A0A077YVN8_TRITR Loading...

Putative ypt

AlphaFold DB , UniProt , Accession A0A077YVN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 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	25.3	Very low	27	Very low	234 Å²	234	144.8 Å²	144.8	100%	1.153	72%	0.723	S	S	*	*				0	95.6	0	-67	175.9	-175.4	0	0	106
2	Y	22.8	Very low	26.9	Very low	230 Å²	230	147.3 Å²	147.3	90%	0.902	73%	0.73	S	S	*	*				-157.2	134.7	82.8	-92.7	-94.9	0	0	0	110.1
3	K	23.3	Very low	27.1	Very low	214 Å²	214	147.9 Å²	147.9	93%	0.93	74%	0.736	S	S	*	*			trans	-81.7	148.9	178.2	-87.3	176.8	171.3	176.8	0	112.2
4	G	24.4	Very low	27	Very low	71 Å²	71	150 Å²	150	73%	0.732	74%	0.743	S	S	*	*			trans	4.9	131.2	160.6	0	0	0	0	0	121.8
5	Y	25.6	Very low	27	Very low	173 Å²	173	151.4 Å²	151.4	68%	0.678	75%	0.753	S	S	*	*			trans	-113.3	109.4	152.2	-132.1	-97.5	0	0	0	107.5	R7	Y5-R7 HydrophobicContact CD1-CG 4.37Å; Y5-R7 HydrophobicContact CE1-CG 4.12Å
6	E	26	Very low	27	Very low	139 Å²	139	155.1 Å²	155.1	65%	0.65	76%	0.763	S	S	*	*			trans	-112.9	95.6	170.8	-155.3	-169.4	-179.3	0	0	104.7	K8 K30	E6-K8 PolarHBondContact O-N 3.21Å; E6-K8 VanDerWaalsContact O-N 3.08Å; E6-K30 IonicContact OE1-NZ 2.89Å; E6-K30 PolarHBondContact OE1-NZ 2.9Å
7	R	32.5	Very low	27.1	Very low	110 Å²	110	153.5 Å²	153.5	42%	0.415	76%	0.758	S	S	.	*			trans	-76.6	100.5	176.6	-118.7	-171.2	-171	159.1	14.4	108.3	Y5 L9 E385 D389	Y5-R7 HydrophobicContact CD1-CG 4.37Å; Y5-R7 HydrophobicContact CE1-CG 4.12Å; R7-L9 PolarHBondContact O-N 3.16Å; R7-E385 VanDerWaalsContact CD-OE2 3.23Å; R7-E385 WeakPolarHBondContact CD-OE2 3.47Å; R7-E385 IonicContact CZ-OE2 3.82Å; R7-E385 IonicContact NE-OE2 2.92Å; R7-E385 PolarHBondContact NE-OE2 3.12Å; R7-E385 IonicContact NH1-OE2 3.64Å; R7-E385 PolarHBondContact NH1-OE2 3.25Å; R7-D389 IonicContact CZ-OD1 2.78Å; R7-D389 IonicContact NH1-OD1 3.08Å; R7-D389 PolarHBondContact NH1-OD1 3.26Å; R7-D389 IonicContact NH2-OD1 3.9Å
8	K	28.9	Very low	27.4	Very low	166 Å²	166	155.7 Å²	155.7	72%	0.722	77%	0.766	S	S	*	*			trans	-61.1	115.5	164.8	-80.4	176	178.9	169.1	0	108.3	E6 S10	E6-K8 PolarHBondContact O-N 3.21Å; E6-K8 VanDerWaalsContact O-N 3.08Å; K8-S10 PolarHBondContact O-N 3.33Å
9	L	29.9	Very low	27.7	Very low	108 Å²	108	153.1 Å²	153.1	57%	0.565	76%	0.761	S	S	*	*			trans	-69.1	81.5	157.4	-79.1	162.6	0	0	0	107.9	R7 E385	R7-L9 PolarHBondContact O-N 3.16Å; L9-E385 HydrophobicContact CD2-CG 4.36Å
10	S	27.7	Very low	27.6	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	77%	0.767	S	S	*	*			trans	-117.8	82.7	166.4	57.2	0	0	0	0	108.1	K8	K8-S10 PolarHBondContact O-N 3.33Å
11	G	31	Very low	27.6	Very low	51 Å²	51	148.7 Å²	148.7	53%	0.526	76%	0.764	S	S	.	*			trans	-117.7	105.8	175.2	0	0	0	0	0	110
12	H	25.9	Very low	27.6	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.806	75%	0.752	S	S	*	*			trans	-74.8	121.6	164.8	-65.1	-25.2	0	0	0	108
13	L	29.2	Very low	27.8	Very low	156 Å²	156	139.9 Å²	139.9	82%	0.817	74%	0.741	S	S	*	*			trans	-126.6	110.9	165.8	-123.6	124.6	0	0	0	108.4	L15	L13-L15 PolarHBondContact O-N 3.27Å
14	Q	26.3	Very low	28	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	74%	0.737	S	S	*	*			trans	-69.3	115.5	-179.9	-70.9	172.4	-17.7	0	0	109.7
15	L	27.1	Very low	28.2	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	74%	0.736	S	S	*	*			trans	-87	111.9	163	-85.2	160.9	0	0	0	108.3	L13 N17	L13-L15 PolarHBondContact O-N 3.27Å; L15-N17 PolarHBondContact O-N 3.45Å
16	K	26.2	Very low	28.5	Very low	211 Å²	211	140.8 Å²	140.8	92%	0.917	74%	0.741	S	S	*	*			trans	-72.9	91.5	170.1	-164	178.6	-173.6	179.5	0	108.4
17	N	29.6	Very low	28.5	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	74%	0.744	S	S	*	*			trans	-82.7	141.8	164.6	-164.7	-0.3	0	0	0	109.1	L15 T19	L15-N17 PolarHBondContact O-N 3.45Å; N17-T19 PolarHBondContact O-N 3.03Å
18	Q	32.5	Very low	28.4	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	77%	0.767	S	S	*	*	S	Bend	trans	-71.7	15.8	-173.9	-73.9	-175.3	-21.5	0	0	114.7
19	T	32	Very low	28.7	Very low	107 Å²	107	147.7 Å²	147.7	66%	0.656	77%	0.771	S	S	*	*	S	Bend	trans	-140.8	128.2	177.4	42.5	0	0	0	0	110.1	N17 A21	N17-T19 PolarHBondContact O-N 3.03Å; T19-A21 PolarHBondContact O-N 3.39Å
20	S	25.2	Very low	29.1	Very low	127 Å²	127	149.4 Å²	149.4	89%	0.888	77%	0.774	S	S	*	*			trans	-63.7	107.3	-169.4	40.9	0	0	0	0	114.6
21	A	27.8	Very low	29.6	Very low	86 Å²	86	148.1 Å²	148.1	71%	0.711	75%	0.754	S	S	*	*			trans	-177.4	122	143.2	0	0	0	0	0	110.2	T19 T23	T19-A21 PolarHBondContact O-N 3.39Å; A21-T23 PolarHBondContact O-N 2.87Å
22	L	25.9	Very low	30.1	Very low	171 Å²	171	147.6 Å²	147.6	90%	0.895	74%	0.738	S	S	*	*			trans	-77.7	107	171.6	-82.7	154.7	0	0	0	109.1
23	T	27.1	Very low	30.9	Very low	109 Å²	109	141.4 Å²	141.4	67%	0.669	71%	0.708	S	S	*	*			trans	-116.4	108.1	171	-48.5	0	0	0	0	110.3	A21 L25	A21-T23 PolarHBondContact O-N 2.87Å; T23-L25 HydrophobicContact CG2-CG 4.37Å; T23-L25 PolarHBondContact O-N 3.2Å
24	L	27.8	Very low	31.5	Very low	161 Å²	161	134.6 Å²	134.6	84%	0.843	67%	0.673	S	S	*	*			trans	-65.3	111.2	166.8	-95.5	144.9	0	0	0	109.4
25	L	28.2	Very low	32.2	Very low	135 Å²	135	127.3 Å²	127.3	71%	0.707	64%	0.64	S	S	*	*			trans	-104.3	93.6	172.7	-75	165.1	0	0	0	110	T23	T23-L25 HydrophobicContact CG2-CG 4.37Å; T23-L25 PolarHBondContact O-N 3.2Å
26	F	31.1	Very low	33.1	Very low	180 Å²	180	121.3 Å²	121.3	79%	0.789	61%	0.609	S	S	*	*			trans	70.9	127.1	158.3	-57.8	-78	0	0	0	120.9
27	P	27.1	Very low	33.4	Very low	109 Å²	109	114.4 Å²	114.4	71%	0.708	58%	0.582	S	S	*	*			trans	-92.4	145.1	174.5	36.9	-31.1	0	0	0	112.6
28	R	30.1	Very low	33.7	Very low	241 Å²	241	114.6 Å²	114.6	91%	0.909	59%	0.592	S	S	*	*			trans	74.1	84.5	151.5	-58.8	165.5	-176.2	-172.5	2.7	119.3
29	R	35.8	Very low	34.1	Very low	210 Å²	210	107.5 Å²	107.5	79%	0.792	56%	0.564	S	S	*	*			trans	-117.9	133.1	148.4	-77.6	-172.5	176.3	-176.1	-0.6	110.2	Y31	R29-Y31 HydrophobicContact CB-CE2 3.97Å
30	K	38	Very low	34.4	Very low	145 Å²	145	102.7 Å²	102.7	63%	0.63	54%	0.535	S	S	*	.			trans	-97	139.8	177.8	-64.5	-172.3	178.1	-167.2	0	108.8	E6	E6-K30 IonicContact OE1-NZ 2.89Å; E6-K30 PolarHBondContact OE1-NZ 2.9Å
31	Y	38.3	Very low	35.2	Very low	69 Å²	69	98.6 Å²	98.6	27%	0.271	50%	0.503	S	S	.	.			trans	-129.6	145.1	174.9	-64.3	-89.7	0	0	0	109.8	R29 E371 T378	R29-Y31 HydrophobicContact CB-CE2 3.97Å; Y31-E371 HydrophobicContact CD1-CG 4.47Å; Y31-E371 HydrophobicContact CE1-CG 4.3Å; Y31-T378 HydrophobicContact CD2-CG2 3.73Å; Y31-T378 HydrophobicContact CE2-CG2 4.12Å; Y31-T378 HydrophobicContact CG-CG2 4.25Å
32	F	41.3	Very low	36	Very low	40 Å²	40	94.9 Å²	94.9	18%	0.175	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.6	174.6	-60.8	-96.7	0	0	0	108.9	F44 Y45 N47 K48 Y51 D505	F32-F44 CarbonylContact O-C 3.58Å; F32-F44 WeakPolarHBondContact O-CA 3.18Å; F32-Y45 PolarHBondContact N-O 3.28Å; F32-Y45 VanDerWaalsContact N-O 3.12Å; F32-Y45 PolarHBondContact O-N 3.07Å; F32-N47 VanDerWaalsContact CD2-C 3.43Å; F32-K48 HydrophobicContact CE1-CB 3.87Å; F32-K48 HydrophobicContact CE1-CD 4.28Å; F32-K48 HydrophobicContact CE1-CG 3.89Å; F32-K48 HydrophobicContact CE2-CB 3.95Å; F32-K48 VanDerWaalsContact CE2-N 3.25Å; F32-K48 HydrophobicContact CZ-CB 3.51Å; F32-K48 HydrophobicContact CZ-CD 4.4Å; F32-K48 HydrophobicContact CZ-CG 4.04Å; F32-Y51 HydrophobicContact CB-CD2 3.9Å; F32-Y51 HydrophobicContact CB-CG 4.18Å; F32-D505 WeakPolarHBondContact CD1-OD1 3.46Å; F32-D505 WeakPolarHBondContact CE1-OD1 3.34Å
33	F	42.5	Very low	37	Very low	44 Å²	44	90.9 Å²	90.9	19%	0.193	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.4	178.6	60.1	-88.5	0	0	0	113.6	L42 K43 F44 A382 V386 Y502	F33-L42 HydrophobicContact CD2-CD1 3.83Å; F33-L42 HydrophobicContact CD2-CD2 4.38Å; F33-L42 HydrophobicContact CD2-CG 4.19Å; F33-L42 HydrophobicContact CE2-CD1 4.42Å; F33-K43 CarbonylContact C-O 3.59Å; F33-K43 WeakPolarHBondContact CA-O 3.35Å; F33-K43 WeakPolarHBondContact CB-O 3.46Å; F33-F44 HydrophobicContact CB-CD1 4.36Å; F33-F44 HydrophobicContact CB-CD2 3.84Å; F33-F44 HydrophobicContact CB-CE1 4.37Å; F33-F44 HydrophobicContact CB-CE2 3.82Å; F33-F44 HydrophobicContact CB-CG 4.12Å; F33-F44 HydrophobicContact CB-CZ 4.13Å; F33-F44 HydrophobicContact CG-CE2 4.44Å; F33-F44 HydrophobicContact CG-CZ 4.4Å; F33-A382 HydrophobicContact CD1-CB 4.49Å; F33-A382 HydrophobicContact CE1-CB 3.92Å; F33-A382 HydrophobicContact CZ-CB 3.96Å; F33-V386 HydrophobicContact CE2-CG2 4.01Å; F33-V386 HydrophobicContact CZ-CG2 4.45Å; F33-Y502 AromaticContact CD2-CE1 3.95Å; F33-Y502 HydrophobicContact CD2-CE1 3.95Å; F33-Y502 WeakPolarHBondContact CD2-OH 3.28Å; F33-Y502 HydrophobicContact CE2-CE1 4.07Å; F33-Y502 WeakPolarHBondContact CE2-OH 3.1Å; F33-Y502 WeakPolarHBondContact O-CD1 3.45Å; F33-Y502 WeakPolarHBondContact O-CE1 3.3Å
34	T	41.4	Very low	37.9	Very low	13 Å²	13	87.1 Å²	87.1	8%	0.08	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.9	172.4	75.3	0	0	0	0	111.2	L42 K43 Y45 Y51 Y502	T34-L42 CarbonylContact O-C 3.55Å; T34-L42 WeakPolarHBondContact O-CA 3.48Å; T34-K43 PolarHBondContact N-O 3.04Å; T34-K43 PolarHBondContact O-N 2.9Å; T34-Y45 HydrophobicContact CG2-CE2 3.69Å; T34-Y51 HydrophobicContact CG2-CD2 4.03Å; T34-Y51 HydrophobicContact CG2-CE2 3.33Å; T34-Y502 HydrophobicContact CG2-CD1 4.22Å; T34-Y502 HydrophobicContact CG2-CG 3.99Å
35	L	41.4	Very low	38.9	Very low	25 Å²	25	80.9 Å²	80.9	13%	0.131	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.7	166.9	-170.6	75.7	0	0	0	107.7	G40 L41 L42 Y502	L35-G40 VanDerWaalsContact CD1-O 3.27Å; L35-G40 WeakPolarHBondContact CD1-O 3.37Å; L35-L41 CarbonylContact C-O 3.57Å; L35-L41 WeakPolarHBondContact CA-O 3.22Å; L35-L42 HydrophobicContact CB-CD1 4.28Å; L35-L42 HydrophobicContact CD1-CD1 4.03Å; L35-Y502 HydrophobicContact CB-CD2 4.17Å; L35-Y502 HydrophobicContact CB-CE2 3.56Å
36	D	45.9	Very low	39.6	Very low	44 Å²	44	83.4 Å²	83.4	24%	0.235	39%	0.386	C	S	.	.			trans	-82.4	118.4	178.4	177	10.2	0	0	0	110.5	C38 S39 G40 L41 K43	D36-C38 VanDerWaalsContact C-N 3.35Å; D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 PolarHBondContact OD1-N 3.34Å; D36-S39 VanDerWaalsContact CB-OG 3.23Å; D36-S39 WeakPolarHBondContact CB-OG 3.41Å; D36-S39 PolarHBondContact O-N 2.64Å; D36-S39 PolarHBondContact OD2-OG 3.46Å; D36-G40 VanDerWaalsContact O-CA 3.24Å; D36-G40 WeakPolarHBondContact O-CA 3.36Å; D36-G40 PolarHBondContact O-N 3.12Å; D36-L41 PolarHBondContact N-O 3.27Å; D36-K43 HydrophobicContact CB-CD 4.4Å; D36-K43 WeakPolarHBondContact OD2-CE 3.47Å; D36-K43 IonicContact OD2-NZ 3.65Å; D36-K43 PolarHBondContact OD2-NZ 2.91Å
37	D	33.4	Very low	40.4	Very low	67 Å²	67	77.7 Å²	77.7	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.1	-170.2	-70.7	-37	0	0	0	113.8	H501	D37-H501 IonicContact OD2-CE1 3.66Å; D37-H501 PolarHBondContact OD2-CE1 3.38Å; D37-H501 VanDerWaalsContact OD2-CE1 3.26Å; D37-H501 IonicContact OD2-ND1 2.95Å; D37-H501 PolarHBondContact OD2-ND1 2.94Å
38	C	34.7	Very low	41.3	Very low	131 Å²	131	77.5 Å²	77.5	89%	0.885	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-36	-179.6	-72.4	0	0	0	0	111.9	D36	D36-C38 VanDerWaalsContact C-N 3.35Å; D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 PolarHBondContact OD1-N 3.34Å
39	S	40.5	Very low	42.6	Very low	44 Å²	44	72 Å²	72	31%	0.308	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-18.3	-171	67.3	0	0	0	0	113.4	D36 L41	D36-S39 VanDerWaalsContact CB-OG 3.23Å; D36-S39 WeakPolarHBondContact CB-OG 3.41Å; D36-S39 PolarHBondContact O-N 2.64Å; D36-S39 PolarHBondContact OD2-OG 3.46Å; S39-L41 PolarHBondContact O-N 2.91Å; S39-L41 WeakPolarHBondContact OG-CB 3.47Å; S39-L41 VanDerWaalsContact OG-CG 3.24Å; S39-L41 WeakPolarHBondContact OG-CG 3.4Å; S39-L41 PolarHBondContact OG-N 2.65Å
40	G	39.1	Very low	43.5	Very low	5 Å²	5	65.1 Å²	65.1	5%	0.052	32%	0.32	C	S	.	.			trans	71.1	11.5	-173.1	0	0	0	0	0	114	L35 D36 P442	L35-G40 VanDerWaalsContact CD1-O 3.27Å; L35-G40 WeakPolarHBondContact CD1-O 3.37Å; D36-G40 VanDerWaalsContact O-CA 3.24Å; D36-G40 WeakPolarHBondContact O-CA 3.36Å; D36-G40 PolarHBondContact O-N 3.12Å; G40-P442 WeakPolarHBondContact O-CB 3.45Å; G40-P442 VanDerWaalsContact O-CD 3.24Å; G40-P442 WeakPolarHBondContact O-CD 3.2Å; G40-P442 VanDerWaalsContact O-CG 3.23Å; G40-P442 WeakPolarHBondContact O-CG 3.24Å
41	L	41.3	Very low	44	Very low	42 Å²	42	58.4 Å²	58.4	22%	0.22	29%	0.29	C	S	.	.			trans	-89.5	140.4	-170.8	-56.2	-177.5	0	0	0	112.2	L35 D36 S39 C366 Y367 P442	L35-L41 CarbonylContact C-O 3.57Å; L35-L41 WeakPolarHBondContact CA-O 3.22Å; D36-L41 PolarHBondContact N-O 3.27Å; S39-L41 PolarHBondContact O-N 2.91Å; S39-L41 WeakPolarHBondContact OG-CB 3.47Å; S39-L41 VanDerWaalsContact OG-CG 3.24Å; S39-L41 WeakPolarHBondContact OG-CG 3.4Å; S39-L41 PolarHBondContact OG-N 2.65Å; L41-C366 WeakPolarHBondContact CD1-O 3.5Å; L41-C366 WeakPolarHBondContact CD2-O 3.49Å; L41-C366 WeakPolarHBondContact CG-O 3.47Å; L41-Y367 VanDerWaalsContact CD2-CA 3.46Å; L41-Y367 WeakPolarHBondContact CD2-O 3.48Å; L41-P442 HydrophobicContact CD2-CG 4.44Å
42	L	45.9	Very low	44.7	Very low	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.9	173.2	-155.2	73.3	0	0	0	108.2	F33 T34 L35 F44 P369	F33-L42 HydrophobicContact CD2-CD1 3.83Å; F33-L42 HydrophobicContact CD2-CD2 4.38Å; F33-L42 HydrophobicContact CD2-CG 4.19Å; F33-L42 HydrophobicContact CE2-CD1 4.42Å; T34-L42 CarbonylContact O-C 3.55Å; T34-L42 WeakPolarHBondContact O-CA 3.48Å; L35-L42 HydrophobicContact CB-CD1 4.28Å; L35-L42 HydrophobicContact CD1-CD1 4.03Å; L42-F44 HydrophobicContact CB-CE2 4.28Å; L42-F44 HydrophobicContact CD2-CE2 3.44Å; L42-F44 VanDerWaalsContact CD2-CE2 3.44Å; L42-F44 HydrophobicContact CD2-CZ 3.88Å; L42-F44 HydrophobicContact CG-CD2 4.44Å; L42-F44 HydrophobicContact CG-CE2 3.68Å; L42-P369 HydrophobicContact CB-CG 3.95Å; L42-P369 HydrophobicContact CD2-CG 4.43Å; L42-P369 HydrophobicContact CG-CG 4.43Å; L42-P369 VanDerWaalsContact O-CB 3.31Å; L42-P369 WeakPolarHBondContact O-CB 3.35Å; L42-P369 WeakPolarHBondContact O-CD 3.41Å; L42-P369 WeakPolarHBondContact O-CG 3.38Å
43	K	45.8	Very low	45.4	Very low	87 Å²	87	60.1 Å²	60.1	38%	0.378	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.5	178.1	-66	178.3	-179.3	165.6	0	109.6	F33 T34 D36 Y45	F33-K43 CarbonylContact C-O 3.59Å; F33-K43 WeakPolarHBondContact CA-O 3.35Å; F33-K43 WeakPolarHBondContact CB-O 3.46Å; T34-K43 PolarHBondContact N-O 3.04Å; T34-K43 PolarHBondContact O-N 2.9Å; D36-K43 HydrophobicContact CB-CD 4.4Å; D36-K43 WeakPolarHBondContact OD2-CE 3.47Å; D36-K43 IonicContact OD2-NZ 3.65Å; D36-K43 PolarHBondContact OD2-NZ 2.91Å; K43-Y45 HydrophobicContact CB-CE2 4.04Å
