; Y454-F484 VanDerWaalsContact CG-CD2 3.45Å; Y454-F484 AromaticContact CG-CE1 3.59Å; Y454-F484 HydrophobicContact CG-CE1 3.59Å; Y454-F484 AromaticContact CG-CE2 3.69Å; Y454-F484 HydrophobicContact CG-CE2 3.69Å; Y454-F484 AromaticContact CG-CG 3.19Å; Y454-F484 HydrophobicContact CG-CG 3.19Å; Y454-F484 AromaticContact CG-CZ 3.77Å; Y454-F484 HydrophobicContact CG-CZ 3.77Å; Y454-F484 AromaticContact CZ-CG 3.77Å; K480-F484 PolarHBondContact O-N 3.38Å; V481-F484 PolarHBondContact O-N 2.89Å; F482-F484 VanDerWaalsContact C-N 3.28Å; F482-F484 PolarHBondContact O-N 3.17Å; F484-L486 PolarHBondContact O-N 3.09Å; F484-L487 PolarHBondContact O-N 3.37Å; F484-N488 HydrophobicContact CD1-CB 4.35Å; F484-N488 HydrophobicContact CE1-CB 3.92Å; F484-N488 HydrophobicContact CZ-CB 4.04Å; F484-N488 VanDerWaalsContact O-CB 3.26Å; F484-N488 WeakPolarHBondContact O-CB 3.17Å; F484-N488 PolarHBondContact O-N 3.26Å
485	E	88.4	Confident	89.3	Confident	69 Å²	69	55.3 Å²	55.3	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-34.1	178.3	-79.8	-161.8	-153.6	0	0	111.7	V481 F482 N489 R537	V481-E485 HydrophobicContact CG1-CG 4.2Å; V481-E485 WeakPolarHBondContact O-CB 3.45Å; V481-E485 WeakPolarHBondContact O-CG 3.25Å; V481-E485 PolarHBondContact O-N 2.92Å; F482-E485 PolarHBondContact O-N 3.45Å; E485-N489 WeakPolarHBondContact O-CB 3.07Å; E485-N489 PolarHBondContact O-N 3.14Å; E485-N489 PolarHBondContact O-ND2 3.08Å; E485-R537 IonicContact OE2-CZ 3.99Å; E485-R537 IonicContact OE2-NH1 3.28Å; E485-R537 IonicContact OE2-NH2 3.75Å; E485-R537 PolarHBondContact OE2-NH2 3Å
486	L	89.4	Confident	88.9	Confident	68 Å²	68	51.2 Å²	51.2	36%	0.356	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-53	173.3	-178.9	72.6	0	0	0	110.8	F482 I483 F484 F490	F482-L486 VanDerWaalsContact O-CB 3.29Å; F482-L486 WeakPolarHBondContact O-CB 3.31Å; F482-L486 PolarHBondContact O-N 3.29Å; I483-L486 WeakPolarHBondContact O-CB 3.35Å; F484-L486 PolarHBondContact O-N 3.09Å; L486-F490 HydrophobicContact CD1-CD2 3.79Å; L486-F490 HydrophobicContact CD1-CE2 4.17Å; L486-F490 VanDerWaalsContact O-CB 3.31Å; L486-F490 WeakPolarHBondContact O-CB 3.35Å; L486-F490 WeakPolarHBondContact O-CD2 3.42Å; L486-F490 PolarHBondContact O-N 3.2Å
487	L	88.4	Confident	88.7	Confident	59 Å²	59	52.5 Å²	52.5	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-42.3	-178.7	-66.6	174.7	0	0	0	112.6	V399 V402 I483 F484 G491	V399-L487 HydrophobicContact CG1-CD1 4.08Å; V399-L487 HydrophobicContact CG2-CD1 4.12Å; V402-L487 HydrophobicContact CG1-CB 4.3Å; I483-L487 HydrophobicContact CG2-CD1 4.39Å; I483-L487 WeakPolarHBondContact O-CG 3.19Å; I483-L487 PolarHBondContact O-N 3.28Å; I483-L487 VanDerWaalsContact O-N 3.16Å; F484-L487 PolarHBondContact O-N 3.37Å; L487-G491 WeakPolarHBondContact O-CA 3.22Å; L487-G491 PolarHBondContact O-N 2.87Å
488	N	88.6	Confident	88.5	Confident	7 Å²	7	56 Å²	56	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-71	-41.1	-176.5	-173.6	50.1	0	0	0	112.1	V402 V447 F484 P492	V402-N488 HydrophobicContact CG1-CB 4.48Å; V447-N488 WeakPolarHBondContact CG2-O 3.4Å; V447-N488 PolarHBondContact O-ND2 3.19Å; F484-N488 HydrophobicContact CD1-CB 4.35Å; F484-N488 HydrophobicContact CE1-CB 3.92Å; F484-N488 HydrophobicContact CZ-CB 4.04Å; F484-N488 VanDerWaalsContact O-CB 3.26Å; F484-N488 WeakPolarHBondContact O-CB 3.17Å; F484-N488 PolarHBondContact O-N 3.26Å; N488-P492 WeakPolarHBondContact O-CD 3.35Å
489	N	86.8	Confident	88	Confident	25 Å²	25	56.5 Å²	56.5	13%	0.134	28%	0.279	C	S	.	.	H	α-helix	trans	-82.3	-40.9	-179.4	-65.4	-57.9	0	0	0	112.9	V447 E485 R537	V447-N489 VanDerWaalsContact CG1-OD1 3.23Å; V447-N489 WeakPolarHBondContact CG1-OD1 3.5Å; E485-N489 WeakPolarHBondContact O-CB 3.07Å; E485-N489 PolarHBondContact O-N 3.14Å; E485-N489 PolarHBondContact O-ND2 3.08Å; N489-R537 PolarHBondContact ND2-NH1 3.16Å; N489-R537 PolarHBondContact OD1-NH1 3.22Å
490	F	88.9	Confident	87.5	Confident	98 Å²	98	49.7 Å²	49.7	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-95.9	-17.5	-176.2	-61.7	-81.9	0	0	0	113.7	L486 I493 F494	L486-F490 HydrophobicContact CD1-CD2 3.79Å; L486-F490 HydrophobicContact CD1-CE2 4.17Å; L486-F490 VanDerWaalsContact O-CB 3.31Å; L486-F490 WeakPolarHBondContact O-CB 3.35Å; L486-F490 WeakPolarHBondContact O-CD2 3.42Å; L486-F490 PolarHBondContact O-N 3.2Å; F490-I493 HydrophobicContact CD1-CD1 4.25Å; F490-I493 WeakPolarHBondContact O-CB 3.19Å; F490-I493 PolarHBondContact O-N 3.09Å; F490-I493 VanDerWaalsContact O-N 3.12Å; F490-F494 HydrophobicContact CB-CD2 3.9Å; F490-F494 HydrophobicContact CB-CE2 3.43Å; F490-F494 VanDerWaalsContact CB-CE2 3.43Å; F490-F494 HydrophobicContact CB-CZ 3.81Å; F490-F494 HydrophobicContact CG-CE2 4.47Å; F490-F494 HydrophobicContact CG-CZ 4.49Å; F490-F494 WeakPolarHBondContact O-CD2 3.25Å; F490-F494 WeakPolarHBondContact O-CG 3.39Å; F490-F494 PolarHBondContact O-N 2.97Å
491	G	87.9	Confident	86.7	Confident	7 Å²	7	50.3 Å²	50.3	7%	0.072	26%	0.263	C	S	.	.	H	α-helix	trans	-52.6	-53.4	177.8	0	0	0	0	0	113.5	M406 L487 I493 F494 Y495	M406-G491 WeakPolarHBondContact CE-O 3.11Å; L487-G491 WeakPolarHBondContact O-CA 3.22Å; L487-G491 PolarHBondContact O-N 2.87Å; G491-I493 VanDerWaalsContact C-N 3.27Å; G491-I493 PolarHBondContact O-N 3.22Å; G491-F494 PolarHBondContact O-N 3.13Å; G491-Y495 PolarHBondContact O-N 3.41Å