44	F	46.8	Very low	45.7	Very low	31 Å²	31	63 Å²	63	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	146	-178.4	-81	-122.3	0	0	0	110.7	F32 F33 L42 P369 E371	F32-F44 CarbonylContact O-C 3.58Å; F32-F44 WeakPolarHBondContact O-CA 3.18Å; F33-F44 HydrophobicContact CB-CD1 4.36Å; F33-F44 HydrophobicContact CB-CD2 3.84Å; F33-F44 HydrophobicContact CB-CE1 4.37Å; F33-F44 HydrophobicContact CB-CE2 3.82Å; F33-F44 HydrophobicContact CB-CG 4.12Å; F33-F44 HydrophobicContact CB-CZ 4.13Å; F33-F44 HydrophobicContact CG-CE2 4.44Å; F33-F44 HydrophobicContact CG-CZ 4.4Å; L42-F44 HydrophobicContact CB-CE2 4.28Å; L42-F44 HydrophobicContact CD2-CE2 3.44Å; L42-F44 VanDerWaalsContact CD2-CE2 3.44Å; L42-F44 HydrophobicContact CD2-CZ 3.88Å; L42-F44 HydrophobicContact CG-CD2 4.44Å; L42-F44 HydrophobicContact CG-CE2 3.68Å; F44-P369 HydrophobicContact CB-CB 4.36Å; F44-P369 HydrophobicContact CD2-CB 3.32Å; F44-P369 HydrophobicContact CD2-CG 2.99Å; F44-P369 HydrophobicContact CE2-CB 3.82Å; F44-P369 HydrophobicContact CE2-CG 2.94Å; F44-P369 HydrophobicContact CG-CB 4.03Å; F44-P369 HydrophobicContact CG-CG 4.05Å; F44-P369 HydrophobicContact CZ-CG 3.94Å; F44-E371 VanDerWaalsContact CB-OE2 3.31Å; F44-E371 WeakPolarHBondContact CB-OE2 3.46Å; F44-E371 HydrophobicContact CD1-CB 3.77Å; F44-E371 HydrophobicContact CD1-CG 3.93Å; F44-E371 HydrophobicContact CE1-CB 3.86Å; F44-E371 HydrophobicContact CE1-CG 4.5Å; F44-E371 HydrophobicContact CG-CB 4.37Å; F44-E371 HydrophobicContact CG-CG 4.44Å; F44-E371 WeakPolarHBondContact CG-OE2 3.48Å
45	Y	48.3	Very low	46	Very low	29 Å²	29	65.9 Å²	65.9	11%	0.114	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.6	-179.9	-53.5	-92.1	0	0	0	109.3	F32 T34 K43 N47 D50 Y51 N54	F32-Y45 PolarHBondContact N-O 3.28Å; F32-Y45 VanDerWaalsContact N-O 3.12Å; F32-Y45 PolarHBondContact O-N 3.07Å; T34-Y45 HydrophobicContact CG2-CE2 3.69Å; K43-Y45 HydrophobicContact CB-CE2 4.04Å; Y45-N47 VanDerWaalsContact C-N 3.31Å; Y45-N47 PolarHBondContact O-N 2.61Å; Y45-D50 HydrophobicContact CD1-CB 4.35Å; Y45-D50 WeakPolarHBondContact CD1-O 3.24Å; Y45-Y51 AromaticContact CD2-CD2 3.62Å; Y45-Y51 HydrophobicContact CD2-CD2 3.62Å; Y45-Y51 HydrophobicContact CD2-CG 4.34Å; Y45-Y51 AromaticContact CE2-CD2 3.98Å; Y45-Y51 HydrophobicContact CE2-CD2 3.98Å; Y45-Y51 HydrophobicContact CG-CD2 4.21Å; Y45-N54 HydrophobicContact CD1-CB 4.42Å; Y45-N54 HydrophobicContact CE1-CB 3.53Å
46	R	42	Very low	46	Very low	189 Å²	189	68.6 Å²	68.6	71%	0.713	38%	0.381	S	S	*	.	S	Bend	trans	-73.4	-25.7	-172.2	-68.2	-179.2	179	-179.4	2.1	112.9
47	N	47.7	Very low	45.5	Very low	59 Å²	59	72.5 Å²	72.5	32%	0.316	41%	0.408	S	S	.	.	S	Bend	trans	-150	170.6	179.9	64.9	62.3	0	0	0	109.7	F32 Y45 D49 D50 Y51	F32-N47 VanDerWaalsContact CD2-C 3.43Å; Y45-N47 VanDerWaalsContact C-N 3.31Å; Y45-N47 PolarHBondContact O-N 2.61Å; N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 3.39Å; N47-D49 WeakPolarHBondContact OD1-CA 3.35Å; N47-D49 WeakPolarHBondContact OD1-CB 3.46Å; N47-D49 PolarHBondContact OD1-N 3.23Å; N47-D50 PolarHBondContact ND2-OD2 3.45Å; N47-D50 PolarHBondContact OD1-N 3.15Å; N47-Y51 PolarHBondContact O-N 3.42Å
48	K	47.8	Very low	45.6	Very low	105 Å²	105	76 Å²	76	46%	0.457	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-30.3	-176.7	-166.9	171.6	179.5	164	0	112.8	F32 Y51 S52 D505	F32-K48 HydrophobicContact CE1-CB 3.87Å; F32-K48 HydrophobicContact CE1-CD 4.28Å; F32-K48 HydrophobicContact CE1-CG 3.89Å; F32-K48 HydrophobicContact CE2-CB 3.95Å; F32-K48 VanDerWaalsContact CE2-N 3.25Å; F32-K48 HydrophobicContact CZ-CB 3.51Å; F32-K48 HydrophobicContact CZ-CD 4.4Å; F32-K48 HydrophobicContact CZ-CG 4.04Å; K48-Y51 WeakPolarHBondContact O-CB 3.11Å; K48-Y51 PolarHBondContact O-N 3.24Å; K48-S52 WeakPolarHBondContact O-CB 3.47Å; K48-S52 PolarHBondContact O-N 3.4Å; K48-S52 PolarHBondContact O-OG 2.85Å; K48-D505 IonicContact NZ-OD2 2.94Å; K48-D505 PolarHBondContact NZ-OD2 3.41Å
49	D	57.5	Low	45.3	Very low	125 Å²	125	77.4 Å²	77.4	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-73.8	-43.1	-176.5	-54	-33.7	0	0	0	109.8	N47 Y51 S52 A53	N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 3.39Å; N47-D49 WeakPolarHBondContact OD1-CA 3.35Å; N47-D49 WeakPolarHBondContact OD1-CB 3.46Å; N47-D49 PolarHBondContact OD1-N 3.23Å; D49-Y51 VanDerWaalsContact C-N 3.32Å; D49-Y51 PolarHBondContact O-N 3.44Å; D49-S52 PolarHBondContact O-N 2.84Å; D49-S52 VanDerWaalsContact O-N 3.14Å; D49-A53 WeakPolarHBondContact O-CB 3.16Å; D49-A53 PolarHBondContact O-N 2.8Å
50	D	54.6	Low	44.8	Very low	67 Å²	67	79.9 Å²	79.9	36%	0.358	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-43	171.4	-77.6	-11.3	0	0	0	111.4	Y45 N47 N54	Y45-D50 HydrophobicContact CD1-CB 4.35Å; Y45-D50 WeakPolarHBondContact CD1-O 3.24Å; N47-D50 PolarHBondContact ND2-OD2 3.45Å; N47-D50 PolarHBondContact OD1-N 3.15Å; D50-N54 PolarHBondContact O-N 2.96Å; D50-N54 PolarHBondContact O-ND2 3.33Å
51	Y	48.4	Very low	44.3	Very low	3 Å²	3	87.9 Å²	87.9	1%	0.012	48%	0.484	C	S	.	.	H	α-helix	trans	-59.8	-46.3	173.9	172	-83.3	0	0	0	111.3	F32 T34 Y45 N47 K48 D49 L55 G504	F32-Y51 HydrophobicContact CB-CD2 3.9Å; F32-Y51 HydrophobicContact CB-CG 4.18Å; T34-Y51 HydrophobicContact CG2-CD2 4.03Å; T34-Y51 HydrophobicContact CG2-CE2 3.33Å; Y45-Y51 AromaticContact CD2-CD2 3.62Å; Y45-Y51 HydrophobicContact CD2-CD2 3.62Å; Y45-Y51 HydrophobicContact CD2-CG 4.34Å; Y45-Y51 AromaticContact CE2-CD2 3.98Å; Y45-Y51 HydrophobicContact CE2-CD2 3.98Å; Y45-Y51 HydrophobicContact CG-CD2 4.21Å; N47-Y51 PolarHBondContact O-N 3.42Å; K48-Y51 WeakPolarHBondContact O-CB 3.11Å; K48-Y51 PolarHBondContact O-N 3.24Å; D49-Y51 VanDerWaalsContact C-N 3.32Å; D49-Y51 PolarHBondContact O-N 3.44Å; Y51-L55 HydrophobicContact CD1-CD1 4.15Å; Y51-L55 HydrophobicContact CE1-CD1 3.42Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.42Å; Y51-L55 HydrophobicContact CE1-CG 4.35Å; Y51-G504 VanDerWaalsContact CZ-O 3.27Å; Y51-G504 WeakPolarHBondContact OH-CA 3.44Å; Y51-G504 PolarHBondContact OH-N 3.3Å; Y51-G504 PolarHBondContact OH-O 3.41Å
52	S	52.7	Low	43.8	Very low	64 Å²	64	91.8 Å²	91.8	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-71.8	-35.8	-175.4	-56	0	0	0	0	112.7	K48 D49 N54	K48-S52 WeakPolarHBondContact O-CB 3.47Å; K48-S52 PolarHBondContact O-N 3.4Å; K48-S52 PolarHBondContact O-OG 2.85Å; D49-S52 PolarHBondContact O-N 2.84Å; D49-S52 VanDerWaalsContact O-N 3.14Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 PolarHBondContact O-N 3.12Å
53	A	56.2	Low	43	Very low	82 Å²	82	99.8 Å²	99.8	68%	0.678	55%	0.549	S	S	*	.	H	α-helix	trans	-72.6	-21.5	-179.3	0	0	0	0	0	113.9	D49	D49-A53 WeakPolarHBondContact O-CB 3.16Å; D49-A53 PolarHBondContact O-N 2.8Å
54	N	48.4	Very low	42.4	Very low	105 Å²	105	101.3 Å²	101.3	56%	0.561	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	6.9	-175.2	-74.3	-75	0	0	0	113.8	Y45 D50 S52 A56	Y45-N54 HydrophobicContact CD1-CB 4.42Å; Y45-N54 HydrophobicContact CE1-CB 3.53Å; D50-N54 PolarHBondContact O-N 2.96Å; D50-N54 PolarHBondContact O-ND2 3.33Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 PolarHBondContact O-N 3.12Å; N54-A56 PolarHBondContact O-N 3.25Å
55	L	48.5	Very low	41.4	Very low	72 Å²	72	109 Å²	109	38%	0.377	61%	0.607	S	S	.	*	S	Bend	trans	-77.2	114.1	165	-82.3	160	0	0	0	108	Y51 Y502	Y51-L55 HydrophobicContact CD1-CD1 4.15Å; Y51-L55 HydrophobicContact CE1-CD1 3.42Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.42Å; Y51-L55 HydrophobicContact CE1-CG 4.35Å; L55-Y502 WeakPolarHBondContact CD2-O 3.4Å
56	A	41	Very low	40.5	Very low	83 Å²	83	112.3 Å²	112.3	69%	0.686	64%	0.64	S	S	*	*			trans	-58.3	139.5	177.1	0	0	0	0	0	110.9	N54 L58	N54-A56 PolarHBondContact O-N 3.25Å; A56-L58 PolarHBondContact O-N 2.76Å
57	P	35.4	Very low	39.7	Very low	125 Å²	125	109.6 Å²	109.6	81%	0.812	65%	0.645	S	S	*	*			trans	-62.3	134.3	171.1	-7.4	19.6	0	0	0	109.7	D59	P57-D59 VanDerWaalsContact C-N 3.26Å; P57-D59 PolarHBondContact O-N 3.44Å
58	L	34.5	Very low	38.7	Very low	140 Å²	140	111.7 Å²	111.7	73%	0.733	66%	0.664	S	S	*	*	S	Bend	trans	-79.9	6.8	-171.5	-93.2	153.2	0	0	0	115.2	A56	A56-L58 PolarHBondContact O-N 2.76Å
59	D	29.6	Very low	37.6	Very low	161 Å²	161	112.9 Å²	112.9	86%	0.861	68%	0.68	S	S	*	*			trans	-112.7	80.6	-175.8	-68.1	-36.3	0	0	0	112.3	P57	P57-D59 VanDerWaalsContact C-N 3.26Å; P57-D59 PolarHBondContact O-N 3.44Å
60	A	30.2	Very low	36.1	Very low	96 Å²	96	113.1 Å²	113.1	79%	0.793	69%	0.688	S	S	*	*			trans	-156.7	76.4	161.1	0	0	0	0	0	110.6
61	Q	28.1	Very low	35	Very low	173 Å²	173	115.2 Å²	115.2	81%	0.808	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-91.6	133.9	161	-72.7	-147.4	-38.5	0	0	109.9
62	P	30.9	Very low	34	Very low	125 Å²	125	124.1 Å²	124.1	81%	0.812	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-89.6	121.5	151.3	24.7	-11.2	0	0	0	109.4
63	H	28.1	Very low	32.9	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.806	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.9	164.7	-70.5	-90	0	0	0	111.2
64	S	33.5	Very low	31.5	Very low	119 Å²	119	129.6 Å²	129.6	83%	0.832	77%	0.769	S	S	*	*			trans	-165.2	112.6	135.5	65.5	0	0	0	0	110.9
65	E	25.8	Very low	30.4	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	78%	0.775	S	S	*	*			trans	-66.7	144	160.5	-64.8	170.5	142.3	0	0	110.2
66	A	28.7	Very low	29.4	Very low	97 Å²	97	136 Å²	136	80%	0.802	80%	0.802	S	S	*	*				178.1	127.3	127	0	0	0	0	0	112
67	T	25.4	Very low	28.7	Very low	132 Å²	132	140.6 Å²	140.6	81%	0.81	81%	0.809	S	S	*	*			trans	-42.1	141.3	162.3	44.2	0	0	0	0	116.3
68	S	27.3	Very low	28.3	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	80%	0.802	S	S	*	*				153.1	129	110.2	56.1	0	0	0	0	114.6
69	T	25.4	Very low	27.9	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	80%	0.804	S	S	*	*			trans	55.1	134.9	149	49.1	0	0	0	0	122.9
70	P	26.3	Very low	27.8	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.6	127.3	175.3	33.8	-28.9	0	0	0	111.1
71	S	31.4	Very low	27.6	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-103.4	129	166.7	51.2	0	0	0	0	110.8
72	E	25.6	Very low	27.5	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56	140.9	166	-65	171.2	132.8	0	0	110.6
73	L	30.9	Very low	27.4	Very low	172 Å²	172	135.5 Å²	135.5	90%	0.901	80%	0.801	S	S	*	*			trans	-125.8	113.1	155.3	-100.7	162	0	0	0	109.5
74	S	25.5	Very low	27.4	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	79%	0.793	S	S	*	*			trans	-67.2	155.5	-179.3	29.8	0	0	0	0	114.6
75	L	26.3	Very low	27	Very low	130 Å²	130	134.7 Å²	134.7	68%	0.681	80%	0.795	S	S	*	*			trans	69.6	101.8	141	-65.6	162.3	0	0	0	119.1	H77	L75-H77 WeakPolarHBondContact CD2-CD2 3.38Å
76	L	27.6	Very low	27.4	Very low	181 Å²	181	128.8 Å²	128.8	95%	0.948	78%	0.775	S	S	*	*				-124.3	93	128.6	-85.7	167.1	0	0	0	108.2	G78	L76-G78 PolarHBondContact O-N 3.35Å
77	H	26.4	Very low	28.1	Very low	181 Å²	181	127.9 Å²	127.9	84%	0.838	76%	0.759	S	S	*	*			trans	-68.3	110	159.2	-91.4	-49.3	0	0	0	107.9	L75	L75-H77 WeakPolarHBondContact CD2-CD2 3.38Å
78	G	27.9	Very low	28.6	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	75%	0.745	S	S	*	*			trans	-128.3	112.9	163.8	0	0	0	0	0	107.1	L76 D80	L76-G78 PolarHBondContact O-N 3.35Å; G78-D80 PolarHBondContact O-N 2.94Å
79	S	25.9	Very low	29.3	Very low	111 Å²	111	121.5 Å²	121.5	78%	0.776	72%	0.724	S	S	*	*			trans	-36.3	124.8	170.5	47	0	0	0	0	113.5
80	D	27.4	Very low	30.3	Very low	164 Å²	164	117.6 Å²	117.6	88%	0.877	70%	0.698	S	S	*	*			trans	-173.4	78.5	142.7	-87.6	-20.1	0	0	0	108.2	G78 E82	G78-D80 PolarHBondContact O-N 2.94Å; D80-E82 PolarHBondContact O-N 3.13Å
81	S	25.2	Very low	31.3	Very low	116 Å²	116	112.3 Å²	112.3	81%	0.811	66%	0.663	S	S	*	*			trans	-78.9	98.6	169.5	50.3	0	0	0	0	108.9
82	E	25.1	Very low	32.2	Very low	201 Å²	201	114.6 Å²	114.6	94%	0.939	66%	0.659	S	S	*	*	S	Bend	trans	162.2	87	150.1	-91.6	171.6	-169.7	0	0	109.4	D80	D80-E82 PolarHBondContact O-N 3.13Å
83	G	29.6	Very low	33.3	Very low	55 Å²	55	108.3 Å²	108.3	57%	0.567	63%	0.627	S	S	*	*	S	Bend	trans	162.8	-16.8	172.3	0	0	0	0	0	117.8	F85	G83-F85 PolarHBondContact O-N 3.11Å
84	A	28.1	Very low	34.3	Very low	77 Å²	77	103.7 Å²	103.7	64%	0.636	60%	0.597	S	S	*	*	H	α-helix	trans	-75.5	-24.7	-169.2	0	0	0	0	0	115.4	S86 T87	A84-S86 PolarHBondContact O-N 3.32Å; A84-T87 PolarHBondContact O-OG1 2.81Å; A84-T87 VanDerWaalsContact O-OG1 3.05Å
85	F	25.6	Very low	35.6	Very low	200 Å²	200	104.4 Å²	104.4	88%	0.877	59%	0.591	S	S	*	*	H	α-helix	trans	-73.8	-24.5	-173.9	-99	-88.9	0	0	0	114.8	G83	G83-F85 PolarHBondContact O-N 3.11Å
86	S	34.3	Very low	36.9	Very low	70 Å²	70	102.6 Å²	102.6	49%	0.49	58%	0.576	S	S	.	*	H	α-helix	trans	-72.8	-35.8	179.8	75	0	0	0	0	112.2	A84 S89 D90	A84-S86 PolarHBondContact O-N 3.32Å; S86-S89 PolarHBondContact O-OG 3.46Å; S86-S89 VanDerWaalsContact O-OG 3.1Å; S86-D90 WeakPolarHBondContact O-CB 3.16Å; S86-D90 VanDerWaalsContact O-CG 3.29Å; S86-D90 PolarHBondContact O-N 3.36Å; S86-D90 VanDerWaalsContact O-N 3.09Å
87	T	43.5	Very low	38	Very low	77 Å²	77	95.1 Å²	95.1	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-72.3	-35.2	-169.7	65.8	0	0	0	0	114.5	A84 D90 N91	A84-T87 PolarHBondContact O-OG1 2.81Å; A84-T87 VanDerWaalsContact O-OG1 3.05Å; T87-D90 PolarHBondContact O-N 3.47Å; T87-N91 PolarHBondContact O-N 3.11Å; T87-N91 PolarHBondContact O-ND2 3.48Å
88	A	34.7	Very low	39.4	Very low	61 Å²	61	87.3 Å²	87.3	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-72	-39.6	179.3	0	0	0	0	0	111.9	D90 K92	A88-D90 VanDerWaalsContact C-N 3.32Å; A88-K92 PolarHBondContact O-N 3.41Å
89	S	42.9	Very low	40.8	Very low	42 Å²	42	88.1 Å²	88.1	29%	0.294	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-38.5	174.3	87.9	0	0	0	0	111.1	S86 R93	S86-S89 PolarHBondContact O-OG 3.46Å; S86-S89 VanDerWaalsContact O-OG 3.1Å; S89-R93 WeakPolarHBondContact O-CB 3.37Å; S89-R93 WeakPolarHBondContact O-CD 3.38Å; S89-R93 WeakPolarHBondContact O-CG 3.41Å; S89-R93 PolarHBondContact O-N 2.75Å; S89-R93 VanDerWaalsContact O-N 3.09Å
90	D	46.1	Very low	42.1	Very low	46 Å²	46	84.6 Å²	84.6	25%	0.246	48%	0.476	C	S	.	.	H	α-helix	trans	-68.5	-37.7	179.8	-82.6	-5.5	0	0	0	112.9	S86 T87 A88 R93 R94	S86-D90 WeakPolarHBondContact O-CB 3.16Å; S86-D90 VanDerWaalsContact O-CG 3.29Å; S86-D90 PolarHBondContact O-N 3.36Å; S86-D90 VanDerWaalsContact O-N 3.09Å; T87-D90 PolarHBondContact O-N 3.47Å; A88-D90 VanDerWaalsContact C-N 3.32Å; D90-R93 IonicContact OD1-NH1 3.1Å; D90-R94 WeakPolarHBondContact O-CG 3.41Å; D90-R94 PolarHBondContact O-N 3.13Å
91	N	47.3	Very low	43.5	Very low	20 Å²	20	77 Å²	77	11%	0.107	44%	0.435	C	S	.	.	H	α-helix	trans	-68.5	-45.9	176.9	-78.1	-26.4	0	0	0	112.3	T87 R93 R94 E95	T87-N91 PolarHBondContact O-N 3.11Å; T87-N91 PolarHBondContact O-ND2 3.48Å; N91-R93 VanDerWaalsContact C-N 3.26Å; N91-R93 PolarHBondContact O-N 3.38Å; N91-R94 WeakPolarHBondContact O-CB 3.41Å; N91-R94 PolarHBondContact O-N 3.04Å; N91-R94 VanDerWaalsContact O-N 3.13Å; N91-E95 WeakPolarHBondContact O-CG 3.47Å; N91-E95 PolarHBondContact O-N 3.46Å
92	K	50.1	Low	45	Very low	160 Å²	160	71.9 Å²	71.9	70%	0.696	40%	0.401	S	S	*	.	H	α-helix	trans	-59.7	-38.7	175.4	-77	-172.2	177	-175.9	0	112	A88 E95 Y96	A88-K92 PolarHBondContact O-N 3.41Å; K92-E95 PolarHBondContact O-N 3.43Å; K92-Y96 PolarHBondContact O-N 3.26Å
93	R	48.7	Very low	46.6	Very low	58 Å²	58	66.8 Å²	66.8	22%	0.219	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-43.2	174.7	-73.8	169.3	-177.7	166.9	3.1	112.2	S89 D90 N91 Y96 C97 F149	S89-R93 WeakPolarHBondContact O-CB 3.37Å; S89-R93 WeakPolarHBondContact O-CD 3.38Å; S89-R93 WeakPolarHBondContact O-CG 3.41Å; S89-R93 PolarHBondContact O-N 2.75Å; S89-R93 VanDerWaalsContact O-N 3.09Å; D90-R93 IonicContact OD1-NH1 3.1Å; N91-R93 VanDerWaalsContact C-N 3.26Å; N91-R93 PolarHBondContact O-N 3.38Å; R93-Y96 PolarHBondContact O-N 2.98Å; R93-C97 PolarHBondContact O-N 3.38Å; R93-C97 PolarHBondContact O-SG 2.93Å; R93-F149 HydrophobicContact CB-CE2 4.43Å; R93-F149 HydrophobicContact CB-CZ 4.29Å; R93-F149 HydrophobicContact CG-CE2 4.2Å; R93-F149 HydrophobicContact CG-CZ 4.39Å
94	R	51.5	Low	48.1	Very low	74 Å²	74	65 Å²	65	28%	0.279	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-42.8	175.3	-76	174.2	172	166.1	0.8	112.1	D90 N91 Y96 C97 V98 L210	D90-R94 WeakPolarHBondContact O-CG 3.41Å; D90-R94 PolarHBondContact O-N 3.13Å; N91-R94 WeakPolarHBondContact O-CB 3.41Å; N91-R94 PolarHBondContact O-N 3.04Å; N91-R94 VanDerWaalsContact O-N 3.13Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; R94-C97 PolarHBondContact O-N 3.49Å; R94-V98 WeakPolarHBondContact O-CG2 2.98Å; R94-V98 PolarHBondContact O-N 3.24Å; R94-L210 PolarHBondContact NH1-O 3.03Å
95	E	54.6	Low	49.4	Very low	103 Å²	103	62.1 Å²	62.1	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-44.3	175.4	-72.6	169.4	-177.7	0	0	111.5	N91 K92 V98 S99	N91-E95 WeakPolarHBondContact O-CG 3.47Å; N91-E95 PolarHBondContact O-N 3.46Å; K92-E95 PolarHBondContact O-N 3.43Å; E95-V98 PolarHBondContact O-N 2.85Å; E95-S99 PolarHBondContact O-N 3.01Å
96	Y	53.1	Low	50.8	Low	93 Å²	93	56.2 Å²	56.2	37%	0.365	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-45	175.7	178.8	-92.5	0	0	0	112.4	K92 R93 R94 V98 S99 A100 D132	K92-Y96 PolarHBondContact O-N 3.26Å; R93-Y96 PolarHBondContact O-N 2.98Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; Y96-V98 VanDerWaalsContact C-N 3.32Å; Y96-V98 PolarHBondContact O-N 3.48Å; Y96-S99 PolarHBondContact O-N 3.39Å; Y96-A100 WeakPolarHBondContact O-CB 3.48Å; Y96-A100 PolarHBondContact O-N 3.48Å; Y96-D132 WeakPolarHBondContact CE1-OD1 3.31Å; Y96-D132 WeakPolarHBondContact CE1-OD2 3.35Å; Y96-D132 PolarHBondContact OH-OD1 2.98Å
97	C	51	Low	51.8	Low	24 Å²	24	57 Å²	57	16%	0.162	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-43.8	175.9	-65.9	0	0	0	0	112.1	R93 R94 A100 F101 F149 M207	R93-C97 PolarHBondContact O-N 3.38Å; R93-C97 PolarHBondContact O-SG 2.93Å; R94-C97 PolarHBondContact O-N 3.49Å; C97-A100 PolarHBondContact O-N 2.9Å; C97-F101 WeakPolarHBondContact O-CB 3.35Å; C97-F101 PolarHBondContact O-N 2.89Å; C97-F149 WeakPolarHBondContact SG-CE1 3.47Å; C97-M207 HydrophobicContact CB-CE 3.58Å
98	V	55.5	Low	52.2	Low	16 Å²	16	56.5 Å²	56.5	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-46.3	177.2	169.9	0	0	0	0	110.5	R94 E95 Y96 F101 G102 M207 K208	R94-V98 WeakPolarHBondContact O-CG2 2.98Å; R94-V98 PolarHBondContact O-N 3.24Å; E95-V98 PolarHBondContact O-N 2.85Å; Y96-V98 VanDerWaalsContact C-N 3.32Å; Y96-V98 PolarHBondContact O-N 3.48Å; V98-F101 PolarHBondContact O-N 3.43Å; V98-G102 PolarHBondContact O-N 2.88Å; V98-M207 HydrophobicContact CG2-CB 3.68Å; V98-M207 HydrophobicContact CG2-CE 4.39Å; V98-K208 HydrophobicContact CG1-CD 4.28Å; V98-K208 HydrophobicContact CG1-CG 3.55Å; V98-K208 HydrophobicContact CG2-CG 4.31Å
99	S	56.2	Low	53.1	Low	83 Å²	83	55.9 Å²	55.9	58%	0.58	28%	0.278	S	S	*	.	H	α-helix	trans	-63.1	-43.7	178.8	-170.5	0	0	0	0	112.2	E95 Y96 G102 Q103	E95-S99 PolarHBondContact O-N 3.01Å; Y96-S99 PolarHBondContact O-N 3.39Å; S99-G102 PolarHBondContact O-N 3.4Å; S99-Q103 PolarHBondContact O-N 2.97Å
100	A	53.6	Low	53.2	Low	36 Å²	36	61 Å²	61	30%	0.298	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-40.2	179.8	0	0	0	0	0	111.8	Y96 C97 W104	Y96-A100 WeakPolarHBondContact O-CB 3.48Å; Y96-A100 PolarHBondContact O-N 3.48Å; C97-A100 PolarHBondContact O-N 2.9Å; A100-W104 PolarHBondContact O-N 3.25Å; A100-W104 VanDerWaalsContact O-N 3.12Å
101	F	57.9	Low	53	Low	5 Å²	5	63 Å²	63	2%	0.022	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-46.8	175.6	-171.5	-103.5	0	0	0	111.4	C97 V98 Q103 W104 Q105 F121 L125 M128 A200 L203 E204	C97-F101 WeakPolarHBondContact O-CB 3.35Å; C97-F101 PolarHBondContact O-N 2.89Å; V98-F101 PolarHBondContact O-N 3.43Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; F101-Q103 PolarHBondContact O-N 3.28Å; F101-W104 HydrophobicContact CD2-CE3 4.45Å; F101-W104 HydrophobicContact CE2-CE3 4.04Å; F101-W104 HydrophobicContact CE2-CZ3 4.25Å; F101-W104 HydrophobicContact CZ-CE3 4.45Å; F101-W104 HydrophobicContact CZ-CZ3 4.4Å; F101-W104 WeakPolarHBondContact O-CB 3.38Å; F101-W104 PolarHBondContact O-N 3.43Å; F101-Q105 HydrophobicContact CD1-CG 4.11Å; F101-Q105 HydrophobicContact CE1-CG 3.86Å; F101-Q105 HydrophobicContact CZ-CG 4.3Å; F101-Q105 VanDerWaalsContact O-CG 3.31Å; F101-Q105 WeakPolarHBondContact O-CG 3.15Å; F101-Q105 PolarHBondContact O-N 3.13Å; F101-F121 HydrophobicContact CE2-CE2 4.43Å; F101-F121 HydrophobicContact CZ-CE2 4.45Å; F101-F121 HydrophobicContact CZ-CZ 4.49Å; F101-L125 HydrophobicContact CD2-CD2 4.15Å; F101-L125 HydrophobicContact CE2-CD2 3.65Å; F101-M128 HydrophobicContact CD2-SD 4.38Å; F101-A200 HydrophobicContact CE1-CB 4.15Å; F101-A200 VanDerWaalsContact CE1-O 3.28Å; F101-A200 WeakPolarHBondContact CE1-O 3.47Å; F101-A200 HydrophobicContact CZ-CB 3.73Å; F101-L203 HydrophobicContact CE2-CD2 4.46Å; F101-L203 HydrophobicContact CZ-CD2 4.19Å; F101-E204 HydrophobicContact CD1-CB 3.88Å; F101-E204 HydrophobicContact CD1-CG 4.12Å; F101-E204 HydrophobicContact CE1-CB 3.93Å
102	G	56.5	Low	52.4	Low	9 Å²	9	64.8 Å²	64.8	9%	0.093	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-40.7	175.8	0	0	0	0	0	113.1	V98 S99 Q105 E106	V98-G102 PolarHBondContact O-N 2.88Å; S99-G102 PolarHBondContact O-N 3.4Å; G102-Q105 WeakPolarHBondContact O-CB 3.11Å; G102-Q105 PolarHBondContact O-N 3.15Å; G102-E106 PolarHBondContact O-N 3.37Å
103	Q	57.4	Low	52	Low	93 Å²	93	63.7 Å²	63.7	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-44.4	174.9	-172.1	63	55.8	0	0	112.1	S99 F101 Q105 E106 D107	S99-Q103 PolarHBondContact O-N 2.97Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; F101-Q103 PolarHBondContact O-N 3.28Å; Q103-Q105 PolarHBondContact O-N 3.13Å; Q103-E106 PolarHBondContact O-N 2.77Å; Q103-E106 VanDerWaalsContact O-N 3.12Å; Q103-D107 PolarHBondContact NE2-OD1 3.38Å; Q103-D107 PolarHBondContact O-N 3.12Å
104	W	60.8	Low	51.7	Low	19 Å²	19	64.3 Å²	64.3	7%	0.072	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-36.1	174.5	173	92.3	0	0	0	111.9	A100 F101 D107 H108 Y109 F121 D124 M128	A100-W104 PolarHBondContact O-N 3.25Å; A100-W104 VanDerWaalsContact O-N 3.12Å; F101-W104 HydrophobicContact CD2-CE3 4.45Å; F101-W104 HydrophobicContact CE2-CE3 4.04Å; F101-W104 HydrophobicContact CE2-CZ3 4.25Å; F101-W104 HydrophobicContact CZ-CE3 4.45Å; F101-W104 HydrophobicContact CZ-CZ3 4.4Å; F101-W104 WeakPolarHBondContact O-CB 3.38Å; F101-W104 PolarHBondContact O-N 3.43Å; W104-D107 PolarHBondContact O-N 3.5Å; W104-H108 AromaticContact CD1-CD2 3.1Å; W104-H108 AromaticContact CD1-NE2 3.3Å; W104-H108 VanDerWaalsContact CD1-NE2 3.3Å; W104-H108 AromaticContact CD2-CD2 3.99Å; W104-H108 AromaticContact CE2-CD2 3.64Å; W104-H108 AromaticContact CG-CD2 3.65Å; W104-H108 HydrophobicContact CZ2-CB 4.38Å; W104-H108 AromaticContact NE1-CD2 3.13Å; W104-H108 PolarHBondContact NE1-CD2 2.83Å; W104-H108 AromaticContact NE1-CG 3.82Å; W104-H108 AromaticContact NE1-NE2 3.28Å; W104-H108 PolarHBondContact NE1-NE2 3.21Å; W104-H108 WeakPolarHBondContact O-CB 3.49Å; W104-H108 PolarHBondContact O-CD2 3.28Å; W104-H108 VanDerWaalsContact O-CD2 3.25Å; W104-H108 PolarHBondContact O-N 2.58Å; W104-Y109 HydrophobicContact CE3-CE2 4.3Å; W104-Y109 HydrophobicContact CH2-CE2 4.13Å; W104-Y109 AromaticContact CZ3-CE2 3.54Å; W104-Y109 HydrophobicContact CZ3-CE2 3.54Å; W104-Y109 AromaticContact CZ3-CZ 3.84Å; W104-F121 AromaticContact CH2-CD2 3.35Å; W104-F121 HydrophobicContact CH2-CD2 3.35Å; W104-F121 AromaticContact CH2-CE2 3.51Å; W104-F121 HydrophobicContact CH2-CE2 3.51Å; W104-F121 AromaticContact CZ2-CD2 3.95Å; W104-F121 HydrophobicContact CZ2-CD2 3.95Å; W104-F121 HydrophobicContact CZ2-CE2 4.37Å; W104-F121 HydrophobicContact CZ3-CD2 4.04Å; W104-F121 AromaticContact CZ3-CE2 3.69Å; W104-F121 HydrophobicContact CZ3-CE2 3.69Å; W104-D124 HydrophobicContact CZ2-CB 4.26Å; W104-M128 HydrophobicContact CB-CE 3.08Å; W104-M128 HydrophobicContact CD2-CE 3.82Å; W104-M128 HydrophobicContact CG-CE 3.06Å
105	Q	56.2	Low	51.7	Low	15 Å²	15	62.4 Å²	62.4	7%	0.07	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-47.8	172.9	-63.2	-159.2	-94.9	0	0	110.7	F101 G102 Q103 D107 H108 Y109 A200 E204	F101-Q105 HydrophobicContact CD1-CG 4.11Å; F101-Q105 HydrophobicContact CE1-CG 3.86Å; F101-Q105 HydrophobicContact CZ-CG 4.3Å; F101-Q105 VanDerWaalsContact O-CG 3.31Å; F101-Q105 WeakPolarHBondContact O-CG 3.15Å; F101-Q105 PolarHBondContact O-N 3.13Å; G102-Q105 WeakPolarHBondContact O-CB 3.11Å; G102-Q105 PolarHBondContact O-N 3.15Å; Q103-Q105 PolarHBondContact O-N 3.13Å; Q105-D107 PolarHBondContact O-N 3.33Å; Q105-H108 PolarHBondContact O-N 3.28Å; Q105-Y109 HydrophobicContact CB-CD2 3.54Å; Q105-Y109 HydrophobicContact CB-CE2 3.78Å; Q105-Y109 HydrophobicContact CG-CD2 4.01Å; Q105-Y109 HydrophobicContact CG-CE2 3.69Å; Q105-Y109 WeakPolarHBondContact O-CB 3.34Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.33Å; Q105-Y109 PolarHBondContact O-N 3.45Å; Q105-A200 VanDerWaalsContact NE2-CB 3.29Å; Q105-E204 VanDerWaalsContact OE1-CD 3.29Å; Q105-E204 PolarHBondContact OE1-OE2 2.96Å
106	E	55.7	Low	51.7	Low	77 Å²	77	64.9 Å²	64.9	36%	0.36	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-46	177.4	-70.1	177.5	-177.6	0	0	112.2	G102 Q103 H108 I485	G102-E106 PolarHBondContact O-N 3.37Å; Q103-E106 PolarHBondContact O-N 2.77Å; Q103-E106 VanDerWaalsContact O-N 3.12Å; E106-H108 VanDerWaalsContact C-N 3.34Å; E106-H108 PolarHBondContact O-N 3.03Å; E106-I485 WeakPolarHBondContact OE1-CD1 3.47Å
107	D	55.1	Low	51.9	Low	87 Å²	87	61.3 Å²	61.3	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-34.4	-176.7	-65.7	-12.3	0	0	0	112.6	Q103 W104 Q105 S111	Q103-D107 PolarHBondContact NE2-OD1 3.38Å; Q103-D107 PolarHBondContact O-N 3.12Å; W104-D107 PolarHBondContact O-N 3.5Å; Q105-D107 PolarHBondContact O-N 3.33Å; D107-S111 PolarHBondContact O-OG 2.99Å
108	H	52.3	Low	52.2	Low	66 Å²	66	61.9 Å²	61.9	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-103.2	-28.9	-174	-70.8	-85	0	0	0	114.9	W104 Q105 E106	W104-H108 AromaticContact CD1-CD2 3.1Å; W104-H108 AromaticContact CD1-NE2 3.3Å; W104-H108 VanDerWaalsContact CD1-NE2 3.3Å; W104-H108 AromaticContact CD2-CD2 3.99Å; W104-H108 AromaticContact CE2-CD2 3.64Å; W104-H108 AromaticContact CG-CD2 3.65Å; W104-H108 HydrophobicContact CZ2-CB 4.38Å; W104-H108 AromaticContact NE1-CD2 3.13Å; W104-H108 PolarHBondContact NE1-CD2 2.83Å; W104-H108 AromaticContact NE1-CG 3.82Å; W104-H108 AromaticContact NE1-NE2 3.28Å; W104-H108 PolarHBondContact NE1-NE2 3.21Å; W104-H108 WeakPolarHBondContact O-CB 3.49Å; W104-H108 PolarHBondContact O-CD2 3.28Å; W104-H108 VanDerWaalsContact O-CD2 3.25Å; W104-H108 PolarHBondContact O-N 2.58Å; Q105-H108 PolarHBondContact O-N 3.28Å; E106-H108 VanDerWaalsContact C-N 3.34Å; E106-H108 PolarHBondContact O-N 3.03Å
109	Y	51.6	Low	52.4	Low	47 Å²	47	66.6 Å²	66.6	18%	0.184	38%	0.378	C	S	.	.	H	α-helix	trans	-88.9	-28.1	-176.4	-69.4	-64.1	0	0	0	114.5	W104 Q105 L115 I196 I197 A200	W104-Y109 HydrophobicContact CE3-CE2 4.3Å; W104-Y109 HydrophobicContact CH2-CE2 4.13Å; W104-Y109 AromaticContact CZ3-CE2 3.54Å; W104-Y109 HydrophobicContact CZ3-CE2 3.54Å; W104-Y109 AromaticContact CZ3-CZ 3.84Å; Q105-Y109 HydrophobicContact CB-CD2 3.54Å; Q105-Y109 HydrophobicContact CB-CE2 3.78Å; Q105-Y109 HydrophobicContact CG-CD2 4.01Å; Q105-Y109 HydrophobicContact CG-CE2 3.69Å; Q105-Y109 WeakPolarHBondContact O-CB 3.34Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.33Å; Q105-Y109 PolarHBondContact O-N 3.45Å; Y109-L115 HydrophobicContact CD1-CD1 3.93Å; Y109-L115 HydrophobicContact CE1-CD1 3.65Å; Y109-L115 HydrophobicContact CE1-CD2 4.18Å; Y109-L115 HydrophobicContact CE1-CG 4.49Å; Y109-I196 HydrophobicContact CE1-CG2 4.49Å; Y109-I196 WeakPolarHBondContact OH-CG2 3.23Å; Y109-I196 PolarHBondContact OH-O 3.27Å; Y109-I197 HydrophobicContact CD1-CB 4.33Å; Y109-I197 HydrophobicContact CD1-CD1 4.21Å; Y109-I197 HydrophobicContact CD1-CG1 3.33Å; Y109-I197 HydrophobicContact CE1-CB 3.96Å; Y109-I197 HydrophobicContact CE1-CD1 4.43Å; Y109-I197 HydrophobicContact CE1-CG1 3.21Å; Y109-I197 HydrophobicContact CG-CG1 4.41Å; Y109-A200 HydrophobicContact CE2-CB 3.95Å; Y109-A200 WeakPolarHBondContact OH-CB 3.4Å
110	L	45.6	Very low	52.8	Low	149 Å²	149	65.3 Å²	65.3	78%	0.78	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.8	-178.2	-65.5	172.6	0	0	0	113.2
111	S	41.3	Very low	53.1	Low	90 Å²	90	63.7 Å²	63.7	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-12.2	-166.5	76.1	0	0	0	0	116.4	D107	D107-S111 PolarHBondContact O-OG 2.99Å
112	S	35.9	Very low	53.3	Low	57 Å²	57	68.8 Å²	68.8	40%	0.399	37%	0.371	S	S	.	.			trans	-146.8	134.6	-171.6	78.2	0	0	0	0	115.8	S114	S112-S114 PolarHBondContact O-N 3.44Å; S112-S114 VanDerWaalsContact O-N 3.07Å
113	S	41.2	Very low	53.6	Low	137 Å²	137	72.7 Å²	72.7	96%	0.958	39%	0.389	S	S	*	.	S	Bend	trans	-73.6	23.5	171	53.6	0	0	0	0	113.6
114	S	42.6	Very low	53.9	Low	70 Å²	70	69.5 Å²	69.5	49%	0.49	38%	0.375	S	S	.	.			trans	-152.7	75.4	-177.4	70.7	0	0	0	0	113.5	S112 K116	S112-S114 PolarHBondContact O-N 3.44Å; S112-S114 VanDerWaalsContact O-N 3.07Å; S114-K116 PolarHBondContact O-N 3.25Å