492	P	86.3	Confident	86.1	Confident	21 Å²	21	55.7 Å²	55.7	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-37.4	176.8	-25.9	35.2	0	0	0	113.2	T443 V447 N488 Y495 A496	T443-P492 HydrophobicContact CG2-CB 3.84Å; T443-P492 HydrophobicContact CG2-CG 3.82Å; V447-P492 HydrophobicContact CG2-CG 4.38Å; N488-P492 WeakPolarHBondContact O-CD 3.35Å; P492-Y495 PolarHBondContact O-N 3.5Å; P492-A496 WeakPolarHBondContact O-CB 3.05Å; P492-A496 PolarHBondContact O-N 3.04Å
493	I	88.3	Confident	85	Confident	22 Å²	22	56 Å²	56	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-45.3	178.6	-60.2	164.5	0	0	0	110.4	F490 G491 Y495 A496 A497 A529 I530 L533	F490-I493 HydrophobicContact CD1-CD1 4.25Å; F490-I493 WeakPolarHBondContact O-CB 3.19Å; F490-I493 PolarHBondContact O-N 3.09Å; F490-I493 VanDerWaalsContact O-N 3.12Å; G491-I493 VanDerWaalsContact C-N 3.27Å; G491-I493 PolarHBondContact O-N 3.22Å; I493-Y495 VanDerWaalsContact C-N 3.32Å; I493-Y495 PolarHBondContact O-N 3.48Å; I493-A496 PolarHBondContact O-N 3.15Å; I493-A497 VanDerWaalsContact O-CB 3.3Å; I493-A497 WeakPolarHBondContact O-CB 3.3Å; I493-A497 PolarHBondContact O-N 3.28Å; I493-A529 HydrophobicContact CG1-CB 4.31Å; I493-I530 HydrophobicContact CD1-CG1 3.71Å; I493-I530 HydrophobicContact CG1-CG1 4.11Å; I493-I530 HydrophobicContact CG2-CD1 4Å; I493-I530 HydrophobicContact CG2-CG1 3.9Å; I493-L533 HydrophobicContact CD1-CD1 4.17Å; I493-L533 HydrophobicContact CG1-CD1 4.21Å
494	F	89.2	Confident	83.9	Confident	106 Å²	106	60.1 Å²	60.1	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-39.9	176.5	-67.7	-41.7	0	0	0	111.8	F490 G491 A497 L498	F490-F494 HydrophobicContact CB-CD2 3.9Å; F490-F494 HydrophobicContact CB-CE2 3.43Å; F490-F494 VanDerWaalsContact CB-CE2 3.43Å; F490-F494 HydrophobicContact CB-CZ 3.81Å; F490-F494 HydrophobicContact CG-CE2 4.47Å; F490-F494 HydrophobicContact CG-CZ 4.49Å; F490-F494 WeakPolarHBondContact O-CD2 3.25Å; F490-F494 WeakPolarHBondContact O-CG 3.39Å; F490-F494 PolarHBondContact O-N 2.97Å; G491-F494 PolarHBondContact O-N 3.13Å; F494-A497 PolarHBondContact O-N 3.04Å; F494-L498 VanDerWaalsContact O-CB 3.28Å; F494-L498 WeakPolarHBondContact O-CB 3.48Å; F494-L498 PolarHBondContact O-N 3.32Å
495	Y	85.7	Confident	82.9	Confident	44 Å²	44	60.5 Å²	60.5	17%	0.173	31%	0.313	C	S	.	.	I	π-helix	trans	-60.7	-51.5	174.3	176.7	-96.2	0	0	0	111.4	I410 G491 P492 I493 A497 I499 R500 E515	I410-Y495 HydrophobicContact CD1-CD1 4.39Å; I410-Y495 HydrophobicContact CD1-CD2 3.8Å; I410-Y495 HydrophobicContact CD1-CE1 3.99Å; I410-Y495 HydrophobicContact CD1-CE2 3.34Å; I410-Y495 HydrophobicContact CD1-CG 4.3Å; I410-Y495 VanDerWaalsContact CD1-CZ 3.45Å; I410-Y495 HydrophobicContact CG1-CD1 4.33Å; I410-Y495 HydrophobicContact CG1-CE1 3.78Å; I410-Y495 HydrophobicContact CG1-CE2 4.06Å; G491-Y495 PolarHBondContact O-N 3.41Å; P492-Y495 PolarHBondContact O-N 3.5Å; I493-Y495 VanDerWaalsContact C-N 3.32Å; I493-Y495 PolarHBondContact O-N 3.48Å; Y495-A497 VanDerWaalsContact C-N 3.28Å; Y495-A497 PolarHBondContact O-N 3.29Å; Y495-I499 HydrophobicContact CD2-CB 3.9Å; Y495-I499 HydrophobicContact CD2-CD1 3.96Å; Y495-I499 HydrophobicContact CD2-CG1 4.49Å; Y495-I499 HydrophobicContact CD2-CG2 4.02Å; Y495-I499 HydrophobicContact CE2-CB 4.04Å; Y495-I499 HydrophobicContact CE2-CG2 3.68Å; Y495-I499 PolarHBondContact O-N 3.3Å; Y495-I499 VanDerWaalsContact O-N 3.08Å; Y495-R500 HydrophobicContact CE1-CB 4.43Å; Y495-R500 PolarHBondContact O-N 2.69Å; Y495-R500 VanDerWaalsContact O-N 3.1Å; Y495-E515 VanDerWaalsContact OH-CD 3.27Å; Y495-E515 PolarHBondContact OH-OE1 3.48Å; Y495-E515 PolarHBondContact OH-OE2 2.82Å
496	A	83.8	Confident	82.2	Confident	7 Å²	7	63.4 Å²	63.4	6%	0.058	33%	0.33	C	S	.	.	I	π-helix	trans	-62.3	-33.5	-179.4	0	0	0	0	0	113	P492 I493 P526	P492-A496 WeakPolarHBondContact O-CB 3.05Å; P492-A496 PolarHBondContact O-N 3.04Å; I493-A496 PolarHBondContact O-N 3.15Å; A496-P526 HydrophobicContact CB-CB 4.17Å
497	A	87.6	Confident	81.3	Confident	57 Å²	57	64.1 Å²	64.1	47%	0.471	34%	0.338	S	S	.	.	I	π-helix	trans	-85.7	-37.4	-178.4	0	0	0	0	0	114.2	I493 F494 Y495 P526	I493-A497 VanDerWaalsContact O-CB 3.3Å; I493-A497 WeakPolarHBondContact O-CB 3.3Å; I493-A497 PolarHBondContact O-N 3.28Å; F494-A497 PolarHBondContact O-N 3.04Å; Y495-A497 VanDerWaalsContact C-N 3.28Å; Y495-A497 PolarHBondContact O-N 3.29Å; A497-P526 HydrophobicContact CB-CB 4.23Å; A497-P526 HydrophobicContact CB-CG 4.45Å
498	L	87.5	Confident	80.5	Confident	118 Å²	118	69.2 Å²	69.2	62%	0.618	37%	0.366	S	S	*	.	I	π-helix	trans	-108.4	-32.1	-167.6	-59.1	175.9	0	0	0	114.4	F494 Q502	F494-L498 VanDerWaalsContact O-CB 3.28Å; F494-L498 WeakPolarHBondContact O-CB 3.48Å; F494-L498 PolarHBondContact O-N 3.32Å; L498-Q502 WeakPolarHBondContact O-CG 3.21Å