115	L	52.1	Low	53.9	Low	35 Å²	35	69.4 Å²	69.4	18%	0.183	38%	0.376	C	S	.	.			trans	-62.8	115.6	153.2	-82.4	156.1	0	0	0	107.7	Y109 G117 I196 I197	Y109-L115 HydrophobicContact CD1-CD1 3.93Å; Y109-L115 HydrophobicContact CE1-CD1 3.65Å; Y109-L115 HydrophobicContact CE1-CD2 4.18Å; Y109-L115 HydrophobicContact CE1-CG 4.49Å; L115-G117 PolarHBondContact O-N 2.56Å; L115-I196 HydrophobicContact CD2-CG2 4.31Å; L115-I197 HydrophobicContact CD1-CG1 4.19Å
116	K	55.1	Low	54.2	Low	155 Å²	155	70.4 Å²	70.4	67%	0.674	38%	0.384	S	S	*	.			trans	-76	31.8	-174.8	-56.8	177.8	177.6	173.8	0	114	S114 H120	S114-K116 PolarHBondContact O-N 3.25Å; K116-H120 HydrophobicContact CB-CB 3.74Å
117	G	55.4	Low	54.4	Low	17 Å²	17	70.6 Å²	70.6	18%	0.175	39%	0.385	C	S	.	.			trans	80.7	175.8	178.9	0	0	0	0	0	115.4	L115 D119 H120 F121	L115-G117 PolarHBondContact O-N 2.56Å; G117-D119 VanDerWaalsContact C-N 3.34Å; G117-D119 PolarHBondContact O-N 2.78Å; G117-H120 WeakPolarHBondContact O-CB 3.43Å; G117-H120 PolarHBondContact O-N 3.25Å; G117-H120 VanDerWaalsContact O-N 3.16Å; G117-F121 PolarHBondContact O-N 2.88Å
118	W	58.6	Low	54.6	Low	36 Å²	36	68.7 Å²	68.7	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-57.6	-38.8	-174.5	177.3	-113.3	0	0	0	114.9	H120 F121 K122 F157 T170 E192 I196 M199	W118-H120 VanDerWaalsContact C-N 3.26Å; W118-H120 PolarHBondContact O-N 2.92Å; W118-F121 AromaticContact CE3-CD1 3.65Å; W118-F121 HydrophobicContact CE3-CD1 3.65Å; W118-F121 HydrophobicContact CE3-CE1 4.39Å; W118-F121 HydrophobicContact CH2-CD1 4.24Å; W118-F121 HydrophobicContact CH2-CE1 4.3Å; W118-F121 AromaticContact CZ3-CD1 3.42Å; W118-F121 HydrophobicContact CZ3-CD1 3.42Å; W118-F121 VanDerWaalsContact CZ3-CD1 3.42Å; W118-F121 AromaticContact CZ3-CE1 3.71Å; W118-F121 HydrophobicContact CZ3-CE1 3.71Å; W118-F121 PolarHBondContact O-N 2.83Å; W118-K122 WeakPolarHBondContact O-CB 3.2Å; W118-K122 PolarHBondContact O-N 3.19Å; W118-F157 HydrophobicContact CH2-CE2 4.21Å; W118-F157 AromaticContact CH2-CZ 3.63Å; W118-F157 HydrophobicContact CH2-CZ 3.63Å; W118-F157 AromaticContact CZ2-CZ 3.87Å; W118-F157 HydrophobicContact CZ2-CZ 3.87Å; W118-T170 HydrophobicContact CB-CG2 3.94Å; W118-T170 HydrophobicContact CD2-CG2 3.88Å; W118-T170 HydrophobicContact CE3-CG2 3.38Å; W118-T170 HydrophobicContact CG-CG2 4.18Å; W118-T170 HydrophobicContact CZ3-CG2 4.02Å; W118-E192 WeakPolarHBondContact CB-OE1 3.31Å; W118-E192 PolarHBondContact N-OE1 2.8Å; W118-E192 VanDerWaalsContact N-OE1 3.12Å; W118-I196 HydrophobicContact CE3-CG1 4.28Å; W118-M199 HydrophobicContact CE3-CE 3.88Å; W118-M199 HydrophobicContact CH2-CE 3.94Å; W118-M199 HydrophobicContact CH2-SD 3.88Å; W118-M199 HydrophobicContact CZ3-CE 3.24Å; W118-M199 HydrophobicContact CZ3-SD 3.79Å
119	D	59.9	Low	54.6	Low	116 Å²	116	67.1 Å²	67.1	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-66.3	-33.3	-179.1	-69.7	-36.3	0	0	0	111.3	G117 N123	G117-D119 VanDerWaalsContact C-N 3.34Å; G117-D119 PolarHBondContact O-N 2.78Å; D119-N123 WeakPolarHBondContact O-CB 3.38Å; D119-N123 PolarHBondContact O-N 3.23Å; D119-N123 PolarHBondContact O-ND2 3.21Å
120	H	63.1	Low	54.8	Low	55 Å²	55	71.6 Å²	71.6	26%	0.255	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-47.5	172.8	-169.9	40.4	0	0	0	111.2	K116 G117 W118 K122 N123 D124	K116-H120 HydrophobicContact CB-CB 3.74Å; G117-H120 WeakPolarHBondContact O-CB 3.43Å; G117-H120 PolarHBondContact O-N 3.25Å; G117-H120 VanDerWaalsContact O-N 3.16Å; W118-H120 VanDerWaalsContact C-N 3.26Å; W118-H120 PolarHBondContact O-N 2.92Å; H120-K122 VanDerWaalsContact C-N 3.34Å; H120-K122 PolarHBondContact O-N 3.35Å; H120-N123 CarbonylContact O-C 3.57Å; H120-N123 PolarHBondContact O-N 3.03Å; H120-N123 VanDerWaalsContact O-N 3.15Å; H120-D124 IonicContact CD2-OD2 3.91Å; H120-D124 IonicContact CE1-OD1 3.27Å; H120-D124 PolarHBondContact CE1-OD1 3.46Å; H120-D124 VanDerWaalsContact CE1-OD1 3.27Å; H120-D124 IonicContact CE1-OD2 3.65Å; H120-D124 IonicContact ND1-OD1 3.45Å; H120-D124 PolarHBondContact ND1-OD1 3.39Å; H120-D124 IonicContact ND1-OD2 3.99Å; H120-D124 IonicContact NE2-OD2 3.68Å; H120-D124 WeakPolarHBondContact O-CB 3.29Å; H120-D124 VanDerWaalsContact O-CG 3.27Å; H120-D124 PolarHBondContact O-N 3.45Å
121	F	61.5	Low	55.1	Low	3 Å²	3	68.5 Å²	68.5	1%	0.013	37%	0.368	C	S	.	.	H	α-helix	trans	-56.9	-46.1	175.7	176.5	-112.9	0	0	0	112.3	F101 W104 G117 W118 D124 L125 I196 A200	F101-F121 HydrophobicContact CE2-CE2 4.43Å; F101-F121 HydrophobicContact CZ-CE2 4.45Å; F101-F121 HydrophobicContact CZ-CZ 4.49Å; W104-F121 AromaticContact CH2-CD2 3.35Å; W104-F121 HydrophobicContact CH2-CD2 3.35Å; W104-F121 AromaticContact CH2-CE2 3.51Å; W104-F121 HydrophobicContact CH2-CE2 3.51Å; W104-F121 AromaticContact CZ2-CD2 3.95Å; W104-F121 HydrophobicContact CZ2-CD2 3.95Å; W104-F121 HydrophobicContact CZ2-CE2 4.37Å; W104-F121 HydrophobicContact CZ3-CD2 4.04Å; W104-F121 AromaticContact CZ3-CE2 3.69Å; W104-F121 HydrophobicContact CZ3-CE2 3.69Å; G117-F121 PolarHBondContact O-N 2.88Å; W118-F121 AromaticContact CE3-CD1 3.65Å; W118-F121 HydrophobicContact CE3-CD1 3.65Å; W118-F121 HydrophobicContact CE3-CE1 4.39Å; W118-F121 HydrophobicContact CH2-CD1 4.24Å; W118-F121 HydrophobicContact CH2-CE1 4.3Å; W118-F121 AromaticContact CZ3-CD1 3.42Å; W118-F121 HydrophobicContact CZ3-CD1 3.42Å; W118-F121 VanDerWaalsContact CZ3-CD1 3.42Å; W118-F121 AromaticContact CZ3-CE1 3.71Å; W118-F121 HydrophobicContact CZ3-CE1 3.71Å; W118-F121 PolarHBondContact O-N 2.83Å; F121-D124 PolarHBondContact O-N 3.33Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CG 4.37Å; F121-L125 HydrophobicContact CE2-CD1 4.31Å; F121-L125 HydrophobicContact CE2-CG 4.29Å; F121-L125 HydrophobicContact CZ-CD1 3.72Å; F121-L125 HydrophobicContact CZ-CD2 4.41Å; F121-L125 HydrophobicContact CZ-CG 4.18Å; F121-L125 WeakPolarHBondContact O-CG 3.08Å; F121-L125 PolarHBondContact O-N 3.35Å; F121-I196 HydrophobicContact CB-CD1 4.48Å; F121-I196 HydrophobicContact CB-CG2 4.16Å; F121-I196 HydrophobicContact CD1-CG2 4.38Å; F121-I196 HydrophobicContact CD2-CG2 3.89Å; F121-I196 HydrophobicContact CE2-CG2 4.35Å; F121-I196 HydrophobicContact CG-CG2 3.88Å; F121-A200 HydrophobicContact CE2-CB 4.14Å; F121-A200 HydrophobicContact CZ-CB 4.18Å
122	K	61.5	Low	55.5	Low	112 Å²	112	65.1 Å²	65.1	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-41.7	176.7	-172.9	-176.7	176.1	-169.8	0	111.7	W118 H120 D124 L125 C126	W118-K122 WeakPolarHBondContact O-CB 3.2Å; W118-K122 PolarHBondContact O-N 3.19Å; H120-K122 VanDerWaalsContact C-N 3.34Å; H120-K122 PolarHBondContact O-N 3.35Å; K122-D124 VanDerWaalsContact C-N 3.34Å; K122-L125 PolarHBondContact O-N 3.36Å; K122-C126 WeakPolarHBondContact O-CB 3.38Å; K122-C126 PolarHBondContact O-N 2.72Å; K122-C126 PolarHBondContact O-SG 2.92Å; K122-C126 VanDerWaalsContact O-SG 3.35Å
123	N	63.5	Low	55.8	Low	90 Å²	90	65.8 Å²	65.8	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-39.8	176.3	-76.6	-29.4	0	0	0	111.5	D119 H120 C126 Q127	D119-N123 WeakPolarHBondContact O-CB 3.38Å; D119-N123 PolarHBondContact O-N 3.23Å; D119-N123 PolarHBondContact O-ND2 3.21Å; H120-N123 CarbonylContact O-C 3.57Å; H120-N123 PolarHBondContact O-N 3.03Å; H120-N123 VanDerWaalsContact O-N 3.15Å; N123-C126 CarbonylContact O-C 3.55Å; N123-C126 PolarHBondContact O-N 2.93Å; N123-Q127 WeakPolarHBondContact O-CB 3.44Å; N123-Q127 VanDerWaalsContact O-CG 3.22Å; N123-Q127 WeakPolarHBondContact O-CG 3.04Å; N123-Q127 PolarHBondContact O-N 3.49Å
124	D	63.1	Low	55.8	Low	27 Å²	27	66.2 Å²	66.2	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-45.7	176.3	-71.4	-5.5	0	0	0	110.8	W104 H120 F121 K122 C126 Q127 M128	W104-D124 HydrophobicContact CZ2-CB 4.26Å; H120-D124 IonicContact CD2-OD2 3.91Å; H120-D124 IonicContact CE1-OD1 3.27Å; H120-D124 PolarHBondContact CE1-OD1 3.46Å; H120-D124 VanDerWaalsContact CE1-OD1 3.27Å; H120-D124 IonicContact CE1-OD2 3.65Å; H120-D124 IonicContact ND1-OD1 3.45Å; H120-D124 PolarHBondContact ND1-OD1 3.39Å; H120-D124 IonicContact ND1-OD2 3.99Å; H120-D124 IonicContact NE2-OD2 3.68Å; H120-D124 WeakPolarHBondContact O-CB 3.29Å; H120-D124 VanDerWaalsContact O-CG 3.27Å; H120-D124 PolarHBondContact O-N 3.45Å; F121-D124 PolarHBondContact O-N 3.33Å; K122-D124 VanDerWaalsContact C-N 3.34Å; D124-C126 VanDerWaalsContact C-N 3.33Å; D124-C126 PolarHBondContact O-N 3.35Å; D124-Q127 PolarHBondContact O-N 3.01Å; D124-Q127 VanDerWaalsContact O-N 3.12Å; D124-M128 WeakPolarHBondContact O-CG 3.42Å; D124-M128 PolarHBondContact O-N 3.12Å
125	L	60.3	Low	55.8	Low	16 Å²	16	71.1 Å²	71.1	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-56.2	-45.7	171.7	-72.5	176.9	0	0	0	111.7	F101 F121 K122 M128 E129 L153	F101-L125 HydrophobicContact CD2-CD2 4.15Å; F101-L125 HydrophobicContact CE2-CD2 3.65Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CG 4.37Å; F121-L125 HydrophobicContact CE2-CD1 4.31Å; F121-L125 HydrophobicContact CE2-CG 4.29Å; F121-L125 HydrophobicContact CZ-CD1 3.72Å; F121-L125 HydrophobicContact CZ-CD2 4.41Å; F121-L125 HydrophobicContact CZ-CG 4.18Å; F121-L125 WeakPolarHBondContact O-CG 3.08Å; F121-L125 PolarHBondContact O-N 3.35Å; K122-L125 PolarHBondContact O-N 3.36Å; L125-M128 WeakPolarHBondContact O-CB 3.18Å; L125-M128 PolarHBondContact O-N 3.31Å; L125-E129 PolarHBondContact O-N 3.03Å; L125-E129 VanDerWaalsContact O-N 3.13Å; L125-L153 HydrophobicContact CD2-CD2 3.85Å
126	C	62	Low	55.1	Low	37 Å²	37	73.8 Å²	73.8	25%	0.25	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-32.5	176.6	-72.5	0	0	0	0	113.1	K122 N123 D124 E129 R130	K122-C126 WeakPolarHBondContact O-CB 3.38Å; K122-C126 PolarHBondContact O-N 2.72Å; K122-C126 PolarHBondContact O-SG 2.92Å; K122-C126 VanDerWaalsContact O-SG 3.35Å; N123-C126 CarbonylContact O-C 3.55Å; N123-C126 PolarHBondContact O-N 2.93Å; D124-C126 VanDerWaalsContact C-N 3.33Å; D124-C126 PolarHBondContact O-N 3.35Å; C126-E129 WeakPolarHBondContact O-CB 3.23Å; C126-E129 PolarHBondContact O-N 3.41Å; C126-R130 WeakPolarHBondContact O-CG 3.39Å; C126-R130 PolarHBondContact O-N 2.85Å; C126-R130 VanDerWaalsContact O-N 3.11Å
127	Q	61.5	Low	54.2	Low	81 Å²	81	71.6 Å²	71.6	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-73.9	-36.8	177.1	-74	-70.1	3.5	0	0	111.3	N123 D124 E129 R130 N131	N123-Q127 WeakPolarHBondContact O-CB 3.44Å; N123-Q127 VanDerWaalsContact O-CG 3.22Å; N123-Q127 WeakPolarHBondContact O-CG 3.04Å; N123-Q127 PolarHBondContact O-N 3.49Å; D124-Q127 PolarHBondContact O-N 3.01Å; D124-Q127 VanDerWaalsContact O-N 3.12Å; Q127-E129 VanDerWaalsContact C-N 3.3Å; Q127-E129 PolarHBondContact O-N 2.86Å; Q127-R130 PolarHBondContact O-N 3.23Å; Q127-R130 VanDerWaalsContact O-N 3.13Å; Q127-N131 WeakPolarHBondContact O-CB 3.45Å; Q127-N131 PolarHBondContact O-N 3.14Å; Q127-N131 PolarHBondContact O-ND2 3.17Å
128	M	58.2	Low	53.4	Low	47 Å²	47	76.8 Å²	76.8	23%	0.232	38%	0.375	C	S	.	.	H	α-helix	trans	-56.4	-46.9	168.5	-73	176.2	164	0	0	110.9	F101 W104 D124 L125 R130 N131 D132	F101-M128 HydrophobicContact CD2-SD 4.38Å; W104-M128 HydrophobicContact CB-CE 3.08Å; W104-M128 HydrophobicContact CD2-CE 3.82Å; W104-M128 HydrophobicContact CG-CE 3.06Å; D124-M128 WeakPolarHBondContact O-CG 3.42Å; D124-M128 PolarHBondContact O-N 3.12Å; L125-M128 WeakPolarHBondContact O-CB 3.18Å; L125-M128 PolarHBondContact O-N 3.31Å; M128-R130 VanDerWaalsContact C-N 3.28Å; M128-R130 PolarHBondContact O-N 3.42Å; M128-N131 PolarHBondContact O-N 2.98Å; M128-D132 PolarHBondContact O-N 2.98Å; M128-D132 VanDerWaalsContact O-N 3.15Å
129	E	53.3	Low	52.6	Low	32 Å²	32	80.4 Å²	80.4	15%	0.15	40%	0.402	C	S	.	.	H	α-helix	trans	-57.3	-40	174.9	-74.2	-177.3	149.7	0	0	111.9	L125 C126 Q127 V133 L153 S154	L125-E129 PolarHBondContact O-N 3.03Å; L125-E129 VanDerWaalsContact O-N 3.13Å; C126-E129 WeakPolarHBondContact O-CB 3.23Å; C126-E129 PolarHBondContact O-N 3.41Å; Q127-E129 VanDerWaalsContact C-N 3.3Å; Q127-E129 PolarHBondContact O-N 2.86Å; E129-V133 WeakPolarHBondContact O-CG2 3.28Å; E129-L153 HydrophobicContact CG-CB 3.94Å; E129-L153 WeakPolarHBondContact OE1-CB 3.36Å; E129-S154 PolarHBondContact OE1-N 3.18Å; E129-S154 VanDerWaalsContact OE1-N 3.12Å
130	R	54.7	Low	51.2	Low	141 Å²	141	78.2 Å²	78.2	53%	0.532	39%	0.39	S	S	.	.	H	α-helix	trans	-75.1	-39.5	179.6	-69.1	175.8	-155	171.9	4.6	113.7	C126 Q127 M128 V133 K134	C126-R130 WeakPolarHBondContact O-CG 3.39Å; C126-R130 PolarHBondContact O-N 2.85Å; C126-R130 VanDerWaalsContact O-N 3.11Å; Q127-R130 PolarHBondContact O-N 3.23Å; Q127-R130 VanDerWaalsContact O-N 3.13Å; M128-R130 VanDerWaalsContact C-N 3.28Å; M128-R130 PolarHBondContact O-N 3.42Å; R130-V133 PolarHBondContact O-N 3.36Å; R130-K134 PolarHBondContact O-N 3.47Å; R130-K134 VanDerWaalsContact O-N 3.11Å
131	N	52.7	Low	49.9	Very low	84 Å²	84	85.5 Å²	85.5	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-73.2	-33.9	-174.9	-75.3	-23.5	0	0	0	112.1	Q127 M128 K134 R135	Q127-N131 WeakPolarHBondContact O-CB 3.45Å; Q127-N131 PolarHBondContact O-N 3.14Å; Q127-N131 PolarHBondContact O-ND2 3.17Å; M128-N131 PolarHBondContact O-N 2.98Å; N131-K134 PolarHBondContact O-N 2.92Å; N131-R135 PolarHBondContact O-N 3.19Å
132	D	48.4	Very low	48.5	Very low	20 Å²	20	94 Å²	94	11%	0.107	46%	0.461	C	S	.	.	H	α-helix	trans	-68.6	-38.4	171.6	-100.7	-12.7	0	0	0	112.2	Y96 M128 K134 R135 H136 F149	Y96-D132 WeakPolarHBondContact CE1-OD1 3.31Å; Y96-D132 WeakPolarHBondContact CE1-OD2 3.35Å; Y96-D132 PolarHBondContact OH-OD1 2.98Å; M128-D132 PolarHBondContact O-N 2.98Å; M128-D132 VanDerWaalsContact O-N 3.15Å; D132-K134 VanDerWaalsContact C-N 3.28Å; D132-K134 PolarHBondContact O-N 2.91Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-H136 PolarHBondContact O-N 3.38Å; D132-F149 HydrophobicContact CB-CD1 4.1Å; D132-F149 HydrophobicContact CB-CE1 4.37Å; D132-F149 WeakPolarHBondContact OD2-CE1 3.24Å
133	V	43.3	Very low	47	Very low	70 Å²	70	92.1 Å²	92.1	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-57.9	-43.7	172.3	171.5	0	0	0	0	109.9	E129 R130 T137 F149	E129-V133 WeakPolarHBondContact O-CG2 3.28Å; R130-V133 PolarHBondContact O-N 3.36Å; V133-T137 PolarHBondContact O-N 3.12Å; V133-T137 PolarHBondContact O-OG1 2.98Å; V133-F149 HydrophobicContact CG2-CB 4.24Å
134	K	40.9	Very low	45.3	Very low	147 Å²	147	93.2 Å²	93.2	64%	0.639	48%	0.478	S	S	*	.	H	α-helix	trans	-68.5	-44.1	177.8	-73.8	-176.9	178.1	-178.9	0	113.6	R130 N131 D132 T137 V138	R130-K134 PolarHBondContact O-N 3.47Å; R130-K134 VanDerWaalsContact O-N 3.11Å; N131-K134 PolarHBondContact O-N 2.92Å; D132-K134 VanDerWaalsContact C-N 3.28Å; D132-K134 PolarHBondContact O-N 2.91Å; K134-T137 PolarHBondContact O-N 3.31Å; K134-V138 WeakPolarHBondContact O-CG2 3.32Å
135	R	41.9	Very low	43.6	Very low	173 Å²	173	103.5 Å²	103.5	65%	0.653	52%	0.515	S	S	*	.	H	α-helix	trans	-66.5	-38.4	-178.8	-81.5	-176.9	-179.5	167.3	1.1	112.9	N131 D132 V138 T139	N131-R135 PolarHBondContact O-N 3.19Å; D132-R135 PolarHBondContact O-N 3.11Å; R135-V138 PolarHBondContact O-N 3.38Å; R135-T139 PolarHBondContact O-OG1 2.89Å
136	H	38.7	Very low	42.1	Very low	90 Å²	90	107 Å²	107	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-81.9	-13.4	180	-72.5	2.6	0	0	0	114.3	D132 V138	D132-H136 PolarHBondContact O-N 3.38Å; H136-V138 VanDerWaalsContact C-N 3.3Å
137	T	36.9	Very low	40.6	Very low	110 Å²	110	110.6 Å²	110.6	68%	0.675	56%	0.558	S	S	*	*	H	α-helix	trans	-76.5	-18.6	170.6	-47.7	0	0	0	0	112.1	V133 K134	V133-T137 PolarHBondContact O-N 3.12Å; V133-T137 PolarHBondContact O-OG1 2.98Å; K134-T137 PolarHBondContact O-N 3.31Å
138	V	37.3	Very low	39.2	Very low	125 Å²	125	112.7 Å²	112.7	76%	0.758	57%	0.567	S	S	*	*	H	α-helix	trans	-96.9	-15	-175	178.3	0	0	0	0	113	K134 R135 H136	K134-V138 WeakPolarHBondContact O-CG2 3.32Å; R135-V138 PolarHBondContact O-N 3.38Å; H136-V138 VanDerWaalsContact C-N 3.3Å
139	T	41.5	Very low	38.1	Very low	112 Å²	112	112.1 Å²	112.1	69%	0.687	56%	0.563	S	S	*	*	S	Bend	trans	-106.5	10.9	-171.2	42.8	0	0	0	0	116.7	R135	R135-T139 PolarHBondContact O-OG1 2.89Å
140	D	31.4	Very low	37.2	Very low	71 Å²	71	112.7 Å²	112.7	38%	0.38	58%	0.577	S	S	.	*			trans	-127.5	98.8	176.2	-178.3	19.6	0	0	0	112.6	K142 I144	D140-K142 PolarHBondContact O-N 2.96Å; D140-K142 VanDerWaalsContact OD1-CA 3.26Å; D140-K142 WeakPolarHBondContact OD1-CA 3.42Å; D140-K142 VanDerWaalsContact OD1-CB 3.28Å; D140-K142 WeakPolarHBondContact OD1-CB 3.49Å; D140-K142 PolarHBondContact OD1-N 3.44Å; D140-I144 PolarHBondContact OD2-N 3.48Å; D140-I144 VanDerWaalsContact OD2-N 3.08Å
141	Q	34.5	Very low	36.6	Very low	208 Å²	208	108.4 Å²	108.4	97%	0.972	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	5.7	169.1	-77.4	-176.7	-17.1	0	0	113.6
142	K	33.2	Very low	36.4	Very low	182 Å²	182	107.6 Å²	107.6	79%	0.791	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	17.2	-179.5	-66.1	-171.6	174.8	-176.7	0	114.8	D140 I144	D140-K142 PolarHBondContact O-N 2.96Å; D140-K142 VanDerWaalsContact OD1-CA 3.26Å; D140-K142 WeakPolarHBondContact OD1-CA 3.42Å; D140-K142 VanDerWaalsContact OD1-CB 3.28Å; D140-K142 WeakPolarHBondContact OD1-CB 3.49Å; D140-K142 PolarHBondContact OD1-N 3.44Å; K142-I144 PolarHBondContact O-N 2.86Å
143	G	29.9	Very low	36.5	Very low	71 Å²	71	108.2 Å²	108.2	73%	0.732	56%	0.564	S	S	*	*			trans	68	30.2	156	0	0	0	0	0	116.2	R145	G143-R145 PolarHBondContact O-N 3.26Å
144	I	28.1	Very low	36.7	Very low	113 Å²	113	107.3 Å²	107.3	58%	0.579	56%	0.561	S	S	*	*			trans	-97.7	92.2	172.3	-50.1	-177.5	0	0	0	109.7	D140 K142 L146	D140-I144 PolarHBondContact OD2-N 3.48Å; D140-I144 VanDerWaalsContact OD2-N 3.08Å; K142-I144 PolarHBondContact O-N 2.86Å; I144-L146 HydrophobicContact CB-CD1 4.31Å; I144-L146 HydrophobicContact CG2-CD1 3.6Å; I144-L146 HydrophobicContact CG2-CG 3.9Å; I144-L146 PolarHBondContact O-N 3.31Å
145	R	28.1	Very low	37.3	Very low	243 Å²	243	105.8 Å²	105.8	92%	0.917	56%	0.555	S	S	*	*			trans	-57.4	105.6	168.5	-85.2	-177.6	170.9	-179.1	-2	110.1	G143	G143-R145 PolarHBondContact O-N 3.26Å
146	L	28.8	Very low	37.9	Very low	91 Å²	91	98.4 Å²	98.4	48%	0.476	53%	0.529	S	S	.	.			trans	-115.6	70.9	172.4	-76.1	148.1	0	0	0	110	I144 F148	I144-L146 HydrophobicContact CB-CD1 4.31Å; I144-L146 HydrophobicContact CG2-CD1 3.6Å; I144-L146 HydrophobicContact CG2-CG 3.9Å; I144-L146 PolarHBondContact O-N 3.31Å; L146-F148 VanDerWaalsContact C-N 3.33Å; L146-F148 PolarHBondContact O-N 3.49Å
147	S	29.5	Very low	38.8	Very low	111 Å²	111	95.8 Å²	95.8	78%	0.776	52%	0.516	S	S	*	.			trans	-68.9	83.6	168.4	54.7	0	0	0	0	110.2
148	F	32.4	Very low	39.9	Very low	126 Å²	126	94.7 Å²	94.7	55%	0.553	50%	0.503	S	S	*	.			trans	-140	-1.9	-179.6	-114.7	-89.8	0	0	0	116.4	L146	L146-F148 VanDerWaalsContact C-N 3.33Å; L146-F148 PolarHBondContact O-N 3.49Å
149	F	35	Very low	40.9	Very low	35 Å²	35	92.8 Å²	92.8	15%	0.154	49%	0.486	C	S	.	.	S	Bend	trans	-82	-38.1	-173.7	-98.2	-103.3	0	0	0	115.1	R93 C97 D132 V133 S151 K152	R93-F149 HydrophobicContact CB-CE2 4.43Å; R93-F149 HydrophobicContact CB-CZ 4.29Å; R93-F149 HydrophobicContact CG-CE2 4.2Å; R93-F149 HydrophobicContact CG-CZ 4.39Å; C97-F149 WeakPolarHBondContact SG-CE1 3.47Å; D132-F149 HydrophobicContact CB-CD1 4.1Å; D132-F149 HydrophobicContact CB-CE1 4.37Å; D132-F149 WeakPolarHBondContact OD2-CE1 3.24Å; V133-F149 HydrophobicContact CG2-CB 4.24Å; F149-S151 PolarHBondContact O-N 2.82Å; F149-K152 PolarHBondContact O-N 3.3Å
150	G	34.1	Very low	41.7	Very low	44 Å²	44	87.6 Å²	87.6	45%	0.454	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.4	-175.5	0	0	0	0	0	116.3
151	S	42.3	Very low	43.1	Very low	50 Å²	50	88.2 Å²	88.2	35%	0.35	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-16.9	175.5	76.5	0	0	0	0	112.9	F149 K155	F149-S151 PolarHBondContact O-N 2.82Å; S151-K155 WeakPolarHBondContact O-CB 3.49Å; S151-K155 WeakPolarHBondContact O-CD 3.42Å; S151-K155 WeakPolarHBondContact O-CG 3.44Å; S151-K155 PolarHBondContact O-N 2.77Å; S151-K155 VanDerWaalsContact O-N 3.14Å
152	K	49.2	Very low	44.4	Very low	68 Å²	68	87.3 Å²	87.3	30%	0.296	44%	0.439	S	S	.	.	H	α-helix	trans	-98.2	-34.6	-168.6	-146.3	171.9	-172.1	172.4	0	113.4	F149 K155 T156	F149-K152 PolarHBondContact O-N 3.3Å; K152-K155 PolarHBondContact O-N 2.73Å; K152-T156 WeakPolarHBondContact O-CA 3.45Å; K152-T156 WeakPolarHBondContact O-CB 3.29Å; K152-T156 PolarHBondContact O-N 3.36Å; K152-T156 PolarHBondContact O-OG1 2.83Å
153	L	49	Very low	45.6	Very low	32 Å²	32	84.8 Å²	84.8	17%	0.168	43%	0.428	C	S	.	.	H	α-helix	trans	-69.5	-45.8	173.1	-130.6	111.9	0	0	0	110.3	L125 E129 T156 F157 M207	L125-L153 HydrophobicContact CD2-CD2 3.85Å; E129-L153 HydrophobicContact CG-CB 3.94Å; E129-L153 WeakPolarHBondContact OE1-CB 3.36Å; L153-T156 PolarHBondContact O-N 3.47Å; L153-F157 WeakPolarHBondContact O-CB 3.48Å; L153-F157 PolarHBondContact O-N 3.25Å; L153-M207 HydrophobicContact CD1-CE 4.49Å
154	S	48.9	Very low	46.9	Very low	52 Å²	52	82.2 Å²	82.2	36%	0.364	40%	0.397	S	S	.	.	H	α-helix	trans	-57.2	-47.3	169.5	-173.1	0	0	0	0	112.8	E129 F157 E158	E129-S154 PolarHBondContact OE1-N 3.18Å; E129-S154 VanDerWaalsContact OE1-N 3.12Å; S154-F157 CarbonylContact O-C 3.58Å; S154-F157 PolarHBondContact O-N 2.83Å; S154-E158 WeakPolarHBondContact O-CB 3.3Å; S154-E158 WeakPolarHBondContact O-CG 3.45Å; S154-E158 PolarHBondContact O-N 3.23Å
155	K	53.3	Low	48.1	Very low	114 Å²	114	85 Å²	85	50%	0.496	41%	0.405	S	S	.	.	H	α-helix	trans	-64.9	-38.8	174.1	-80.3	173.1	-172.9	176.8	0	113.2	S151 K152 F157 E158 E159	S151-K155 WeakPolarHBondContact O-CB 3.49Å; S151-K155 WeakPolarHBondContact O-CD 3.42Å; S151-K155 WeakPolarHBondContact O-CG 3.44Å; S151-K155 PolarHBondContact O-N 2.77Å; S151-K155 VanDerWaalsContact O-N 3.14Å; K152-K155 PolarHBondContact O-N 2.73Å; K155-F157 VanDerWaalsContact C-N 3.34Å; K155-E158 CarbonylContact O-C 3.56Å; K155-E158 PolarHBondContact O-N 2.69Å; K155-E159 VanDerWaalsContact O-CB 3.28Å; K155-E159 WeakPolarHBondContact O-CB 3.09Å; K155-E159 VanDerWaalsContact O-CG 3.23Å; K155-E159 WeakPolarHBondContact O-CG 3.1Å; K155-E159 PolarHBondContact O-N 3.26Å
156	T	53.7	Low	49.3	Very low	19 Å²	19	81.8 Å²	81.8	12%	0.117	40%	0.397	C	S	.	.	H	α-helix	trans	-69.1	-37	177.6	-67.7	0	0	0	0	110.3	K152 L153 E159 F160 L203 M207 L210	K152-T156 WeakPolarHBondContact O-CA 3.45Å; K152-T156 WeakPolarHBondContact O-CB 3.29Å; K152-T156 PolarHBondContact O-N 3.36Å; K152-T156 PolarHBondContact O-OG1 2.83Å; L153-T156 PolarHBondContact O-N 3.47Å; T156-E159 PolarHBondContact O-N 3.27Å; T156-F160 WeakPolarHBondContact O-CB 3.1Å; T156-F160 PolarHBondContact O-N 3.29Å; T156-L203 HydrophobicContact CG2-CD1 4.48Å; T156-M207 HydrophobicContact CG2-CG 4.18Å; T156-L210 HydrophobicContact CG2-CD1 3.84Å
157	F	57.2	Low	50.4	Low	35 Å²	35	78 Å²	78	15%	0.154	38%	0.378	C	S	.	.	H	α-helix	trans	-67.2	-38.6	170.8	-175.4	-108.8	0	0	0	111	W118 L153 S154 K155 F160 R161 L203	W118-F157 HydrophobicContact CH2-CE2 4.21Å; W118-F157 AromaticContact CH2-CZ 3.63Å; W118-F157 HydrophobicContact CH2-CZ 3.63Å; W118-F157 AromaticContact CZ2-CZ 3.87Å; W118-F157 HydrophobicContact CZ2-CZ 3.87Å; L153-F157 WeakPolarHBondContact O-CB 3.48Å; L153-F157 PolarHBondContact O-N 3.25Å; S154-F157 CarbonylContact O-C 3.58Å; S154-F157 PolarHBondContact O-N 2.83Å; K155-F157 VanDerWaalsContact C-N 3.34Å; F157-F160 HydrophobicContact CD2-CD1 4.46Å; F157-F160 WeakPolarHBondContact O-CB 3.45Å; F157-R161 HydrophobicContact CD1-CG 4.48Å; F157-R161 VanDerWaalsContact CE1-CD 3.46Å; F157-R161 HydrophobicContact CE1-CG 4.27Å; F157-R161 HydrophobicContact CZ-CG 4.34Å; F157-R161 WeakPolarHBondContact O-CB 3.28Å; F157-R161 WeakPolarHBondContact O-CG 2.98Å; F157-R161 PolarHBondContact O-N 2.86Å; F157-L203 HydrophobicContact CD2-CD2 4.36Å
158	E	60	Low	51.4	Low	86 Å²	86	81.2 Å²	81.2	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-40.3	172.2	-76.7	-177.7	175.7	0	0	113	S154 K155 R161 R162	S154-E158 WeakPolarHBondContact O-CB 3.3Å; S154-E158 WeakPolarHBondContact O-CG 3.45Å; S154-E158 PolarHBondContact O-N 3.23Å; K155-E158 CarbonylContact O-C 3.56Å; K155-E158 PolarHBondContact O-N 2.69Å; E158-R161 CarbonylContact O-C 3.06Å; E158-R161 WeakPolarHBondContact O-CB 3.21Å; E158-R161 PolarHBondContact O-N 2.99Å; E158-R162 WeakPolarHBondContact O-CB 3.08Å; E158-R162 VanDerWaalsContact O-CG 3.29Å; E158-R162 WeakPolarHBondContact O-CG 3.26Å; E158-R162 PolarHBondContact O-N 3.08Å
159	E	58.9	Low	52.4	Low	85 Å²	85	75.6 Å²	75.6	40%	0.397	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-42	174.1	-78.8	173.2	-173	0	0	110.6	K155 T156 R162 K163	K155-E159 VanDerWaalsContact O-CB 3.28Å; K155-E159 WeakPolarHBondContact O-CB 3.09Å; K155-E159 VanDerWaalsContact O-CG 3.23Å; K155-E159 WeakPolarHBondContact O-CG 3.1Å; K155-E159 PolarHBondContact O-N 3.26Å; T156-E159 PolarHBondContact O-N 3.27Å; E159-R162 WeakPolarHBondContact O-CB 3.28Å; E159-R162 PolarHBondContact O-N 2.74Å; E159-K163 WeakPolarHBondContact O-CB 3.42Å; E159-K163 PolarHBondContact O-N 3.3Å
160	F	58.2	Low	53.4	Low	4 Å²	4	74.1 Å²	74.1	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-50.4	170.3	174.6	-104.9	0	0	0	110.3	T156 F157 R162 K163 E164 T202 L203 H206	T156-F160 WeakPolarHBondContact O-CB 3.1Å; T156-F160 PolarHBondContact O-N 3.29Å; F157-F160 HydrophobicContact CD2-CD1 4.46Å; F157-F160 WeakPolarHBondContact O-CB 3.45Å; F160-R162 PolarHBondContact O-N 2.7Å; F160-K163 PolarHBondContact O-N 3.14Å; F160-E164 HydrophobicContact CD2-CG 3.73Å; F160-E164 HydrophobicContact CE1-CG 4.2Å; F160-E164 HydrophobicContact CE2-CG 3.32Å; F160-E164 HydrophobicContact CG-CG 4.3Å; F160-E164 HydrophobicContact CZ-CG 3.59Å; F160-E164 VanDerWaalsContact O-CB 3.3Å; F160-E164 WeakPolarHBondContact O-CB 3.23Å; F160-E164 WeakPolarHBondContact O-CG 3.35Å; F160-E164 PolarHBondContact O-N 3.48Å; F160-T202 HydrophobicContact CE2-CG2 3.49Å; F160-T202 VanDerWaalsContact CE2-CG2 3.49Å; F160-T202 HydrophobicContact CZ-CG2 3.77Å; F160-L203 HydrophobicContact CB-CD1 4.31Å; F160-L203 HydrophobicContact CG-CD1 4.26Å; F160-H206 HydrophobicContact CD2-CB 4.1Å
161	R	61.1	Low	54.4	Low	83 Å²	83	80.4 Å²	80.4	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-33.1	175.2	-72.8	171.8	78.5	-179.2	-1.6	113.2	F157 E158 K165 P167 K168	F157-R161 HydrophobicContact CD1-CG 4.48Å; F157-R161 VanDerWaalsContact CE1-CD 3.46Å; F157-R161 HydrophobicContact CE1-CG 4.27Å; F157-R161 HydrophobicContact CZ-CG 4.34Å; F157-R161 WeakPolarHBondContact O-CB 3.28Å; F157-R161 WeakPolarHBondContact O-CG 2.98Å; F157-R161 PolarHBondContact O-N 2.86Å; E158-R161 CarbonylContact O-C 3.06Å; E158-R161 WeakPolarHBondContact O-CB 3.21Å; E158-R161 PolarHBondContact O-N 2.99Å; R161-K165 PolarHBondContact O-N 3.01Å; R161-P167 PolarHBondContact NE-O 3.37Å; R161-P167 PolarHBondContact NH2-O 3.13Å; R161-K168 VanDerWaalsContact NH2-CA 3.35Å
162	R	60.8	Low	55.2	Low	189 Å²	189	80.9 Å²	80.9	71%	0.713	36%	0.362	S	S	*	.	H	α-helix	trans	-73.1	-47.3	174.7	-76.6	175.4	-178.2	174.1	3.5	111.8	E158 E159 F160 K165	E158-R162 WeakPolarHBondContact O-CB 3.08Å; E158-R162 VanDerWaalsContact O-CG 3.29Å; E158-R162 WeakPolarHBondContact O-CG 3.26Å; E158-R162 PolarHBondContact O-N 3.08Å; E159-R162 WeakPolarHBondContact O-CB 3.28Å; E159-R162 PolarHBondContact O-N 2.74Å; F160-R162 PolarHBondContact O-N 2.7Å; R162-K165 PolarHBondContact O-N 3.5Å
163	K	58.4	Low	55.6	Low	130 Å²	130	77.8 Å²	77.8	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-65.5	-44.7	180	-85.5	-177.5	172	178.8	0	112.1	E159 F160 K165 H206	E159-K163 WeakPolarHBondContact O-CB 3.42Å; E159-K163 PolarHBondContact O-N 3.3Å; F160-K163 PolarHBondContact O-N 3.14Å; K163-K165 PolarHBondContact O-N 3.31Å; K163-H206 PolarHBondContact NZ-CE1 3.44Å
164	E	57.7	Low	56	Low	16 Å²	16	78 Å²	78	8%	0.075	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.9	177.9	-67.1	-57.3	156.1	0	0	113.4	F160 K166 H179 T182	F160-E164 HydrophobicContact CD2-CG 3.73Å; F160-E164 HydrophobicContact CE1-CG 4.2Å; F160-E164 HydrophobicContact CE2-CG 3.32Å; F160-E164 HydrophobicContact CG-CG 4.3Å; F160-E164 HydrophobicContact CZ-CG 3.59Å; F160-E164 VanDerWaalsContact O-CB 3.3Å; F160-E164 WeakPolarHBondContact O-CB 3.23Å; F160-E164 WeakPolarHBondContact O-CG 3.35Å; F160-E164 PolarHBondContact O-N 3.48Å; E164-K166 PolarHBondContact O-N 2.91Å; E164-H179 PolarHBondContact O-CE1 3.45Å; E164-H179 IonicContact OE2-CE1 3.32Å; E164-H179 PolarHBondContact OE2-CE1 3.11Å; E164-H179 IonicContact OE2-NE2 2.61Å; E164-H179 PolarHBondContact OE2-NE2 2.96Å; E164-T182 WeakPolarHBondContact OE1-CG2 3.32Å
165	K	52.9	Low	56.6	Low	172 Å²	172	78.1 Å²	78.1	75%	0.748	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.8	67.2	176.3	-64.9	-178.5	-179.6	176.5	0	112.9	R161 R162 K163	R161-K165 PolarHBondContact O-N 3.01Å; R162-K165 PolarHBondContact O-N 3.5Å; K163-K165 PolarHBondContact O-N 3.31Å
166	K	53.5	Low	56.9	Low	175 Å²	175	78.4 Å²	78.4	76%	0.761	37%	0.369	S	S	*	.			trans	109.6	97.1	174.3	-58.6	153.4	-175.1	-174.6	0	113.1	E164	E164-K166 PolarHBondContact O-N 2.91Å
167	P	51.3	Low	57.1	Low	12 Å²	12	82 Å²	82	8%	0.078	38%	0.384	C	S	.	.				-138.6	136.1	111.5	17.4	2.2	0	0	0	113.3	R161 G169	R161-P167 PolarHBondContact NE-O 3.37Å; R161-P167 PolarHBondContact NH2-O 3.13Å; P167-G169 VanDerWaalsContact C-N 3.32Å
168	K	50.7	Low	57.7	Low	178 Å²	178	83.4 Å²	83.4	77%	0.774	40%	0.398	S	S	*	.	S	Bend	trans	-82.4	-7.3	165.7	-65.7	179.8	177.6	178	0	114.2	R161 H172	R161-K168 VanDerWaalsContact NH2-CA 3.35Å; K168-H172 PolarHBondContact N-CD2 3.42Å