499	I	83.7	Confident	79.5	Confident	93 Å²	93	73.9 Å²	73.9	48%	0.477	39%	0.391	S	S	.	.	I	π-helix	trans	-105.9	-38.7	-170.4	-62.7	171.6	0	0	0	111	Y495 G501 Q502	Y495-I499 HydrophobicContact CD2-CB 3.9Å; Y495-I499 HydrophobicContact CD2-CD1 3.96Å; Y495-I499 HydrophobicContact CD2-CG1 4.49Å; Y495-I499 HydrophobicContact CD2-CG2 4.02Å; Y495-I499 HydrophobicContact CE2-CB 4.04Å; Y495-I499 HydrophobicContact CE2-CG2 3.68Å; Y495-I499 PolarHBondContact O-N 3.3Å; Y495-I499 VanDerWaalsContact O-N 3.08Å; I499-G501 PolarHBondContact O-N 3.09Å; I499-Q502 WeakPolarHBondContact O-CB 3.33Å; I499-Q502 PolarHBondContact O-N 2.73Å
500	R	78.8	Confident	78.4	Confident	20 Å²	20	74.7 Å²	74.7	8%	0.075	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	129.4	-175.7	-163.8	-83.9	-165	88.1	-9.1	110.5	Y495 Q502 E515 F516 C517 E525	Y495-R500 HydrophobicContact CE1-CB 4.43Å; Y495-R500 PolarHBondContact O-N 2.69Å; Y495-R500 VanDerWaalsContact O-N 3.1Å; R500-Q502 VanDerWaalsContact C-N 3.31Å; R500-Q502 PolarHBondContact O-N 2.63Å; R500-E515 HydrophobicContact CG-CB 4.35Å; R500-E515 WeakPolarHBondContact CG-OE2 3.08Å; R500-F516 PolarHBondContact NE-O 3.29Å; R500-F516 PolarHBondContact NH2-O 3.01Å; R500-C517 WeakPolarHBondContact CD-SG 3.45Å; R500-E525 IonicContact CZ-OE1 2.96Å; R500-E525 IonicContact CZ-OE2 2.63Å; R500-E525 IonicContact NH1-OE1 2.69Å; R500-E525 PolarHBondContact NH1-OE1 2.82Å; R500-E525 IonicContact NH1-OE2 3.54Å; R500-E525 PolarHBondContact NH1-OE2 3.38Å; R500-E525 IonicContact NH2-OE1 2.72Å; R500-E525 IonicContact NH2-OE2 3.87Å; R500-E525 PolarHBondContact NH2-OE2 2.93Å
501	G	73.6	Confident	77	Confident	27 Å²	27	75.2 Å²	75.2	28%	0.278	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.1	-179.8	0	0	0	0	0	116.2	I499	I499-G501 PolarHBondContact O-N 3.09Å
502	Q	77	Confident	75.8	Confident	132 Å²	132	81.5 Å²	81.5	62%	0.617	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.2	178.3	-66	-64.5	-35.2	0	0	112.5	L498 I499 R500 F504	L498-Q502 WeakPolarHBondContact O-CG 3.21Å; I499-Q502 WeakPolarHBondContact O-CB 3.33Å; I499-Q502 PolarHBondContact O-N 2.73Å; R500-Q502 VanDerWaalsContact C-N 3.31Å; R500-Q502 PolarHBondContact O-N 2.63Å; Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 PolarHBondContact O-N 3.04Å; Q502-F504 VanDerWaalsContact O-N 3.07Å
503	N	68.5	Low	74.6	Confident	117 Å²	117	83.2 Å²	83.2	63%	0.626	44%	0.44	S	S	*	.	S	Bend	trans	-87	55.3	-178.1	-71	-21	0	0	0	112	K514	N503-K514 HydrophobicContact CB-CD 4.49Å; N503-K514 WeakPolarHBondContact O-CD 3.41Å; N503-K514 PolarHBondContact O-NZ 2.86Å
504	F	66	Low	73.5	Confident	160 Å²	160	86 Å²	86	70%	0.702	45%	0.452	S	S	*	.			trans	-74.4	144.9	175.9	69.6	-87.5	0	0	0	111.2	Q502	Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 PolarHBondContact O-N 3.04Å; Q502-F504 VanDerWaalsContact O-N 3.07Å
505	S	66.4	Low	72.5	Confident	14 Å²	14	82.4 Å²	82.4	10%	0.098	44%	0.436	C	S	.	.			trans	-118.2	150.5	162.5	41.4	0	0	0	0	108.6
506	L	73.4	Confident	71.8	Confident	129 Å²	129	82.8 Å²	82.8	68%	0.675	44%	0.439	S	S	*	.			trans	-56.7	148.5	170.5	-74.4	128.2	0	0	0	109	N508 D509	L506-N508 PolarHBondContact O-N 3.17Å; L506-D509 PolarHBondContact O-N 3.02Å
507	P	71.9	Confident	71.6	Confident	83 Å²	83	84 Å²	84	54%	0.539	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-51.5	-31.2	-179.1	-28.4	34.7	0	0	0	113.8	D509	P507-D509 VanDerWaalsContact C-N 3.3Å; P507-D509 PolarHBondContact O-N 3.17Å
508	N	70.2	Confident	71	Confident	167 Å²	167	82.8 Å²	82.8	89%	0.893	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-77.2	-11	-179.3	-153.5	38.7	0	0	0	114.5	L506	L506-N508 PolarHBondContact O-N 3.17Å
509	D	68.7	Low	70.5	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-115.3	21.1	-175.2	-164	27.1	0	0	0	111.8	L506 P507 T511	L506-D509 PolarHBondContact O-N 3.02Å; P507-D509 VanDerWaalsContact C-N 3.3Å; P507-D509 PolarHBondContact O-N 3.17Å; D509-T511 PolarHBondContact O-N 2.89Å; D509-T511 VanDerWaalsContact O-N 3.09Å
510	Q	63.1	Low	70	Confident	41 Å²	41	76.1 Å²	76.1	19%	0.192	41%	0.405	C	S	.	.			trans	-81.8	86	179.4	-67	-170.4	2.5	0	0	111	F516	Q510-F516 VanDerWaalsContact NE2-CZ 3.27Å
511	T	60.5	Low	70	Confident	110 Å²	110	76.5 Å²	76.5	68%	0.675	42%	0.415	S	S	*	.	S	Bend	trans	-79.8	-25.2	169	48.8	0	0	0	0	112.8	D509	D509-T511 PolarHBondContact O-N 2.89Å; D509-T511 VanDerWaalsContact O-N 3.09Å
512	H	61.1	Low	70.5	Confident	138 Å²	138	77.5 Å²	77.5	64%	0.639	42%	0.417	S	S	*	.	S	Bend	trans	-139.4	147.1	-179.8	-63.7	-74.1	0	0	0	111.1	K514	H512-K514 PolarHBondContact O-N 3.27Å
513	L	61	Low	71	Confident	57 Å²	57	74.5 Å²	74.5	30%	0.298	41%	0.405	S	S	.	.			trans	-63.2	118	172.9	-158	78.7	0	0	0	108.7	C309 I414 Y417	C309-L513 HydrophobicContact CB-CD1 4.46Å; I414-L513 HydrophobicContact CG2-CD2 3.79Å; Y417-L513 HydrophobicContact CD1-CD2 4.25Å
514	K	65.2	Low	71.7	Confident	82 Å²	82	69.7 Å²	69.7	36%	0.357	38%	0.38	S	S	.	.			trans	-107.9	157.9	174.9	-65.1	-169.8	-173.4	166.8	0	110.1	N503 H512 F516	N503-K514 HydrophobicContact CB-CD 4.49Å; N503-K514 WeakPolarHBondContact O-CD 3.41Å; N503-K514 PolarHBondContact O-NZ 2.86Å; H512-K514 PolarHBondContact O-N 3.27Å; K514-F516 HydrophobicContact CB-CE2 4.36Å; K514-F516 HydrophobicContact CB-CZ 4.45Å; K514-F516 WeakPolarHBondContact O-CD2 3.3Å; K514-F516 WeakPolarHBondContact O-CE2 3.27Å; K514-F516 PolarHBondContact O-N 2.85Å