169	G	54.4	Low	58.4	Low	9 Å²	9	79.9 Å²	79.9	9%	0.093	38%	0.382	C	S	.	.	S	Bend	trans	163.8	179.8	-179.1	0	0	0	0	0	110.3	P167 K171 H172	P167-G169 VanDerWaalsContact C-N 3.32Å; G169-K171 PolarHBondContact O-N 3.39Å; G169-H172 PolarHBondContact O-N 3.37Å
170	T	56	Low	59.5	Low	4 Å²	4	78.8 Å²	78.8	3%	0.025	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-55	-31	176.7	43.2	0	0	0	0	114.1	W118 H172 L173 V174 E192 I196 M199	W118-T170 HydrophobicContact CB-CG2 3.94Å; W118-T170 HydrophobicContact CD2-CG2 3.88Å; W118-T170 HydrophobicContact CE3-CG2 3.38Å; W118-T170 HydrophobicContact CG-CG2 4.18Å; W118-T170 HydrophobicContact CZ3-CG2 4.02Å; T170-H172 PolarHBondContact O-N 3.35Å; T170-L173 WeakPolarHBondContact O-CB 3.38Å; T170-L173 PolarHBondContact O-N 3.45Å; T170-V174 PolarHBondContact O-N 2.98Å; T170-E192 WeakPolarHBondContact CB-OE1 3.39Å; T170-E192 HydrophobicContact CG2-CG 3.72Å; T170-E192 PolarHBondContact OG1-OE1 2.98Å; T170-I196 HydrophobicContact CG2-CD1 4.1Å; T170-I196 HydrophobicContact CG2-CG1 3.47Å; T170-I196 VanDerWaalsContact CG2-CG1 3.47Å; T170-M199 HydrophobicContact CG2-CE 3.38Å
171	K	55.7	Low	60.7	Low	175 Å²	175	79.7 Å²	79.7	76%	0.761	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-55.5	-26.9	-176.4	-65.1	-173.8	178.3	-177.3	0	114.1	G169	G169-K171 PolarHBondContact O-N 3.39Å
172	H	57.7	Low	61.7	Low	61 Å²	61	80.4 Å²	80.4	28%	0.282	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-86.6	-6.3	179.2	-59.7	-67.2	0	0	0	114.1	K168 G169 T170 E177	K168-H172 PolarHBondContact N-CD2 3.42Å; G169-H172 PolarHBondContact O-N 3.37Å; T170-H172 PolarHBondContact O-N 3.35Å; H172-E177 WeakPolarHBondContact CA-OE2 3.33Å; H172-E177 WeakPolarHBondContact CB-OE2 3.39Å; H172-E177 IonicContact CE1-OE2 2.82Å; H172-E177 IonicContact CG-OE2 3.94Å; H172-E177 VanDerWaalsContact CG-OE2 3.32Å; H172-E177 IonicContact ND1-OE1 3.6Å; H172-E177 IonicContact ND1-OE2 3.5Å; H172-E177 PolarHBondContact ND1-OE2 2.77Å; H172-E177 CarbonylContact O-C 3.55Å; H172-E177 WeakPolarHBondContact O-CB 3.39Å
173	L	57.4	Low	63	Low	2 Å²	2	72.9 Å²	72.9	1%	0.01	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-17.9	178	-64.8	179.6	0	0	0	111.8	T170 H179 F189 A195 M199	T170-L173 WeakPolarHBondContact O-CB 3.38Å; T170-L173 PolarHBondContact O-N 3.45Å; L173-H179 HydrophobicContact CD2-CB 3.22Å; L173-F189 HydrophobicContact CB-CD2 3.89Å; L173-F189 HydrophobicContact CB-CE2 4.29Å; L173-F189 WeakPolarHBondContact O-CD2 3.36Å; L173-F189 PolarHBondContact O-N 3.03Å; L173-A195 HydrophobicContact CB-CB 3.71Å; L173-A195 HydrophobicContact CD1-CB 4.18Å; L173-M199 HydrophobicContact CD1-CE 3.73Å; L173-M199 HydrophobicContact CD1-CG 3.38Å; L173-M199 HydrophobicContact CD1-SD 3.41Å; L173-M199 WeakPolarHBondContact CD1-SD 3.14Å
174	V	58.9	Low	64.5	Low	37 Å²	37	67 Å²	67	22%	0.224	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-88.6	134.8	173.5	-175.6	0	0	0	0	108.3	T170 E192 A195	T170-V174 PolarHBondContact O-N 2.98Å; V174-E192 HydrophobicContact CG2-CB 4.36Å; V174-A195 HydrophobicContact CG2-CB 4.27Å
175	A	60.8	Low	66	Low	54 Å²	54	67.1 Å²	67.1	45%	0.446	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	141.2	-174.7	0	0	0	0	0	113.7	Q188 F189	A175-Q188 HydrophobicContact CB-CG 4.2Å; A175-Q188 VanDerWaalsContact CB-NE2 3.32Å; A175-F189 PolarHBondContact N-O 3.14Å
176	P	58.6	Low	67.7	Low	121 Å²	121	61.2 Å²	61.2	79%	0.786	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.9	-0.9	14.1	36.5	-35.7	0	0	0	114.4
177	E	59.7	Low	69	Low	93 Å²	93	54.7 Å²	54.7	44%	0.435	30%	0.297	S	S	.	.			trans	-78.8	138.5	-176.6	-62	-166.4	-157.2	0	0	111.2	H172	H172-E177 WeakPolarHBondContact CA-OE2 3.33Å; H172-E177 WeakPolarHBondContact CB-OE2 3.39Å; H172-E177 IonicContact CE1-OE2 2.82Å; H172-E177 IonicContact CG-OE2 3.94Å; H172-E177 VanDerWaalsContact CG-OE2 3.32Å; H172-E177 IonicContact ND1-OE1 3.6Å; H172-E177 IonicContact ND1-OE2 3.5Å; H172-E177 PolarHBondContact ND1-OE2 2.77Å; H172-E177 CarbonylContact O-C 3.55Å; H172-E177 WeakPolarHBondContact O-CB 3.39Å
178	S	70	Confident	70.2	Confident	65 Å²	65	59.7 Å²	59.7	46%	0.455	32%	0.319	S	S	.	.			trans	-124.5	145.4	-177.3	68.6	0	0	0	0	110.9	Q187	S178-Q187 WeakPolarHBondContact CA-O 3.47Å
179	H	73.1	Confident	71.3	Confident	13 Å²	13	52.4 Å²	52.4	6%	0.06	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.3	174.5	160.9	72.8	0	0	0	109.6	E164 L173 I186 Q187 Y198	E164-H179 PolarHBondContact O-CE1 3.45Å; E164-H179 IonicContact OE2-CE1 3.32Å; E164-H179 PolarHBondContact OE2-CE1 3.11Å; E164-H179 IonicContact OE2-NE2 2.61Å; E164-H179 PolarHBondContact OE2-NE2 2.96Å; L173-H179 HydrophobicContact CD2-CB 3.22Å; H179-I186 CarbonylContact O-C 3.59Å; H179-Q187 PolarHBondContact N-O 3.47Å; H179-Q187 WeakPolarHBondContact O-CB 2.99Å; H179-Q187 PolarHBondContact O-N 3.43Å; H179-Y198 AromaticContact CD2-CE1 3.72Å; H179-Y198 AromaticContact CD2-CZ 3.96Å; H179-Y198 PolarHBondContact CD2-OH 2.85Å; H179-Y198 PolarHBondContact NE2-OH 3.47Å
180	T	82.5	Confident	72.1	Confident	62 Å²	62	56.1 Å²	56.1	38%	0.38	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.5	172.7	-56.8	0	0	0	0	109.4	F185 T307	T180-F185 CarbonylContact C-O 3.59Å; T180-F185 VanDerWaalsContact CA-O 3.28Å; T180-F185 WeakPolarHBondContact CA-O 3.41Å; T180-T307 HydrophobicContact CG2-CG2 3.69Å
181	D	83.3	Confident	72.8	Confident	23 Å²	23	58.8 Å²	58.8	12%	0.123	33%	0.326	C	S	.	.			trans	-73.5	175	178.6	74.2	19.1	0	0	0	112.8	Y183 G184 F185 Q187 Y198	D181-Y183 PolarHBondContact O-N 3.34Å; D181-Y183 VanDerWaalsContact O-N 3.11Å; D181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; D181-Y183 PolarHBondContact OD1-N 2.98Å; D181-G184 PolarHBondContact O-N 3.09Å; D181-G184 PolarHBondContact OD1-N 2.99Å; D181-F185 PolarHBondContact N-O 3.04Å; D181-F185 PolarHBondContact OD1-N 3.37Å; D181-F185 WeakPolarHBondContact OD2-CB 3.36Å; D181-Q187 HydrophobicContact CB-CG 4.47Å; D181-Q187 PolarHBondContact OD2-NE2 3.46Å; D181-Y198 VanDerWaalsContact CB-OH 3.29Å; D181-Y198 WeakPolarHBondContact CB-OH 3.35Å
182	T	82.8	Confident	73.4	Confident	97 Å²	97	53.8 Å²	53.8	60%	0.595	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.7	-179.5	57.7	0	0	0	0	115	E164	E164-T182 WeakPolarHBondContact OE1-CG2 3.32Å
183	Y	87.7	Confident	73.7	Confident	32 Å²	32	53.1 Å²	53.1	13%	0.125	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.1	176.8	-58.9	-66.5	0	0	0	112.7	D181 S247 N306 F350 F427 L431	D181-Y183 PolarHBondContact O-N 3.34Å; D181-Y183 VanDerWaalsContact O-N 3.11Å; D181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; D181-Y183 PolarHBondContact OD1-N 2.98Å; Y183-S247 PolarHBondContact OH-OG 3.44Å; Y183-N306 PolarHBondContact O-ND2 3.47Å; Y183-F350 HydrophobicContact CD1-CE1 4.32Å; Y183-F350 AromaticContact CD1-CZ 3.88Å; Y183-F350 HydrophobicContact CD1-CZ 3.88Å; Y183-F350 HydrophobicContact CE1-CE1 4.14Å; Y183-F350 AromaticContact CE1-CZ 3.9Å; Y183-F350 HydrophobicContact CE1-CZ 3.9Å; Y183-F427 HydrophobicContact CD1-CD1 4.16Å; Y183-F427 AromaticContact CD1-CE1 3.57Å; Y183-F427 HydrophobicContact CD1-CE1 3.57Å; Y183-F427 AromaticContact CD2-CD1 3.62Å; Y183-F427 HydrophobicContact CD2-CD1 3.62Å; Y183-F427 AromaticContact CD2-CE1 3.89Å; Y183-F427 HydrophobicContact CD2-CE1 3.89Å; Y183-F427 HydrophobicContact CE1-CE1 4.13Å; Y183-F427 HydrophobicContact CE2-CD1 4.06Å; Y183-F427 HydrophobicContact CE2-CE1 4.41Å; Y183-F427 AromaticContact CG-CD1 3.67Å; Y183-F427 HydrophobicContact CG-CD1 3.67Å; Y183-F427 AromaticContact CG-CE1 3.43Å; Y183-F427 HydrophobicContact CG-CE1 3.43Å; Y183-F427 VanDerWaalsContact CG-CE1 3.43Å; Y183-L431 HydrophobicContact CD1-CD1 4.31Å; Y183-L431 HydrophobicContact CE1-CD1 3.55Å; Y183-L431 HydrophobicContact CE2-CD1 4.32Å
184	G	89.8	Confident	74	Confident	7 Å²	7	56.7 Å²	56.7	7%	0.072	32%	0.324	C	S	.	.	S	Bend	trans	87.7	9.4	177	0	0	0	0	0	114.2	D181 N306 T307	D181-G184 PolarHBondContact O-N 3.09Å; D181-G184 PolarHBondContact OD1-N 2.99Å; G184-N306 CarbonylContact O-C 3.52Å; G184-N306 WeakPolarHBondContact O-CA 3.46Å; G184-T307 WeakPolarHBondContact CA-OG1 3.47Å; G184-T307 WeakPolarHBondContact O-CG2 3.12Å; G184-T307 PolarHBondContact O-N 3.29Å; G184-T307 PolarHBondContact O-OG1 3.01Å
185	F	89.5	Confident	74.3	Confident	18 Å²	18	55 Å²	55	8%	0.079	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-81.2	130.9	175.7	-63.5	-90	0	0	0	111.5	T180 D181 Q187 M303 N305 N306 L349 F427	T180-F185 CarbonylContact C-O 3.59Å; T180-F185 VanDerWaalsContact CA-O 3.28Å; T180-F185 WeakPolarHBondContact CA-O 3.41Å; D181-F185 PolarHBondContact N-O 3.04Å; D181-F185 PolarHBondContact OD1-N 3.37Å; D181-F185 WeakPolarHBondContact OD2-CB 3.36Å; F185-Q187 PolarHBondContact O-N 2.81Å; F185-M303 HydrophobicContact CD1-CE 4.49Å; F185-M303 HydrophobicContact CE1-CE 3.44Å; F185-M303 VanDerWaalsContact CE1-CE 3.44Å; F185-M303 HydrophobicContact CE1-CG 4.5Å; F185-M303 HydrophobicContact CE2-CE 4.17Å; F185-M303 HydrophobicContact CZ-CE 3.23Å; F185-M303 HydrophobicContact CZ-SD 4.49Å; F185-N305 CarbonylContact C-O 3.43Å; F185-N305 WeakPolarHBondContact CA-O 3.49Å; F185-N305 WeakPolarHBondContact CD1-OD1 3.4Å; F185-N306 HydrophobicContact CD1-CB 3.91Å; F185-N306 HydrophobicContact CE1-CB 4.03Å; F185-N306 HydrophobicContact CG-CB 4.5Å; F185-L349 HydrophobicContact CE2-CD1 4.45Å; F185-F427 HydrophobicContact CE2-CB 4.22Å; F185-F427 AromaticContact CE2-CD1 3.84Å; F185-F427 HydrophobicContact CE2-CD1 3.84Å; F185-F427 AromaticContact CE2-CD2 3.48Å; F185-F427 HydrophobicContact CE2-CD2 3.48Å; F185-F427 VanDerWaalsContact CE2-CD2 3.48Å; F185-F427 AromaticContact CE2-CE1 3.97Å; F185-F427 HydrophobicContact CE2-CE1 3.97Å; F185-F427 AromaticContact CE2-CE2 3.61Å; F185-F427 HydrophobicContact CE2-CE2 3.61Å; F185-F427 AromaticContact CE2-CG 3.58Å; F185-F427 HydrophobicContact CE2-CG 3.58Å; F185-F427 AromaticContact CE2-CZ 3.87Å; F185-F427 HydrophobicContact CE2-CZ 3.87Å; F185-F427 AromaticContact CZ-CD2 3.41Å; F185-F427 HydrophobicContact CZ-CD2 3.41Å; F185-F427 VanDerWaalsContact CZ-CD2 3.41Å; F185-F427 AromaticContact CZ-CE2 3.55Å; F185-F427 HydrophobicContact CZ-CE2 3.55Å; F185-F427 AromaticContact CZ-CG 3.97Å; F185-F427 HydrophobicContact CZ-CG 3.97Å; F185-F427 HydrophobicContact CZ-CZ 4.23Å
186	I	88.2	Confident	74.5	Confident	48 Å²	48	52.4 Å²	52.4	25%	0.246	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.9	173.9	-55.4	169.4	0	0	0	107.4	H179 N305 T307 V310	H179-I186 CarbonylContact O-C 3.59Å; I186-N305 WeakPolarHBondContact CB-O 3.29Å; I186-N305 WeakPolarHBondContact CG1-O 3.28Å; I186-N305 PolarHBondContact N-O 3.35Å; I186-T307 HydrophobicContact CD1-CG2 4.12Å; I186-T307 HydrophobicContact CG1-CG2 3.86Å; I186-V310 HydrophobicContact CD1-CG2 4.04Å
187	Q	81.4	Confident	74.8	Confident	38 Å²	38	49.5 Å²	49.5	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.2	177.8	-54.8	-64.4	-15.5	0	0	108.8	S178 H179 D181 F185 F189 Y198	S178-Q187 WeakPolarHBondContact CA-O 3.47Å; H179-Q187 PolarHBondContact N-O 3.47Å; H179-Q187 WeakPolarHBondContact O-CB 2.99Å; H179-Q187 PolarHBondContact O-N 3.43Å; D181-Q187 HydrophobicContact CB-CG 4.47Å; D181-Q187 PolarHBondContact OD2-NE2 3.46Å; F185-Q187 PolarHBondContact O-N 2.81Å; Q187-F189 HydrophobicContact CB-CE2 3.86Å; Q187-F189 HydrophobicContact CB-CZ 3.83Å; Q187-Y198 HydrophobicContact CG-CE1 4.29Å; Q187-Y198 HydrophobicContact CG-CE2 3.76Å
188	Q	75.4	Confident	75.3	Confident	117 Å²	117	46.8 Å²	46.8	55%	0.547	26%	0.255	S	S	.	.			trans	-140.7	123.2	176.7	-174.5	179	2.8	0	0	107.7	A175	A175-Q188 HydrophobicContact CB-CG 4.2Å; A175-Q188 VanDerWaalsContact CB-NE2 3.32Å
189	F	74	Confident	75.2	Confident	25 Å²	25	44 Å²	44	11%	0.11	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-109.2	146.7	-175.6	-56.2	-74.1	0	0	0	111.1	L173 A175 Q187 N191 E194 A195 Y198	L173-F189 HydrophobicContact CB-CD2 3.89Å; L173-F189 HydrophobicContact CB-CE2 4.29Å; L173-F189 WeakPolarHBondContact O-CD2 3.36Å; L173-F189 PolarHBondContact O-N 3.03Å; A175-F189 PolarHBondContact N-O 3.14Å; Q187-F189 HydrophobicContact CB-CE2 3.86Å; Q187-F189 HydrophobicContact CB-CZ 3.83Å; F189-N191 VanDerWaalsContact C-N 3.35Å; F189-E194 HydrophobicContact CB-CB 3.9Å; F189-E194 HydrophobicContact CD1-CB 3.77Å; F189-E194 HydrophobicContact CG-CB 4.12Å; F189-A195 HydrophobicContact CB-CB 4.11Å; F189-A195 HydrophobicContact CD2-CB 3.75Å; F189-A195 HydrophobicContact CG-CB 4.06Å; F189-Y198 HydrophobicContact CE1-CD2 4.42Å; F189-Y198 HydrophobicContact CE1-CG 4.09Å; F189-Y198 AromaticContact CE2-CD1 3.72Å; F189-Y198 HydrophobicContact CE2-CD1 3.72Å; F189-Y198 HydrophobicContact CE2-CE1 4.45Å; F189-Y198 AromaticContact CE2-CG 3.81Å; F189-Y198 HydrophobicContact CE2-CG 3.81Å; F189-Y198 AromaticContact CZ-CD1 3.62Å; F189-Y198 HydrophobicContact CZ-CD1 3.62Å; F189-Y198 AromaticContact CZ-CD2 3.68Å; F189-Y198 HydrophobicContact CZ-CD2 3.68Å; F189-Y198 HydrophobicContact CZ-CE1 4.4Å; F189-Y198 HydrophobicContact CZ-CE2 4.44Å; F189-Y198 AromaticContact CZ-CG 3.21Å; F189-Y198 HydrophobicContact CZ-CG 3.21Å
190	S	72	Confident	74.9	Confident	87 Å²	87	43.3 Å²	43.3	61%	0.608	23%	0.232	S	C	*	.	S	Bend	trans	-77.2	-28	-179.6	68	0	0	0	0	111.9	E194	S190-E194 PolarHBondContact N-OE2 2.8Å; S190-E194 PolarHBondContact OG-OE1 3.42Å; S190-E194 VanDerWaalsContact OG-OE1 3.13Å; S190-E194 PolarHBondContact OG-OE2 3.4Å
191	N	69.8	Low	74.2	Confident	59 Å²	59	41.4 Å²	41.4	32%	0.316	22%	0.221	S	C	.	.	S	Bend	trans	-146.1	165.8	-176.6	63	71.5	0	0	0	111.4	F189 S193 E194 A195	F189-N191 VanDerWaalsContact C-N 3.35Å; N191-S193 VanDerWaalsContact C-N 3.33Å; N191-S193 PolarHBondContact O-N 3.28Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.47Å; N191-S193 VanDerWaalsContact OD1-N 3.12Å; N191-E194 PolarHBondContact ND2-OE1 3.16Å; N191-E194 PolarHBondContact OD1-N 3.5Å; N191-A195 PolarHBondContact O-N 3.25Å
192	E	68.2	Low	73.6	Confident	71 Å²	71	41.2 Å²	41.2	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-66	-33.8	-177.7	-179.4	166.1	-155.1	0	0	113	W118 T170 V174 A195 I196	W118-E192 WeakPolarHBondContact CB-OE1 3.31Å; W118-E192 PolarHBondContact N-OE1 2.8Å; W118-E192 VanDerWaalsContact N-OE1 3.12Å; T170-E192 WeakPolarHBondContact CB-OE1 3.39Å; T170-E192 HydrophobicContact CG2-CG 3.72Å; T170-E192 PolarHBondContact OG1-OE1 2.98Å; V174-E192 HydrophobicContact CG2-CB 4.36Å; E192-A195 PolarHBondContact O-N 2.72Å; E192-I196 HydrophobicContact CG-CD1 3.87Å; E192-I196 HydrophobicContact CG-CG1 4.31Å; E192-I196 VanDerWaalsContact O-CG1 3.28Å; E192-I196 WeakPolarHBondContact O-CG1 3.33Å; E192-I196 PolarHBondContact O-N 3.26Å
193	S	64.4	Low	72.9	Confident	46 Å²	46	36.8 Å²	36.8	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-45.7	179.1	-54	0	0	0	0	111.6	N191 A195 I196 I197	N191-S193 VanDerWaalsContact C-N 3.33Å; N191-S193 PolarHBondContact O-N 3.28Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.47Å; N191-S193 VanDerWaalsContact OD1-N 3.12Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.09Å; S193-I196 PolarHBondContact O-N 3.22Å; S193-I197 WeakPolarHBondContact O-CD1 3.39Å; S193-I197 VanDerWaalsContact O-CG1 3.24Å; S193-I197 WeakPolarHBondContact O-CG1 3.49Å; S193-I197 PolarHBondContact O-N 3.36Å
194	E	64.5	Low	72	Confident	78 Å²	78	35.8 Å²	35.8	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-58.9	-43.2	173.8	-75.2	173.4	-175.9	0	0	112.1	F189 S190 N191 I196 I197 Y198	F189-E194 HydrophobicContact CB-CB 3.9Å; F189-E194 HydrophobicContact CD1-CB 3.77Å; F189-E194 HydrophobicContact CG-CB 4.12Å; S190-E194 PolarHBondContact N-OE2 2.8Å; S190-E194 PolarHBondContact OG-OE1 3.42Å; S190-E194 VanDerWaalsContact OG-OE1 3.13Å; S190-E194 PolarHBondContact OG-OE2 3.4Å; N191-E194 PolarHBondContact ND2-OE1 3.16Å; N191-E194 PolarHBondContact OD1-N 3.5Å; E194-I196 PolarHBondContact O-N 2.98Å; E194-I197 PolarHBondContact O-N 3.18Å; E194-Y198 PolarHBondContact O-N 3.25Å
195	A	65.8	Low	71	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-39.1	177	0	0	0	0	0	112.5	L173 V174 F189 N191 E192 S193 M199	L173-A195 HydrophobicContact CB-CB 3.71Å; L173-A195 HydrophobicContact CD1-CB 4.18Å; V174-A195 HydrophobicContact CG2-CB 4.27Å; F189-A195 HydrophobicContact CB-CB 4.11Å; F189-A195 HydrophobicContact CD2-CB 3.75Å; F189-A195 HydrophobicContact CG-CB 4.06Å; N191-A195 PolarHBondContact O-N 3.25Å; E192-A195 PolarHBondContact O-N 2.72Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.09Å; A195-M199 WeakPolarHBondContact O-CB 3.41Å; A195-M199 WeakPolarHBondContact O-CE 3.42Å; A195-M199 WeakPolarHBondContact O-CG 3.24Å; A195-M199 PolarHBondContact O-N 2.9Å
196	I	64.4	Low	70.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-45.8	175.8	-68.8	168.8	0	0	0	110.6	Y109 L115 W118 F121 T170 E192 S193 E194 Y198 M199 A200	Y109-I196 HydrophobicContact CE1-CG2 4.49Å; Y109-I196 WeakPolarHBondContact OH-CG2 3.23Å; Y109-I196 PolarHBondContact OH-O 3.27Å; L115-I196 HydrophobicContact CD2-CG2 4.31Å; W118-I196 HydrophobicContact CE3-CG1 4.28Å; F121-I196 HydrophobicContact CB-CD1 4.48Å; F121-I196 HydrophobicContact CB-CG2 4.16Å; F121-I196 HydrophobicContact CD1-CG2 4.38Å; F121-I196 HydrophobicContact CD2-CG2 3.89Å; F121-I196 HydrophobicContact CE2-CG2 4.35Å; F121-I196 HydrophobicContact CG-CG2 3.88Å; T170-I196 HydrophobicContact CG2-CD1 4.1Å; T170-I196 HydrophobicContact CG2-CG1 3.47Å; T170-I196 VanDerWaalsContact CG2-CG1 3.47Å; E192-I196 HydrophobicContact CG-CD1 3.87Å; E192-I196 HydrophobicContact CG-CG1 4.31Å; E192-I196 VanDerWaalsContact O-CG1 3.28Å; E192-I196 WeakPolarHBondContact O-CG1 3.33Å; E192-I196 PolarHBondContact O-N 3.26Å; S193-I196 PolarHBondContact O-N 3.22Å; E194-I196 PolarHBondContact O-N 2.98Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 PolarHBondContact O-N 3.43Å; I196-M199 HydrophobicContact CG1-CE 4.38Å; I196-M199 PolarHBondContact O-N 3.05Å; I196-A200 WeakPolarHBondContact O-CB 3.35Å; I196-A200 PolarHBondContact O-N 3.47Å
197	I	64.5	Low	69.2	Low	61 Å²	61	36.2 Å²	36.2	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-54	-52.2	175.7	-69	160.1	0	0	0	110	Y109 L115 S193 E194 A200 S201	Y109-I197 HydrophobicContact CD1-CB 4.33Å; Y109-I197 HydrophobicContact CD1-CD1 4.21Å; Y109-I197 HydrophobicContact CD1-CG1 3.33Å; Y109-I197 HydrophobicContact CE1-CB 3.96Å; Y109-I197 HydrophobicContact CE1-CD1 4.43Å; Y109-I197 HydrophobicContact CE1-CG1 3.21Å; Y109-I197 HydrophobicContact CG-CG1 4.41Å; L115-I197 HydrophobicContact CD1-CG1 4.19Å; S193-I197 WeakPolarHBondContact O-CD1 3.39Å; S193-I197 VanDerWaalsContact O-CG1 3.24Å; S193-I197 WeakPolarHBondContact O-CG1 3.49Å; S193-I197 PolarHBondContact O-N 3.36Å; E194-I197 PolarHBondContact O-N 3.18Å; I197-A200 PolarHBondContact O-N 3.18Å; I197-S201 PolarHBondContact O-N 2.89Å; I197-S201 PolarHBondContact O-OG 3.38Å
198	Y	70.4	Confident	68.6	Low	35 Å²	35	36.4 Å²	36.4	14%	0.137	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-53	178.7	170.1	-99.2	0	0	0	111.5	H179 D181 Q187 F189 E194 I196 A200 S201 T202	H179-Y198 AromaticContact CD2-CE1 3.72Å; H179-Y198 AromaticContact CD2-CZ 3.96Å; H179-Y198 PolarHBondContact CD2-OH 2.85Å; H179-Y198 PolarHBondContact NE2-OH 3.47Å; D181-Y198 VanDerWaalsContact CB-OH 3.29Å; D181-Y198 WeakPolarHBondContact CB-OH 3.35Å; Q187-Y198 HydrophobicContact CG-CE1 4.29Å; Q187-Y198 HydrophobicContact CG-CE2 3.76Å; F189-Y198 HydrophobicContact CE1-CD2 4.42Å; F189-Y198 HydrophobicContact CE1-CG 4.09Å; F189-Y198 AromaticContact CE2-CD1 3.72Å; F189-Y198 HydrophobicContact CE2-CD1 3.72Å; F189-Y198 HydrophobicContact CE2-CE1 4.45Å; F189-Y198 AromaticContact CE2-CG 3.81Å; F189-Y198 HydrophobicContact CE2-CG 3.81Å; F189-Y198 AromaticContact CZ-CD1 3.62Å; F189-Y198 HydrophobicContact CZ-CD1 3.62Å; F189-Y198 AromaticContact CZ-CD2 3.68Å; F189-Y198 HydrophobicContact CZ-CD2 3.68Å; F189-Y198 HydrophobicContact CZ-CE1 4.4Å; F189-Y198 HydrophobicContact CZ-CE2 4.44Å; F189-Y198 AromaticContact CZ-CG 3.21Å; F189-Y198 HydrophobicContact CZ-CG 3.21Å; E194-Y198 PolarHBondContact O-N 3.25Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 PolarHBondContact O-N 3.43Å; Y198-A200 VanDerWaalsContact C-N 3.29Å; Y198-A200 PolarHBondContact O-N 3Å; Y198-S201 PolarHBondContact O-N 3.43Å; Y198-S201 VanDerWaalsContact O-N 3.14Å; Y198-T202 PolarHBondContact O-N 2.77Å; Y198-T202 PolarHBondContact O-OG1 3.25Å
199	M	67.5	Low	68.4	Low	6 Å²	6	35 Å²	35	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-40.5	-179.3	-80.2	-172.5	-69.7	0	0	112.8	W118 T170 L173 A195 I196 T202 L203	W118-M199 HydrophobicContact CE3-CE 3.88Å; W118-M199 HydrophobicContact CH2-CE 3.94Å; W118-M199 HydrophobicContact CH2-SD 3.88Å; W118-M199 HydrophobicContact CZ3-CE 3.24Å; W118-M199 HydrophobicContact CZ3-SD 3.79Å; T170-M199 HydrophobicContact CG2-CE 3.38Å; L173-M199 HydrophobicContact CD1-CE 3.73Å; L173-M199 HydrophobicContact CD1-CG 3.38Å; L173-M199 HydrophobicContact CD1-SD 3.41Å; L173-M199 WeakPolarHBondContact CD1-SD 3.14Å; A195-M199 WeakPolarHBondContact O-CB 3.41Å; A195-M199 WeakPolarHBondContact O-CE 3.42Å; A195-M199 WeakPolarHBondContact O-CG 3.24Å; A195-M199 PolarHBondContact O-N 2.9Å; I196-M199 HydrophobicContact CG1-CE 4.38Å; I196-M199 PolarHBondContact O-N 3.05Å; M199-T202 PolarHBondContact O-N 3.05Å; M199-L203 VanDerWaalsContact O-CB 3.24Å; M199-L203 WeakPolarHBondContact O-CB 3.47Å; M199-L203 PolarHBondContact O-N 3.42Å
200	A	66.5	Low	68.2	Low	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-47.6	176.5	0	0	0	0	0	110.7	F101 Q105 Y109 F121 I196 I197 Y198 T202 L203 E204	F101-A200 HydrophobicContact CE1-CB 4.15Å; F101-A200 VanDerWaalsContact CE1-O 3.28Å; F101-A200 WeakPolarHBondContact CE1-O 3.47Å; F101-A200 HydrophobicContact CZ-CB 3.73Å; Q105-A200 VanDerWaalsContact NE2-CB 3.29Å; Y109-A200 HydrophobicContact CE2-CB 3.95Å; Y109-A200 WeakPolarHBondContact OH-CB 3.4Å; F121-A200 HydrophobicContact CE2-CB 4.14Å; F121-A200 HydrophobicContact CZ-CB 4.18Å; I196-A200 WeakPolarHBondContact O-CB 3.35Å; I196-A200 PolarHBondContact O-N 3.47Å; I197-A200 PolarHBondContact O-N 3.18Å; Y198-A200 VanDerWaalsContact C-N 3.29Å; Y198-A200 PolarHBondContact O-N 3Å; A200-T202 PolarHBondContact O-N 2.88Å; A200-L203 PolarHBondContact O-N 3.45Å; A200-E204 PolarHBondContact O-N 3.43Å
201	S	68.4	Low	68.1	Low	22 Å²	22	32.7 Å²	32.7	15%	0.154	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-41.5	175.9	-68.6	0	0	0	0	113	I197 Y198 E204 Q205 N481	I197-S201 PolarHBondContact O-N 2.89Å; I197-S201 PolarHBondContact O-OG 3.38Å; Y198-S201 PolarHBondContact O-N 3.43Å; Y198-S201 VanDerWaalsContact O-N 3.14Å; S201-E204 PolarHBondContact O-N 3.2Å; S201-Q205 WeakPolarHBondContact O-CB 3.27Å; S201-Q205 PolarHBondContact O-N 2.99Å; S201-N481 PolarHBondContact OG-ND2 3.36Å
202	T	69.9	Low	68.4	Low	18 Å²	18	32.5 Å²	32.5	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-37.7	176.8	-38.4	0	0	0	0	111.6	F160 Y198 M199 A200 Q205 H206	F160-T202 HydrophobicContact CE2-CG2 3.49Å; F160-T202 VanDerWaalsContact CE2-CG2 3.49Å; F160-T202 HydrophobicContact CZ-CG2 3.77Å; Y198-T202 PolarHBondContact O-N 2.77Å; Y198-T202 PolarHBondContact O-OG1 3.25Å; M199-T202 PolarHBondContact O-N 3.05Å; A200-T202 PolarHBondContact O-N 2.88Å; T202-Q205 PolarHBondContact O-N 3.47Å; T202-H206 WeakPolarHBondContact O-CB 3.46Å; T202-H206 PolarHBondContact O-N 2.99Å
203	L	68.9	Low	68.9	Low	4 Å²	4	32 Å²	32	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-44.3	175.1	-178.6	64.2	0	0	0	111.4	F101 T156 F157 F160 M199 A200 Q205 H206 M207	F101-L203 HydrophobicContact CE2-CD2 4.46Å; F101-L203 HydrophobicContact CZ-CD2 4.19Å; T156-L203 HydrophobicContact CG2-CD1 4.48Å; F157-L203 HydrophobicContact CD2-CD2 4.36Å; F160-L203 HydrophobicContact CB-CD1 4.31Å; F160-L203 HydrophobicContact CG-CD1 4.26Å; M199-L203 VanDerWaalsContact O-CB 3.24Å; M199-L203 WeakPolarHBondContact O-CB 3.47Å; M199-L203 PolarHBondContact O-N 3.42Å; A200-L203 PolarHBondContact O-N 3.45Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 3.34Å; L203-H206 WeakPolarHBondContact O-CB 3.41Å; L203-H206 PolarHBondContact O-N 3.32Å; L203-M207 HydrophobicContact CD1-CG 4.41Å; L203-M207 HydrophobicContact CD1-SD 4.48Å; L203-M207 HydrophobicContact CG-CG 4.49Å; L203-M207 HydrophobicContact CG-SD 4.12Å; L203-M207 WeakPolarHBondContact O-CB 3.28Å; L203-M207 VanDerWaalsContact O-CG 3.29Å; L203-M207 WeakPolarHBondContact O-CG 3.42Å; L203-M207 PolarHBondContact O-N 2.79Å
204	E	68.6	Low	69.9	Low	12 Å²	12	36.2 Å²	36.2	6%	0.056	18%	0.18	C	C	.	.	H	α-helix	trans	-57	-48.4	174.9	-167.6	-159.7	172.1	0	0	110.4	F101 Q105 A200 S201 H206 M207 K208	F101-E204 HydrophobicContact CD1-CB 3.88Å; F101-E204 HydrophobicContact CD1-CG 4.12Å; F101-E204 HydrophobicContact CE1-CB 3.93Å; Q105-E204 VanDerWaalsContact OE1-CD 3.29Å; Q105-E204 PolarHBondContact OE1-OE2 2.96Å; A200-E204 PolarHBondContact O-N 3.43Å; S201-E204 PolarHBondContact O-N 3.2Å; E204-H206 VanDerWaalsContact C-N 3.32Å; E204-H206 PolarHBondContact O-N 3.04Å; E204-M207 PolarHBondContact O-N 3.09Å; E204-K208 WeakPolarHBondContact O-CG 3.29Å; E204-K208 PolarHBondContact O-N 3.2Å; E204-K208 WeakPolarHBondContact OE1-CE 3.5Å; E204-K208 IonicContact OE1-NZ 3.42Å; E204-K208 PolarHBondContact OE1-NZ 3.29Å
205	Q	69.9	Low	71	Confident	51 Å²	51	32.7 Å²	32.7	24%	0.238	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-43.3	176.8	-172.7	-176.3	-31	0	0	111.3	S201 T202 L203 M207 K208 E209	S201-Q205 WeakPolarHBondContact O-CB 3.27Å; S201-Q205 PolarHBondContact O-N 2.99Å; T202-Q205 PolarHBondContact O-N 3.47Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 3.34Å; Q205-M207 PolarHBondContact O-N 3.33Å; Q205-K208 WeakPolarHBondContact O-CB 3.04Å; Q205-K208 PolarHBondContact O-N 2.99Å; Q205-E209 PolarHBondContact NE2-OE1 3.13Å; Q205-E209 WeakPolarHBondContact O-CG 3.43Å; Q205-E209 PolarHBondContact O-N 3.28Å
206	H	70.6	Confident	72	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-43.6	177.2	-167.7	61.3	0	0	0	112.2	F160 K163 T202 L203 E204 K208 E209 L210	F160-H206 HydrophobicContact CD2-CB 4.1Å; K163-H206 PolarHBondContact NZ-CE1 3.44Å; T202-H206 WeakPolarHBondContact O-CB 3.46Å; T202-H206 PolarHBondContact O-N 2.99Å; L203-H206 WeakPolarHBondContact O-CB 3.41Å; L203-H206 PolarHBondContact O-N 3.32Å; E204-H206 VanDerWaalsContact C-N 3.32Å; E204-H206 PolarHBondContact O-N 3.04Å; H206-K208 VanDerWaalsContact C-N 3.35Å; H206-E209 PolarHBondContact O-N 3.36Å; H206-L210 WeakPolarHBondContact O-CG 3.45Å; H206-L210 PolarHBondContact O-N 3.39Å
207	M	68.1	Low	73.3	Confident	19 Å²	19	38.7 Å²	38.7	9%	0.094	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-39	176.8	-70.1	175.9	64.2	0	0	111.7	C97 V98 L153 T156 L203 E204 Q205 L210 S211	C97-M207 HydrophobicContact CB-CE 3.58Å; V98-M207 HydrophobicContact CG2-CB 3.68Å; V98-M207 HydrophobicContact CG2-CE 4.39Å; L153-M207 HydrophobicContact CD1-CE 4.49Å; T156-M207 HydrophobicContact CG2-CG 4.18Å; L203-M207 HydrophobicContact CD1-CG 4.41Å; L203-M207 HydrophobicContact CD1-SD 4.48Å; L203-M207 HydrophobicContact CG-CG 4.49Å; L203-M207 HydrophobicContact CG-SD 4.12Å; L203-M207 WeakPolarHBondContact O-CB 3.28Å; L203-M207 VanDerWaalsContact O-CG 3.29Å; L203-M207 WeakPolarHBondContact O-CG 3.42Å; L203-M207 PolarHBondContact O-N 2.79Å; E204-M207 PolarHBondContact O-N 3.09Å; Q205-M207 PolarHBondContact O-N 3.33Å; M207-L210 PolarHBondContact O-N 2.9Å; M207-S211 WeakPolarHBondContact O-CB 3.29Å; M207-S211 PolarHBondContact O-N 3.03Å; M207-S211 PolarHBondContact O-OG 3.41Å
208	K	69.9	Low	74.6	Confident	41 Å²	41	40.9 Å²	40.9	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-42.9	172.5	-75.8	176.2	-178.2	-179.2	0	112.1	V98 E204 Q205 H206 L210 S211 N212 N482 D484	V98-K208 HydrophobicContact CG1-CD 4.28Å; V98-K208 HydrophobicContact CG1-CG 3.55Å; V98-K208 HydrophobicContact CG2-CG 4.31Å; E204-K208 WeakPolarHBondContact O-CG 3.29Å; E204-K208 PolarHBondContact O-N 3.2Å; E204-K208 WeakPolarHBondContact OE1-CE 3.5Å; E204-K208 IonicContact OE1-NZ 3.42Å; E204-K208 PolarHBondContact OE1-NZ 3.29Å; Q205-K208 WeakPolarHBondContact O-CB 3.04Å; Q205-K208 PolarHBondContact O-N 2.99Å; H206-K208 VanDerWaalsContact C-N 3.35Å; K208-L210 VanDerWaalsContact C-N 3.32Å; K208-L210 PolarHBondContact O-N 2.97Å; K208-S211 PolarHBondContact O-N 3.03Å; K208-S211 PolarHBondContact O-OG 2.85Å; K208-N212 VanDerWaalsContact O-CB 3.28Å; K208-N212 WeakPolarHBondContact O-CB 3.5Å; K208-N212 PolarHBondContact O-N 3.21Å; K208-N482 PolarHBondContact NZ-OD1 3.07Å; K208-D484 WeakPolarHBondContact CD-OD2 3.33Å; K208-D484 WeakPolarHBondContact CE-OD2 3.35Å; K208-D484 IonicContact NZ-OD2 3.68Å; K208-D484 PolarHBondContact NZ-OD2 3.04Å
209	E	70.9	Confident	75.6	Confident	89 Å²	89	39.2 Å²	39.2	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-38.3	175.7	-72.7	176.9	-172	0	0	112.1	Q205 H206	Q205-E209 PolarHBondContact NE2-OE1 3.13Å; Q205-E209 WeakPolarHBondContact O-CG 3.43Å; Q205-E209 PolarHBondContact O-N 3.28Å; H206-E209 PolarHBondContact O-N 3.36Å
210	L	68.8	Low	76.7	Confident	43 Å²	43	44.3 Å²	44.3	23%	0.225	22%	0.219	C	C	.	.	H	α-helix	trans	-73	-30.9	177	-71.4	175.6	0	0	0	113.5	R94 T156 H206 M207 K208 V213	R94-L210 PolarHBondContact NH1-O 3.03Å; T156-L210 HydrophobicContact CG2-CD1 3.84Å; H206-L210 WeakPolarHBondContact O-CG 3.45Å; H206-L210 PolarHBondContact O-N 3.39Å; M207-L210 PolarHBondContact O-N 2.9Å; K208-L210 VanDerWaalsContact C-N 3.32Å; K208-L210 PolarHBondContact O-N 2.97Å; L210-V213 VanDerWaalsContact O-CG2 3.32Å; L210-V213 WeakPolarHBondContact O-CG2 3.39Å