515	E	69.2	Low	72.4	Confident	29 Å²	29	63.1 Å²	63.1	14%	0.136	35%	0.351	C	S	.	.			trans	-74.1	122.1	175.1	-67	-166	-173.5	0	0	110.8	I410 R413 Y495 R500	I410-E515 WeakPolarHBondContact CG2-OE1 3.3Å; R413-E515 WeakPolarHBondContact CD-OE1 3.09Å; R413-E515 IonicContact CZ-OE2 2.62Å; R413-E515 IonicContact NH1-OE2 2.99Å; R413-E515 PolarHBondContact NH1-OE2 3.18Å; R413-E515 VanDerWaalsContact NH1-OE2 3.09Å; Y495-E515 VanDerWaalsContact OH-CD 3.27Å; Y495-E515 PolarHBondContact OH-OE1 3.48Å; Y495-E515 PolarHBondContact OH-OE2 2.82Å; R500-E515 HydrophobicContact CG-CB 4.35Å; R500-E515 WeakPolarHBondContact CG-OE2 3.08Å
516	F	71.3	Confident	73.4	Confident	52 Å²	52	62.9 Å²	62.9	23%	0.228	35%	0.349	C	S	.	.			trans	-104	156.5	176.1	-62.8	-90	0	0	0	111.1	V308 R500 Q510 K514	V308-F516 HydrophobicContact CB-CD2 4.44Å; V308-F516 HydrophobicContact CG1-CB 3.72Å; V308-F516 HydrophobicContact CG1-CD2 3.07Å; V308-F516 HydrophobicContact CG1-CE2 3.74Å; V308-F516 HydrophobicContact CG1-CG 3.52Å; R500-F516 PolarHBondContact NE-O 3.29Å; R500-F516 PolarHBondContact NH2-O 3.01Å; Q510-F516 VanDerWaalsContact NE2-CZ 3.27Å; K514-F516 HydrophobicContact CB-CE2 4.36Å; K514-F516 HydrophobicContact CB-CZ 4.45Å; K514-F516 WeakPolarHBondContact O-CD2 3.3Å; K514-F516 WeakPolarHBondContact O-CE2 3.27Å; K514-F516 PolarHBondContact O-N 2.85Å
517	C	78.7	Confident	74.2	Confident	33 Å²	33	58.8 Å²	58.8	22%	0.223	33%	0.329	C	S	.	.			trans	-91.6	155.3	166.8	-64.7	0	0	0	0	110.5	R500 C522	R500-C517 WeakPolarHBondContact CD-SG 3.45Å; C517-C522 HydrophobicContact CB-CB 3.91Å; C517-C522 WeakPolarHBondContact CB-SG 3.38Å; C517-C522 WeakPolarHBondContact SG-CB 3.44Å; C517-C522 CovalentContact SG-SG 2.01Å; C517-C522 PolarHBondContact SG-SG 3.45Å
518	D	76.4	Confident	74.9	Confident	31 Å²	31	57.1 Å²	57.1	17%	0.166	31%	0.314	C	S	.	.			trans	-62.9	142.2	165.5	-174.8	-80.6	0	0	0	108.9	S322 S325 G520 G521	S322-D518 VanDerWaalsContact CB-OD1 3.31Å; S322-D518 WeakPolarHBondContact CB-OD1 3.29Å; S322-D518 PolarHBondContact OG-OD1 3.08Å; S322-D518 PolarHBondContact OG-OD2 3.01Å; S325-D518 VanDerWaalsContact CB-OD1 3.27Å; S325-D518 WeakPolarHBondContact CB-OD1 3.11Å; S325-D518 VanDerWaalsContact OG-CG 3.24Å; S325-D518 PolarHBondContact OG-OD1 2.9Å; D518-G520 PolarHBondContact O-N 3.34Å; D518-G520 WeakPolarHBondContact OD1-CA 3.43Å; D518-G520 PolarHBondContact OD1-N 2.97Å; D518-G521 CarbonylContact O-C 3.35Å; D518-G521 WeakPolarHBondContact O-CA 3.47Å; D518-G521 PolarHBondContact O-N 3.47Å
519	P	75.3	Confident	75.7	Confident	55 Å²	55	49.5 Å²	49.5	36%	0.357	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.1	-179.2	33.4	-44.9	0	0	0	112.5	M305 W317 L319 S322 G521	M305-P519 HydrophobicContact CE-CB 4.01Å; W317-P519 HydrophobicContact CH2-CB 4.45Å; W317-P519 VanDerWaalsContact CH2-CD 3.44Å; W317-P519 HydrophobicContact CH2-CG 3.47Å; W317-P519 VanDerWaalsContact CH2-CG 3.47Å; W317-P519 HydrophobicContact CZ3-CG 4.01Å; L319-P519 HydrophobicContact CD1-CB 3.89Å; L319-P519 HydrophobicContact CD1-CG 3.8Å; S322-P519 VanDerWaalsContact CB-CG 3.48Å; S322-P519 WeakPolarHBondContact OG-CD 3.46Å; S322-P519 WeakPolarHBondContact OG-CG 3.39Å; P519-G521 PolarHBondContact O-N 3.28Å
520	G	73.3	Confident	76.8	Confident	16 Å²	16	48.4 Å²	48.4	17%	0.165	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14	172.2	0	0	0	0	0	112.4	N329 D518	N329-G520 WeakPolarHBondContact CB-O 3.44Å; N329-G520 PolarHBondContact ND2-O 2.93Å; D518-G520 PolarHBondContact O-N 3.34Å; D518-G520 WeakPolarHBondContact OD1-CA 3.43Å; D518-G520 PolarHBondContact OD1-N 2.97Å
521	G	79.4	Confident	78	Confident	28 Å²	28	48.3 Å²	48.3	29%	0.289	27%	0.274	S	S	.	.			trans	126.8	161.5	177.9	0	0	0	0	0	113.8	N329 D518 P519	N329-G521 VanDerWaalsContact ND2-CA 3.29Å; N329-G521 WeakPolarHBondContact ND2-CA 3.26Å; N329-G521 PolarHBondContact ND2-N 3.49Å; N329-G521 PolarHBondContact ND2-O 3.09Å; N329-G521 VanDerWaalsContact ND2-O 3.09Å; D518-G521 CarbonylContact O-C 3.35Å; D518-G521 WeakPolarHBondContact O-CA 3.47Å; D518-G521 PolarHBondContact O-N 3.47Å; P519-G521 PolarHBondContact O-N 3.28Å
522	C	83.2	Confident	79.2	Confident	49 Å²	49	46 Å²	46	33%	0.331	26%	0.257	S	S	.	.	S	Bend	trans	-86.8	-11.1	178.6	-45	0	0	0	0	113.9	C517 N524 P526	C517-C522 HydrophobicContact CB-CB 3.91Å; C517-C522 WeakPolarHBondContact CB-SG 3.38Å; C517-C522 WeakPolarHBondContact SG-CB 3.44Å; C517-C522 CovalentContact SG-SG 2.01Å; C517-C522 PolarHBondContact SG-SG 3.45Å; C522-N524 PolarHBondContact O-N 2.78Å; C522-P526 WeakPolarHBondContact O-CD 3.41Å
523	L	87.4	Confident	80.4	Confident	68 Å²	68	40.3 Å²	40.3	36%	0.356	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-29.1	-164.1	-176.1	63.2	0	0	0	113.7	N329 F332 D333 E525 P526 V527	N329-L523 WeakPolarHBondContact OD1-CB 3.38Å; N329-L523 PolarHBondContact OD1-N 3.4Å; F332-L523 HydrophobicContact CB-CD2 3.51Å; F332-L523 HydrophobicContact CB-CG 4.1Å; D333-L523 HydrophobicContact CB-CD2 4.03Å; L523-E525 PolarHBondContact O-N 2.91Å; L523-P526 HydrophobicContact CD1-CG 4.38Å; L523-P526 WeakPolarHBondContact O-CD 3.5Å; L523-P526 VanDerWaalsContact O-CG 3.27Å; L523-P526 WeakPolarHBondContact O-CG 3.37Å; L523-V527 HydrophobicContact CG-CG2 4.38Å; L523-V527 VanDerWaalsContact O-CG2 3.3Å; L523-V527 WeakPolarHBondContact O-CG2 3.33Å; L523-V527 PolarHBondContact O-N 3.42Å
524	N	83.5	Confident	81.6	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-39	178.1	-175.5	22	0	0	0	111.6	N329 C522 V527 Q528	N329-N524 WeakPolarHBondContact OD1-CB 3.32Å; N329-N524 PolarHBondContact OD1-N 3.15Å; C522-N524 PolarHBondContact O-N 2.78Å; N524-V527 PolarHBondContact O-N 3.23Å; N524-Q528 PolarHBondContact ND2-NE2 3.01Å; N524-Q528 WeakPolarHBondContact O-CB 3.37Å; N524-Q528 VanDerWaalsContact O-CG 3.31Å; N524-Q528 WeakPolarHBondContact O-CG 3.43Å; N524-Q528 PolarHBondContact O-N 3.29Å; N524-Q528 PolarHBondContact OD1-NE2 3.11Å
525	E	81	Confident	82.7	Confident	22 Å²	22	43.4 Å²	43.4	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-51.8	-176.3	-166.8	168.7	127	0	0	115.2	R413 H440 R500 L523 V527 Q528 A529	R413-E525 IonicContact CZ-OE1 3.07Å; R413-E525 IonicContact CZ-OE2 3.09Å; R413-E525 IonicContact NH1-OE1 3.68Å; R413-E525 PolarHBondContact NH1-OE1 3.27Å; R413-E525 IonicContact NH1-OE2 2.97Å; R413-E525 IonicContact NH2-OE1 2.73Å; R413-E525 PolarHBondContact NH2-OE1 2.03Å; R413-E525 IonicContact NH2-OE2 3.94Å; R413-E525 PolarHBondContact NH2-OE2 3.24Å; H440-E525 PolarHBondContact NE2-O 3.37Å; R500-E525 IonicContact CZ-OE1 2.96Å; R500-E525 IonicContact CZ-OE2 2.63Å; R500-E525 IonicContact NH1-OE1 2.69Å; R500-E525 PolarHBondContact NH1-OE1 2.82Å; R500-E525 IonicContact NH1-OE2 3.54Å; R500-E525 PolarHBondContact NH1-OE2 3.38Å; R500-E525 IonicContact NH2-OE1 2.72Å; R500-E525 IonicContact NH2-OE2 3.87Å; R500-E525 PolarHBondContact NH2-OE2 2.93Å; L523-E525 PolarHBondContact O-N 2.91Å; E525-V527 PolarHBondContact O-N 3.31Å; E525-Q528 PolarHBondContact O-N 3.45Å; E525-Q528 VanDerWaalsContact O-N 3.13Å; E525-A529 WeakPolarHBondContact O-CB 3.48Å; E525-A529 PolarHBondContact O-N 3.5Å
526	P	88.4	Confident	83.5	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-30.6	173.7	22.5	-31.7	0	0	0	111.7	A496 A497 C522 L523 A529 I530	A496-P526 HydrophobicContact CB-CB 4.17Å; A497-P526 HydrophobicContact CB-CB 4.23Å; A497-P526 HydrophobicContact CB-CG 4.45Å; C522-P526 WeakPolarHBondContact O-CD 3.41Å; L523-P526 HydrophobicContact CD1-CG 4.38Å; L523-P526 WeakPolarHBondContact O-CD 3.5Å; L523-P526 VanDerWaalsContact O-CG 3.27Å; L523-P526 WeakPolarHBondContact O-CG 3.37Å; P526-A529 PolarHBondContact O-N 3.14Å; P526-I530 WeakPolarHBondContact O-CB 3.44Å; P526-I530 WeakPolarHBondContact O-CD1 3.45Å; P526-I530 WeakPolarHBondContact O-CG1 3.36Å; P526-I530 PolarHBondContact O-N 3.46Å
527	V	89.4	Confident	84.1	Confident	42 Å²	42	45.3 Å²	45.3	26%	0.255	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-45.2	173.6	175.6	0	0	0	0	111.7	F332 L523 N524 E525 A529 I530 A531	F332-V527 HydrophobicContact CD1-CG1 4.39Å; F332-V527 HydrophobicContact CD1-CG2 4.47Å; F332-V527 HydrophobicContact CD2-CB 4.3Å; F332-V527 HydrophobicContact CD2-CG1 4.19Å; F332-V527 HydrophobicContact CD2-CG2 4.02Å; F332-V527 HydrophobicContact CE1-CG1 3.91Å; F332-V527 HydrophobicContact CE2-CB 4.14Å; F332-V527 HydrophobicContact CE2-CG1 3.67Å; F332-V527 HydrophobicContact CE2-CG2 4.33Å; F332-V527 HydrophobicContact CG-CG2 4.12Å; F332-V527 HydrophobicContact CZ-CB 4.47Å; F332-V527 HydrophobicContact CZ-CG1 3.53Å; L523-V527 HydrophobicContact CG-CG2 4.38Å; L523-V527 VanDerWaalsContact O-CG2 3.3Å; L523-V527 WeakPolarHBondContact O-CG2 3.33Å; L523-V527 PolarHBondContact O-N 3.42Å; N524-V527 PolarHBondContact O-N 3.23Å; E525-V527 PolarHBondContact O-N 3.31Å; V527-A529 VanDerWaalsContact C-N 3.33Å; V527-A529 PolarHBondContact O-N 2.99Å; V527-I530 PolarHBondContact O-N 3.39Å; V527-A531 WeakPolarHBondContact O-CB 3.5Å; V527-A531 PolarHBondContact O-N 2.87Å
528	Q	85.8	Confident	84.6	Confident	48 Å²	48	47.9 Å²	47.9	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-43.1	173.3	-74.1	178.3	-6.5	0	0	111.4	S436 N524 E525 A531 I532	S436-Q528 PolarHBondContact OG-OE1 3.39Å; N524-Q528 PolarHBondContact ND2-NE2 3.01Å; N524-Q528 WeakPolarHBondContact O-CB 3.37Å; N524-Q528 VanDerWaalsContact O-CG 3.31Å; N524-Q528 WeakPolarHBondContact O-CG 3.43Å; N524-Q528 PolarHBondContact O-N 3.29Å; N524-Q528 PolarHBondContact OD1-NE2 3.11Å; E525-Q528 PolarHBondContact O-N 3.45Å; E525-Q528 VanDerWaalsContact O-N 3.13Å; Q528-A531 PolarHBondContact O-N 2.75Å; Q528-I532 WeakPolarHBondContact O-CB 3.27Å; Q528-I532 VanDerWaalsContact O-CG1 3.32Å; Q528-I532 WeakPolarHBondContact O-CG1 3.31Å; Q528-I532 PolarHBondContact O-N 3.41Å
529	A	87.9	Confident	85.2	Confident	7 Å²	7	52.5 Å²	52.5	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-47.5	176.1	0	0	0	0	0	111.7	H440 I493 E525 P526 V527 L533	H440-A529 PolarHBondContact NE2-N 3.19Å; I493-A529 HydrophobicContact CG1-CB 4.31Å; E525-A529 WeakPolarHBondContact O-CB 3.48Å; E525-A529 PolarHBondContact O-N 3.5Å; P526-A529 PolarHBondContact O-N 3.14Å; V527-A529 VanDerWaalsContact C-N 3.33Å; V527-A529 PolarHBondContact O-N 2.99Å; A529-L533 WeakPolarHBondContact O-CB 3.45Å; A529-L533 WeakPolarHBondContact O-CG 3.33Å; A529-L533 PolarHBondContact O-N 3.21Å
530	I	90.8	Very high	85.7	Confident	82 Å²	82	53.8 Å²	53.8	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-48	175.3	-70.7	162	0	0	0	110.4	I493 P526 V527 L534	I493-I530 HydrophobicContact CD1-CG1 3.71Å; I493-I530 HydrophobicContact CG1-CG1 4.11Å; I493-I530 HydrophobicContact CG2-CD1 4Å; I493-I530 HydrophobicContact CG2-CG1 3.9Å; P526-I530 WeakPolarHBondContact O-CB 3.44Å; P526-I530 WeakPolarHBondContact O-CD1 3.45Å; P526-I530 WeakPolarHBondContact O-CG1 3.36Å; P526-I530 PolarHBondContact O-N 3.46Å; V527-I530 PolarHBondContact O-N 3.39Å; I530-L534 WeakPolarHBondContact O-CB 3.21Å; I530-L534 PolarHBondContact O-N 3.5Å
531	A	88.8	Confident	86.3	Confident	40 Å²	40	55.3 Å²	55.3	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-48.7	-178.3	0	0	0	0	0	111.6	V527 Q528 L535	V527-A531 WeakPolarHBondContact O-CB 3.5Å; V527-A531 PolarHBondContact O-N 2.87Å; Q528-A531 PolarHBondContact O-N 2.75Å; A531-L535 WeakPolarHBondContact O-CB 3.34Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.03Å
532	I	86.6	Confident	86.9	Confident	60 Å²	60	58.5 Å²	58.5	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-50.5	-178.9	-68.1	167.9	0	0	0	110.4	H440 Q528 L534 A536	H440-I532 HydrophobicContact CB-CD1 3.41Å; H440-I532 VanDerWaalsContact CB-CD1 3.41Å; H440-I532 HydrophobicContact CB-CG2 4.37Å; Q528-I532 WeakPolarHBondContact O-CB 3.27Å; Q528-I532 VanDerWaalsContact O-CG1 3.32Å; Q528-I532 WeakPolarHBondContact O-CG1 3.31Å; Q528-I532 PolarHBondContact O-N 3.41Å; I532-L534 VanDerWaalsContact C-N 3.34Å; I532-L534 PolarHBondContact O-N 3.04Å; I532-A536 WeakPolarHBondContact O-CB 3.28Å; I532-A536 PolarHBondContact O-N 3.48Å
533	L	85.7	Confident	87.2	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-39.6	-178.3	-68.7	174.1	0	0	0	111.8	F444 I493 A529 R537	F444-L533 HydrophobicContact CB-CD2 4.2Å; F444-L533 HydrophobicContact CD2-CD2 4.14Å; I493-L533 HydrophobicContact CD1-CD1 4.17Å; I493-L533 HydrophobicContact CG1-CD1 4.21Å; A529-L533 WeakPolarHBondContact O-CB 3.45Å; A529-L533 WeakPolarHBondContact O-CG 3.33Å; A529-L533 PolarHBondContact O-N 3.21Å; L533-R537 WeakPolarHBondContact O-CB 3.14Å; L533-R537 PolarHBondContact O-N 3.37Å
534	L	87.4	Confident	87.2	Confident	102 Å²	102	58.6 Å²	58.6	53%	0.534	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-54.9	177.6	-171.5	88.6	0	0	0	111.7	I530 I532 R537 L538	I530-L534 WeakPolarHBondContact O-CB 3.21Å; I530-L534 PolarHBondContact O-N 3.5Å; I532-L534 VanDerWaalsContact C-N 3.34Å; I532-L534 PolarHBondContact O-N 3.04Å; L534-R537 PolarHBondContact O-N 3.1Å; L534-L538 HydrophobicContact CD2-CD1 4.29Å; L534-L538 HydrophobicContact CG-CD1 3.96Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.06Å; L534-L538 PolarHBondContact O-N 3.46Å
535	L	87.2	Confident	87.5	Confident	102 Å²	102	64.1 Å²	64.1	53%	0.534	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-45.2	-174.2	-67.5	172.6	0	0	0	111.5	A531 R537 L538 L539	A531-L535 WeakPolarHBondContact O-CB 3.34Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.03Å; L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 3.22Å; L535-L538 PolarHBondContact O-N 3.43Å; L535-L539 WeakPolarHBondContact O-CB 3.06Å; L535-L539 VanDerWaalsContact O-CG 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 2.82Å
536	A	85.5	Confident	87.8	Confident	25 Å²	25	68.5 Å²	68.5	21%	0.207	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-39.3	178.9	0	0	0	0	0	111.1	F444 I532 L539 I540	F444-A536 HydrophobicContact CD2-CB 3.8Å; F444-A536 HydrophobicContact CE1-CB 4.12Å; F444-A536 HydrophobicContact CE2-CB 3.33Å; F444-A536 HydrophobicContact CG-CB 4.36Å; F444-A536 HydrophobicContact CZ-CB 3.49Å; F444-A536 VanDerWaalsContact CZ-CB 3.49Å; I532-A536 WeakPolarHBondContact O-CB 3.28Å; I532-A536 PolarHBondContact O-N 3.48Å; A536-L539 PolarHBondContact O-N 2.88Å; A536-I540 WeakPolarHBondContact O-CB 3.22Å; A536-I540 VanDerWaalsContact O-CG1 3.31Å; A536-I540 WeakPolarHBondContact O-CG1 3.48Å; A536-I540 PolarHBondContact O-N 3.2Å
537	R	84.6	Confident	87.8	Confident	97 Å²	97	69.6 Å²	69.6	37%	0.366	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-45.8	174.4	-176.3	176.7	-179.6	173.4	1.1	111.5	M448 E485 N489 L533 L534 L535 S541	M448-R537 HydrophobicContact SD-CG 4.49Å; E485-R537 IonicContact OE2-CZ 3.99Å; E485-R537 IonicContact OE2-NH1 3.28Å; E485-R537 IonicContact OE2-NH2 3.75Å; E485-R537 PolarHBondContact OE2-NH2 3Å; N489-R537 PolarHBondContact ND2-NH1 3.16Å; N489-R537 PolarHBondContact OD1-NH1 3.22Å; L533-R537 WeakPolarHBondContact O-CB 3.14Å; L533-R537 PolarHBondContact O-N 3.37Å; L534-R537 PolarHBondContact O-N 3.1Å; L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 3.22Å; R537-S541 WeakPolarHBondContact O-CB 3.29Å; R537-S541 PolarHBondContact O-N 3.4Å
538	L	88.3	Confident	87.7	Confident	87 Å²	87	74.8 Å²	74.8	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-46	178.2	-73.7	169.5	0	0	0	111.7	L534 L535 N542	L534-L538 HydrophobicContact CD2-CD1 4.29Å; L534-L538 HydrophobicContact CG-CD1 3.96Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.06Å; L534-L538 PolarHBondContact O-N 3.46Å; L535-L538 PolarHBondContact O-N 3.43Å; L538-N542 VanDerWaalsContact O-CB 3.25Å; L538-N542 WeakPolarHBondContact O-CB 3.44Å; L538-N542 PolarHBondContact O-N 3.44Å; L538-N542 VanDerWaalsContact O-N 3.09Å; L538-N542 PolarHBondContact O-ND2 3.11Å; L538-N542 VanDerWaalsContact O-ND2 3.11Å
539	L	88.8	Confident	87.9	Confident	127 Å²	127	75.6 Å²	75.6	67%	0.665	42%	0.418	S	S	*	.	H	α-helix	trans	-65	-49.3	179.3	-70.6	172.8	0	0	0	111.7	L535 A536 A543	L535-L539 WeakPolarHBondContact O-CB 3.06Å; L535-L539 VanDerWaalsContact O-CG 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 2.82Å; A536-L539 PolarHBondContact O-N 2.88Å; L539-A543 WeakPolarHBondContact O-CB 2.97Å; L539-A543 PolarHBondContact O-N 3.31Å
540	I	87	Confident	87.9	Confident	83 Å²	83	79.7 Å²	79.7	43%	0.426	44%	0.439	S	S	.	.	H	α-helix	trans	-68.5	-42.8	-178.1	-64.7	-168.6	0	0	0	111.3	F444 M448 A536 A543 A544	F444-I540 HydrophobicContact CE1-CD1 3.57Å; F444-I540 HydrophobicContact CZ-CD1 3.46Å; F444-I540 VanDerWaalsContact CZ-CD1 3.46Å; F444-I540 HydrophobicContact CZ-CG1 4.27Å; M448-I540 HydrophobicContact CE-CB 4.24Å; M448-I540 HydrophobicContact CE-CG2 4.03Å; A536-I540 WeakPolarHBondContact O-CB 3.22Å; A536-I540 VanDerWaalsContact O-CG1 3.31Å; A536-I540 WeakPolarHBondContact O-CG1 3.48Å; A536-I540 PolarHBondContact O-N 3.2Å; I540-A543 PolarHBondContact O-N 2.01Å; I540-A544 VanDerWaalsContact O-CB 3.23Å; I540-A544 WeakPolarHBondContact O-CB 3.19Å; I540-A544 PolarHBondContact O-N 2.76Å
541	S	86.2	Confident	87.9	Confident	48 Å²	48	80.6 Å²	80.6	34%	0.336	44%	0.444	S	S	.	.	H	α-helix	trans	-62.8	-48.9	179.7	-163.1	0	0	0	0	111.1	R537 A543 A544 E545	R537-S541 WeakPolarHBondContact O-CB 3.29Å; R537-S541 PolarHBondContact O-N 3.4Å; S541-A543 VanDerWaalsContact C-N 3.34Å; S541-A543 PolarHBondContact O-N 3.26Å; S541-A544 PolarHBondContact O-N 3.39Å; S541-E545 WeakPolarHBondContact O-CB 3.34Å; S541-E545 WeakPolarHBondContact O-CG 3.38Å; S541-E545 PolarHBondContact O-N 3.44Å
542	N	90.5	Very high	87.9	Confident	95 Å²	95	83.3 Å²	83.3	51%	0.508	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-39.6	178.6	-69	-21	0	0	0	111.8	L538 L546	L538-N542 VanDerWaalsContact O-CB 3.25Å; L538-N542 WeakPolarHBondContact O-CB 3.44Å; L538-N542 PolarHBondContact O-N 3.44Å; L538-N542 VanDerWaalsContact O-N 3.09Å; L538-N542 PolarHBondContact O-ND2 3.11Å; L538-N542 VanDerWaalsContact O-ND2 3.11Å; N542-L546 WeakPolarHBondContact O-CB 3.09Å; N542-L546 PolarHBondContact O-N 2.64Å
543	A	90.1	Very high	87.9	Confident	64 Å²	64	86.1 Å²	86.1	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-65.3	-39.9	175.6	0	0	0	0	0	112	L539 I540 S541 G547	L539-A543 WeakPolarHBondContact O-CB 2.97Å; L539-A543 PolarHBondContact O-N 3.31Å; I540-A543 PolarHBondContact O-N 2.01Å; S541-A543 VanDerWaalsContact C-N 3.34Å; S541-A543 PolarHBondContact O-N 3.26Å; A543-G547 WeakPolarHBondContact O-CA 3.43Å; A543-G547 PolarHBondContact O-N 3.05Å
544	A	88.3	Confident	88	Confident	54 Å²	54	90.4 Å²	90.4	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-44.1	176.8	0	0	0	0	0	111.8	I540 S541 L546 G547 Y548	I540-A544 VanDerWaalsContact O-CB 3.23Å; I540-A544 WeakPolarHBondContact O-CB 3.19Å; I540-A544 PolarHBondContact O-N 2.76Å; S541-A544 PolarHBondContact O-N 3.39Å; A544-L546 PolarHBondContact O-N 2.77Å; A544-G547 PolarHBondContact O-N 3.47Å; A544-Y548 WeakPolarHBondContact O-CB 3.49Å; A544-Y548 PolarHBondContact O-N 3.48Å
545	E	88.9	Confident	88.1	Confident	133 Å²	133	92.1 Å²	92.1	62%	0.621	49%	0.494	S	S	*	.	H	α-helix	trans	-62	-39.9	177.8	-78.3	179.9	-157.7	0	0	112.6	S541 P549	S541-E545 WeakPolarHBondContact O-CB 3.34Å; S541-E545 WeakPolarHBondContact O-CG 3.38Å; S541-E545 PolarHBondContact O-N 3.44Å; E545-P549 WeakPolarHBondContact O-CD 3.07Å; E545-P549 VanDerWaalsContact O-CG 3.29Å; E545-P549 WeakPolarHBondContact O-CG 2.95Å
546	L	88.2	Confident	87.9	Confident	114 Å²	114	94 Å²	94	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-78.5	-43.7	176.3	-175.3	64	0	0	0	112	N542 A544 L550	N542-L546 WeakPolarHBondContact O-CB 3.09Å; N542-L546 PolarHBondContact O-N 2.64Å; A544-L546 PolarHBondContact O-N 2.77Å; L546-L550 HydrophobicContact CD1-CD1 4.37Å; L546-L550 HydrophobicContact CG-CD1 4.24Å; L546-L550 WeakPolarHBondContact O-CD1 3.46Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å
547	G	86.9	Confident	87	Confident	32 Å²	32	96.3 Å²	96.3	33%	0.33	52%	0.524	S	S	.	.	H	α-helix	trans	-74.4	-40.1	-171.9	0	0	0	0	0	113.7	A543 A544 L550 L551	A543-G547 WeakPolarHBondContact O-CA 3.43Å; A543-G547 PolarHBondContact O-N 3.05Å; A544-G547 PolarHBondContact O-N 3.47Å; G547-L550 PolarHBondContact O-N 3.38Å; G547-L551 WeakPolarHBondContact O-CB 2.9Å; G547-L551 PolarHBondContact O-N 3.24Å
548	Y	88	Confident	85.5	Confident	152 Å²	152	101.9 Å²	101.9	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-63.9	-46.6	-175.2	176.1	-104.2	0	0	0	113.5	A544 L550 L551 K552	A544-Y548 WeakPolarHBondContact O-CB 3.49Å; A544-Y548 PolarHBondContact O-N 3.48Å; Y548-L550 VanDerWaalsContact C-N 3.33Å; Y548-L550 PolarHBondContact O-N 3.17Å; Y548-L551 PolarHBondContact O-N 2.98Å; Y548-K552 WeakPolarHBondContact O-CB 3.34Å; Y548-K552 PolarHBondContact O-N 2Å
549	P	89.7	Confident	85.3	Confident	64 Å²	64	102.6 Å²	102.6	42%	0.416	56%	0.556	S	S	.	*	H	α-helix	trans	-63.5	-36.4	174.7	-22.4	34.5	0	0	0	113.1	E545 K552 K553	E545-P549 WeakPolarHBondContact O-CD 3.07Å; E545-P549 VanDerWaalsContact O-CG 3.29Å; E545-P549 WeakPolarHBondContact O-CG 2.95Å; P549-K552 PolarHBondContact O-N 3.25Å; P549-K553 WeakPolarHBondContact O-CG 3.13Å; P549-K553 PolarHBondContact O-N 3.26Å
550	L	88.4	Confident	85.1	Confident	93 Å²	93	101.3 Å²	101.3	49%	0.487	55%	0.55	S	S	.	.	H	α-helix	trans	-67.4	-47.3	177.5	-70.8	174.3	0	0	0	111.3	L546 G547 Y548 K552 K553 V554	L546-L550 HydrophobicContact CD1-CD1 4.37Å; L546-L550 HydrophobicContact CG-CD1 4.24Å; L546-L550 WeakPolarHBondContact O-CD1 3.46Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; G547-L550 PolarHBondContact O-N 3.38Å; Y548-L550 VanDerWaalsContact C-N 3.33Å; Y548-L550 PolarHBondContact O-N 3.17Å; L550-K552 VanDerWaalsContact C-N 3.27Å; L550-K552 PolarHBondContact O-N 3.22Å; L550-K553 WeakPolarHBondContact O-CB 2.94Å; L550-K553 PolarHBondContact O-N 3.38Å; L550-K553 VanDerWaalsContact O-N 3.1Å; L550-V554 WeakPolarHBondContact O-CG2 3.39Å; L550-V554 PolarHBondContact O-N 3.18Å
551	L	90.3	Very high	85	Confident	101 Å²	101	102.3 Å²	102.3	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-57.1	-43.5	174.8	-178.4	66	0	0	0	111	G547 Y548 K553 V554 L555	G547-L551 WeakPolarHBondContact O-CB 2.9Å; G547-L551 PolarHBondContact O-N 3.24Å; Y548-L551 PolarHBondContact O-N 2.98Å; L551-K553 VanDerWaalsContact C-N 3.33Å; L551-K553 PolarHBondContact O-N 3.16Å; L551-V554 PolarHBondContact O-N 3.02Å; L551-L555 HydrophobicContact CD1-CD1 4.29Å; L551-L555 HydrophobicContact CD1-CG 4.36Å; L551-L555 HydrophobicContact CG-CD1 3.95Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.42Å; L551-L555 PolarHBondContact O-N 3.36Å
552	K	88.5	Confident	85	Confident	97 Å²	97	105.5 Å²	105.5	42%	0.422	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-30.9	177.8	-170.2	173.2	-175.5	172.7	0	113.3	Y548 P549 L550 K556	Y548-K552 WeakPolarHBondContact O-CB 3.34Å; Y548-K552 PolarHBondContact O-N 2Å; P549-K552 PolarHBondContact O-N 3.25Å; L550-K552 VanDerWaalsContact C-N 3.27Å; L550-K552 PolarHBondContact O-N 3.22Å; K552-K556 HydrophobicContact CG-CD 4.42Å; K552-K556 WeakPolarHBondContact O-CB 2.97Å; K552-K556 VanDerWaalsContact O-CG 3.23Å; K552-K556 WeakPolarHBondContact O-CG 3.24Å; K552-K556 PolarHBondContact O-N 3.32Å
553	K	87.4	Confident	84.6	Confident	119 Å²	119	106.2 Å²	106.2	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-52.7	172.1	-78.6	179.6	179.6	-176.5	0	110.5	P549 L550 L551 L555 K556 G557 K558	P549-K553 WeakPolarHBondContact O-CG 3.13Å; P549-K553 PolarHBondContact O-N 3.26Å; L550-K553 WeakPolarHBondContact O-CB 2.94Å; L550-K553 PolarHBondContact O-N 3.38Å; L550-K553 VanDerWaalsContact O-N 3.1Å; L551-K553 VanDerWaalsContact C-N 3.33Å; L551-K553 PolarHBondContact O-N 3.16Å; K553-L555 PolarHBondContact O-N 3.07Å; K553-K556 CarbonylContact O-C 3.6Å; K553-K556 WeakPolarHBondContact O-CA 3.03Å; K553-K556 PolarHBondContact O-N 3.02Å; K553-G557 PolarHBondContact O-N 2.88Å; K553-K558 WeakPolarHBondContact CB-OXT 3.22Å; K553-K558 PolarHBondContact O-N 3.49Å
554	V	88.3	Confident	84.2	Confident	110 Å²	110	109 Å²	109	67%	0.667	58%	0.577	S	S	*	*	H	α-helix	trans	-55.6	-47.9	178	174.7	0	0	0	0	111.6	L550 L551 K556 G557	L550-V554 WeakPolarHBondContact O-CG2 3.39Å; L550-V554 PolarHBondContact O-N 3.18Å; L551-V554 PolarHBondContact O-N 3.02Å; V554-K556 PolarHBondContact O-N 3.09Å; V554-G557 PolarHBondContact O-N 2.98Å
555	L	89.1	Confident	84	Confident	137 Å²	137	112.9 Å²	112.9	72%	0.717	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-26.1	177.5	-73.3	172.1	0	0	0	113.6	L551 K553 G557	L551-L555 HydrophobicContact CD1-CD1 4.29Å; L551-L555 HydrophobicContact CD1-CG 4.36Å; L551-L555 HydrophobicContact CG-CD1 3.95Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.42Å; L551-L555 PolarHBondContact O-N 3.36Å; K553-L555 PolarHBondContact O-N 3.07Å; L555-G557 VanDerWaalsContact C-N 3.31Å
556	K	83.3	Confident	83.6	Confident	142 Å²	142	111.4 Å²	111.4	62%	0.617	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	3.4	176.8	-74.7	-178.1	176.6	-165.1	0	113.2	K552 K553 V554 K558	K552-K556 HydrophobicContact CG-CD 4.42Å; K552-K556 WeakPolarHBondContact O-CB 2.97Å; K552-K556 VanDerWaalsContact O-CG 3.23Å; K552-K556 WeakPolarHBondContact O-CG 3.24Å; K552-K556 PolarHBondContact O-N 3.32Å; K553-K556 CarbonylContact O-C 3.6Å; K553-K556 WeakPolarHBondContact O-CA 3.03Å; K553-K556 PolarHBondContact O-N 3.02Å; V554-K556 PolarHBondContact O-N 3.09Å; K556-K558 PolarHBondContact O-N 3.44Å
557	G	67	Low	83.2	Confident	74 Å²	74	111.2 Å²	111.2	76%	0.763	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.2	27.3	-178.1	0	0	0	0	0	113.5	K553 V554 L555	K553-G557 PolarHBondContact O-N 2.88Å; V554-G557 PolarHBondContact O-N 2.98Å; L555-G557 VanDerWaalsContact C-N 3.31Å
558	K	51.3	Low	82.9	Confident	213 Å²	213	118.4 Å²	118.4	93%	0.926	61%	0.605	S	S	*	*			trans	-118.4	0	173.9	-69.2	-169.9	177.6	-167.9	0	109.8	K553 K556	K553-K558 WeakPolarHBondContact CB-OXT 3.22Å; K553-K558 PolarHBondContact O-N 3.49Å; K556-K558 PolarHBondContact O-N 3.44Å

Retrieved 558 of 558 residues in 1058.5 ms (Link to these results)

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