211	S	69.5	Low	77.8	Confident	19 Å²	19	47.1 Å²	47.1	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-75.6	-31.2	175.3	70.1	0	0	0	0	111.5	M207 K208 V213	M207-S211 WeakPolarHBondContact O-CB 3.29Å; M207-S211 PolarHBondContact O-N 3.03Å; M207-S211 PolarHBondContact O-OG 3.41Å; K208-S211 PolarHBondContact O-N 3.03Å; K208-S211 PolarHBondContact O-OG 2.85Å; S211-V213 PolarHBondContact O-N 2.9Å
212	N	76.6	Confident	78.7	Confident	56 Å²	56	47.2 Å²	47.2	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	39	-173.3	-151.6	0.9	0	0	0	114.8	K208 K214 N215 V216	K208-N212 VanDerWaalsContact O-CB 3.28Å; K208-N212 WeakPolarHBondContact O-CB 3.5Å; K208-N212 PolarHBondContact O-N 3.21Å; N212-K214 VanDerWaalsContact C-N 3.26Å; N212-K214 PolarHBondContact O-N 3.31Å; N212-N215 HydrophobicContact CB-CB 4.45Å; N212-N215 WeakPolarHBondContact ND2-CB 3.49Å; N212-N215 PolarHBondContact ND2-ND2 3.35Å; N212-N215 PolarHBondContact O-N 2.91Å; N212-N215 WeakPolarHBondContact OD1-CB 3.38Å; N212-N215 PolarHBondContact OD1-N 3.48Å; N212-V216 PolarHBondContact O-N 3.49Å
213	V	79.4	Confident	79.5	Confident	60 Å²	60	47 Å²	47	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-39.7	179.1	-176.9	0	0	0	0	111.1	L210 S211 N215 V216 V217	L210-V213 VanDerWaalsContact O-CG2 3.32Å; L210-V213 WeakPolarHBondContact O-CG2 3.39Å; S211-V213 PolarHBondContact O-N 2.9Å; V213-N215 PolarHBondContact O-N 3.5Å; V213-V216 PolarHBondContact O-N 3.24Å; V213-V217 HydrophobicContact CG1-CG2 4.45Å; V213-V217 WeakPolarHBondContact O-CG2 3.42Å; V213-V217 PolarHBondContact O-N 3.24Å
214	K	85	Confident	80.3	Confident	134 Å²	134	52.8 Å²	52.8	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-58.6	-45.3	178.7	-70.2	-178.2	179.6	175.3	0	111.8	N212 V217 R218	N212-K214 VanDerWaalsContact C-N 3.26Å; N212-K214 PolarHBondContact O-N 3.31Å; K214-V217 PolarHBondContact O-N 3.21Å; K214-R218 WeakPolarHBondContact O-CG 3.37Å; K214-R218 PolarHBondContact O-N 3.08Å
215	N	87.8	Confident	80.8	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-39.5	177.5	-173.7	33.9	0	0	0	111.6	N212 V213 V217 R218 W219 L240 G244	N212-N215 HydrophobicContact CB-CB 4.45Å; N212-N215 WeakPolarHBondContact ND2-CB 3.49Å; N212-N215 PolarHBondContact ND2-ND2 3.35Å; N212-N215 PolarHBondContact O-N 2.91Å; N212-N215 WeakPolarHBondContact OD1-CB 3.38Å; N212-N215 PolarHBondContact OD1-N 3.48Å; V213-N215 PolarHBondContact O-N 3.5Å; N215-V217 VanDerWaalsContact C-N 3.31Å; N215-V217 PolarHBondContact O-N 3.44Å; N215-R218 PolarHBondContact O-N 2.84Å; N215-W219 VanDerWaalsContact O-CD1 3.28Å; N215-W219 PolarHBondContact O-N 3.35Å; N215-W219 PolarHBondContact OD1-NE1 3.03Å; N215-L240 VanDerWaalsContact OD1-CD1 3.31Å; N215-L240 WeakPolarHBondContact OD1-CD1 3.41Å; N215-G244 PolarHBondContact ND2-O 3.36Å
216	V	87.6	Confident	80.8	Confident	37 Å²	37	54.8 Å²	54.8	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-41.7	174.4	175.8	0	0	0	0	111.8	N212 V213 K220 P246 K248 Y249	N212-V216 PolarHBondContact O-N 3.49Å; V213-V216 PolarHBondContact O-N 3.24Å; V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 PolarHBondContact O-N 2.99Å; V216-P246 HydrophobicContact CG2-CB 4.23Å; V216-P246 HydrophobicContact CG2-CG 3.91Å; V216-K248 VanDerWaalsContact CG1-NZ 3.32Å; V216-Y249 HydrophobicContact CG1-CE2 4.18Å
217	V	90.4	Very high	80.5	Confident	89 Å²	89	58.2 Å²	58.2	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-44.1	175.9	173.7	0	0	0	0	111.1	V213 K214 N215 K220 A221	V213-V217 HydrophobicContact CG1-CG2 4.45Å; V213-V217 WeakPolarHBondContact O-CG2 3.42Å; V213-V217 PolarHBondContact O-N 3.24Å; K214-V217 PolarHBondContact O-N 3.21Å; N215-V217 VanDerWaalsContact C-N 3.31Å; N215-V217 PolarHBondContact O-N 3.44Å; V217-K220 WeakPolarHBondContact O-CB 3.36Å; V217-K220 PolarHBondContact O-N 3.48Å; V217-A221 PolarHBondContact O-N 3.33Å
218	R	92	Very high	80.2	Confident	106 Å²	106	66.2 Å²	66.2	40%	0.4	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-45.3	176.8	-72.9	169.6	64.1	-165.2	-2.7	112.3	K214 N215 K220 A221 W222 L240 E243	K214-R218 WeakPolarHBondContact O-CG 3.37Å; K214-R218 PolarHBondContact O-N 3.08Å; N215-R218 PolarHBondContact O-N 2.84Å; R218-K220 VanDerWaalsContact C-N 3.35Å; R218-K220 PolarHBondContact O-N 2.87Å; R218-A221 PolarHBondContact O-N 3.28Å; R218-W222 WeakPolarHBondContact O-CB 3.2Å; R218-W222 PolarHBondContact O-N 3.29Å; R218-L240 HydrophobicContact CB-CD1 3.66Å; R218-E243 IonicContact CZ-OE1 3.78Å; R218-E243 IonicContact CZ-OE2 3.19Å; R218-E243 IonicContact NH1-OE1 2.83Å; R218-E243 PolarHBondContact NH1-OE1 3.37Å; R218-E243 IonicContact NH1-OE2 2.72Å; R218-E243 PolarHBondContact NH1-OE2 2.88Å; R218-E243 IonicContact NH2-OE1 2.81Å; R218-E243 PolarHBondContact NH2-OE1 2.92Å; R218-E243 VanDerWaalsContact NH2-OE1 3.1Å; R218-E243 IonicContact NH2-OE2 2.73Å
219	W	92.4	Very high	80	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-41.5	174	-86.5	104.9	0	0	0	112.6	N215 W222 L223 L237 L240 V241 G244 I245 P246 Y249 V253	N215-W219 VanDerWaalsContact O-CD1 3.28Å; N215-W219 PolarHBondContact O-N 3.35Å; N215-W219 PolarHBondContact OD1-NE1 3.03Å; W219-W222 HydrophobicContact CE3-CD2 4.48Å; W219-W222 AromaticContact CE3-CE3 3.78Å; W219-W222 HydrophobicContact CE3-CE3 3.78Å; W219-W222 HydrophobicContact CE3-CZ3 4.32Å; W219-W222 HydrophobicContact CZ3-CD2 4.21Å; W219-W222 AromaticContact CZ3-CE3 3.55Å; W219-W222 HydrophobicContact CZ3-CE3 3.55Å; W219-W222 AromaticContact CZ3-CZ3 3.75Å; W219-W222 HydrophobicContact CZ3-CZ3 3.75Å; W219-W222 PolarHBondContact O-N 3.16Å; W219-L223 WeakPolarHBondContact O-CB 3.46Å; W219-L223 VanDerWaalsContact O-CG 3.29Å; W219-L223 WeakPolarHBondContact O-CG 3.37Å; W219-L223 PolarHBondContact O-N 3.44Å; W219-L237 HydrophobicContact CH2-CD1 3.99Å; W219-L237 HydrophobicContact CZ3-CD1 4.28Å; W219-L240 HydrophobicContact CD2-CD2 3.72Å; W219-L240 HydrophobicContact CD2-CG 3.98Å; W219-L240 VanDerWaalsContact CE2-CG 3.49Å; W219-L240 HydrophobicContact CE3-CD2 3.9Å; W219-L240 HydrophobicContact CG-CD2 4.19Å; W219-L240 HydrophobicContact CG-CG 4.35Å; W219-L240 HydrophobicContact CH2-CD2 4.1Å; W219-L240 HydrophobicContact CH2-CG 4.26Å; W219-L240 HydrophobicContact CZ2-CB 4.23Å; W219-L240 HydrophobicContact CZ2-CD2 3.92Å; W219-L240 HydrophobicContact CZ2-CG 3.63Å; W219-L240 HydrophobicContact CZ3-CD2 4.09Å; W219-V241 HydrophobicContact CH2-CG2 3.61Å; W219-V241 HydrophobicContact CZ2-CG2 3.89Å; W219-G244 PolarHBondContact NE1-O 2.92Å; W219-I245 HydrophobicContact CH2-CD1 4.18Å; W219-I245 HydrophobicContact CH2-CG1 3.82Å; W219-I245 HydrophobicContact CZ2-CB 4.28Å; W219-I245 HydrophobicContact CZ2-CD1 4.36Å; W219-I245 HydrophobicContact CZ2-CG1 3.52Å; W219-I245 HydrophobicContact CZ2-CG2 4.49Å; W219-P246 HydrophobicContact CB-CG 4.35Å; W219-P246 HydrophobicContact CG-CG 4.13Å; W219-Y249 HydrophobicContact CB-CD2 3.68Å; W219-Y249 HydrophobicContact CB-CE2 3.96Å; W219-Y249 HydrophobicContact CG-CD2 4.44Å; W219-V253 HydrophobicContact CE3-CG2 3.93Å; W219-V253 HydrophobicContact CH2-CG1 4.22Å; W219-V253 HydrophobicContact CH2-CG2 4.36Å; W219-V253 HydrophobicContact CZ3-CB 4.49Å; W219-V253 HydrophobicContact CZ3-CG1 4.05Å; W219-V253 HydrophobicContact CZ3-CG2 3.57Å
220	K	90.3	Very high	79.9	Confident	113 Å²	113	67.2 Å²	67.2	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-58.9	-51.2	174	-171.4	-178.2	177.2	-173.7	0	109.9	V216 V217 R218 W222 L223 H224	V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 PolarHBondContact O-N 2.99Å; V217-K220 WeakPolarHBondContact O-CB 3.36Å; V217-K220 PolarHBondContact O-N 3.48Å; R218-K220 VanDerWaalsContact C-N 3.35Å; R218-K220 PolarHBondContact O-N 2.87Å; K220-W222 PolarHBondContact O-N 3.24Å; K220-L223 PolarHBondContact O-N 3.45Å; K220-H224 PolarHBondContact O-N 3.34Å; K220-H224 VanDerWaalsContact O-N 3.16Å; K220-H224 PolarHBondContact O-ND1 3.33Å
221	A	89.4	Confident	80.4	Confident	59 Å²	59	65.6 Å²	65.6	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-48.5	179.4	0	0	0	0	0	112	V217 R218 L223 H224 S225	V217-A221 PolarHBondContact O-N 3.33Å; R218-A221 PolarHBondContact O-N 3.28Å; A221-L223 PolarHBondContact O-N 2.92Å; A221-H224 PolarHBondContact O-N 3.48Å; A221-S225 PolarHBondContact O-N 3.5Å; A221-S225 VanDerWaalsContact O-N 3.08Å
222	W	87.9	Confident	80.9	Confident	24 Å²	24	68.9 Å²	68.9	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-59	-43.4	178.6	-177.1	80.4	0	0	0	112.6	R218 W219 K220 H224 S225 D226 I231 L237 L240 V253	R218-W222 WeakPolarHBondContact O-CB 3.2Å; R218-W222 PolarHBondContact O-N 3.29Å; W219-W222 HydrophobicContact CE3-CD2 4.48Å; W219-W222 AromaticContact CE3-CE3 3.78Å; W219-W222 HydrophobicContact CE3-CE3 3.78Å; W219-W222 HydrophobicContact CE3-CZ3 4.32Å; W219-W222 HydrophobicContact CZ3-CD2 4.21Å; W219-W222 AromaticContact CZ3-CE3 3.55Å; W219-W222 HydrophobicContact CZ3-CE3 3.55Å; W219-W222 AromaticContact CZ3-CZ3 3.75Å; W219-W222 HydrophobicContact CZ3-CZ3 3.75Å; W219-W222 PolarHBondContact O-N 3.16Å; K220-W222 PolarHBondContact O-N 3.24Å; W222-H224 PolarHBondContact O-N 3.32Å; W222-S225 PolarHBondContact O-N 3.32Å; W222-S225 PolarHBondContact O-OG 3.41Å; W222-D226 VanDerWaalsContact CD1-OD2 3.24Å; W222-D226 HydrophobicContact CD2-CB 4.46Å; W222-D226 HydrophobicContact CZ2-CB 4.07Å; W222-D226 PolarHBondContact NE1-OD2 3.29Å; W222-D226 PolarHBondContact O-N 3.17Å; W222-I231 HydrophobicContact CH2-CD1 3.63Å; W222-I231 HydrophobicContact CH2-CG1 3.69Å; W222-I231 HydrophobicContact CH2-CG2 4.32Å; W222-I231 HydrophobicContact CZ2-CD1 4.41Å; W222-I231 HydrophobicContact CZ2-CG1 4.08Å; W222-I231 HydrophobicContact CZ2-CG2 4.15Å; W222-L237 HydrophobicContact CD2-CD1 4.07Å; W222-L237 HydrophobicContact CH2-CD1 4.14Å; W222-L237 HydrophobicContact CH2-CD2 4.4Å; W222-L237 HydrophobicContact CZ2-CD1 3.57Å; W222-L237 HydrophobicContact CZ2-CD2 3.66Å; W222-L237 HydrophobicContact CZ2-CG 4.22Å; W222-L240 HydrophobicContact CB-CD2 3.99Å; W222-L240 HydrophobicContact CG-CD2 4.05Å; W222-V253 HydrophobicContact CZ3-CG2 4.25Å
223	L	86	Confident	81.3	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-25.9	175.1	-73.7	168.9	0	0	0	112.7	W219 K220 A221 I227 Y249 V253	W219-L223 WeakPolarHBondContact O-CB 3.46Å; W219-L223 VanDerWaalsContact O-CG 3.29Å; W219-L223 WeakPolarHBondContact O-CG 3.37Å; W219-L223 PolarHBondContact O-N 3.44Å; K220-L223 PolarHBondContact O-N 3.45Å; A221-L223 PolarHBondContact O-N 2.92Å; L223-I227 HydrophobicContact CB-CD1 3.92Å; L223-I227 HydrophobicContact CB-CG1 4.42Å; L223-I227 HydrophobicContact CD2-CD1 3.71Å; L223-I227 HydrophobicContact CD2-CG1 4.09Å; L223-I227 HydrophobicContact CG-CD1 4.4Å; L223-I227 WeakPolarHBondContact O-CB 3.31Å; L223-I227 WeakPolarHBondContact O-CD1 3.47Å; L223-I227 WeakPolarHBondContact O-CG1 3.3Å; L223-Y249 HydrophobicContact CD1-CD1 3.36Å; L223-Y249 HydrophobicContact CD1-CD2 4.23Å; L223-Y249 HydrophobicContact CD1-CE1 3.91Å; L223-Y249 HydrophobicContact CD1-CG 3.57Å; L223-V253 HydrophobicContact CD2-CG2 3.96Å
224	H	84.3	Confident	81.7	Confident	124 Å²	124	68 Å²	68	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-82.6	-31.5	176.9	-70.9	68.6	0	0	0	112.4	K220 A221 W222	K220-H224 PolarHBondContact O-N 3.34Å; K220-H224 VanDerWaalsContact O-N 3.16Å; K220-H224 PolarHBondContact O-ND1 3.33Å; A221-H224 PolarHBondContact O-N 3.48Å; W222-H224 PolarHBondContact O-N 3.32Å
225	S	80.4	Confident	81.8	Confident	61 Å²	61	70.8 Å²	70.8	43%	0.427	37%	0.37	S	S	.	.	H	α-helix	trans	-82.1	-52.1	-180	64.5	0	0	0	0	112.4	A221 W222	A221-S225 PolarHBondContact O-N 3.5Å; A221-S225 VanDerWaalsContact O-N 3.08Å; W222-S225 PolarHBondContact O-N 3.32Å; W222-S225 PolarHBondContact O-OG 3.41Å
226	D	69.3	Low	81.9	Confident	44 Å²	44	76.7 Å²	76.7	24%	0.235	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-95.7	-17.5	-160.3	-69.5	10.3	0	0	0	113.2	W222 K228 T229 G230	W222-D226 VanDerWaalsContact CD1-OD2 3.24Å; W222-D226 HydrophobicContact CD2-CB 4.46Å; W222-D226 HydrophobicContact CZ2-CB 4.07Å; W222-D226 PolarHBondContact NE1-OD2 3.29Å; W222-D226 PolarHBondContact O-N 3.17Å; D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.14Å; D226-T229 PolarHBondContact O-N 3.05Å; D226-T229 VanDerWaalsContact O-N 3.13Å; D226-T229 PolarHBondContact O-OG1 3.21Å; D226-G230 PolarHBondContact O-N 3.35Å
227	I	65.5	Low	82	Confident	84 Å²	84	75.1 Å²	75.1	43%	0.431	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-57.3	-30.2	171.4	-67.5	-176.4	0	0	0	110.8	L223	L223-I227 HydrophobicContact CB-CD1 3.92Å; L223-I227 HydrophobicContact CB-CG1 4.42Å; L223-I227 HydrophobicContact CD2-CD1 3.71Å; L223-I227 HydrophobicContact CD2-CG1 4.09Å; L223-I227 HydrophobicContact CG-CD1 4.4Å; L223-I227 WeakPolarHBondContact O-CB 3.31Å; L223-I227 WeakPolarHBondContact O-CD1 3.47Å; L223-I227 WeakPolarHBondContact O-CG1 3.3Å
228	K	61.5	Low	82.1	Confident	187 Å²	187	74.2 Å²	74.2	81%	0.813	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-78.1	-29.6	-179.7	-65.8	-174.2	179.6	-178.4	0	113.4	D226	D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.14Å
229	T	65.2	Low	82	Confident	115 Å²	115	71.1 Å²	71.1	71%	0.706	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-12.5	-174.2	52.8	0	0	0	0	113.2	D226	D226-T229 PolarHBondContact O-N 3.05Å; D226-T229 VanDerWaalsContact O-N 3.13Å; D226-T229 PolarHBondContact O-OG1 3.21Å
230	G	69.2	Low	82	Confident	36 Å²	36	71.5 Å²	71.5	37%	0.371	37%	0.373	S	S	.	.			trans	92.1	148.2	-175.6	0	0	0	0	0	111.9	D226 V232	D226-G230 PolarHBondContact O-N 3.35Å; G230-V232 PolarHBondContact O-N 3.15Å
231	I	78.2	Confident	82.1	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.051	35%	0.35	C	S	.	.			trans	-71.6	122	-178	-59.4	-172.6	0	0	0	110.2	W222 L237 Q256 L257 R260	W222-I231 HydrophobicContact CH2-CD1 3.63Å; W222-I231 HydrophobicContact CH2-CG1 3.69Å; W222-I231 HydrophobicContact CH2-CG2 4.32Å; W222-I231 HydrophobicContact CZ2-CD1 4.41Å; W222-I231 HydrophobicContact CZ2-CG1 4.08Å; W222-I231 HydrophobicContact CZ2-CG2 4.15Å; I231-L237 HydrophobicContact CG2-CD2 3.45Å; I231-L237 VanDerWaalsContact CG2-CD2 3.45Å; I231-Q256 HydrophobicContact CD1-CB 3.22Å; I231-Q256 HydrophobicContact CD1-CG 4.29Å; I231-Q256 HydrophobicContact CG1-CB 4.01Å; I231-L257 HydrophobicContact CD1-CD2 4.03Å; I231-L257 HydrophobicContact CD1-CG 4.07Å; I231-L257 HydrophobicContact CG2-CD2 3.81Å; I231-R260 WeakPolarHBondContact O-CD 3.49Å; I231-R260 PolarHBondContact O-NE 2.99Å; I231-R260 PolarHBondContact O-NH1 3.04Å
232	V	80.6	Confident	82.2	Confident	88 Å²	88	65.4 Å²	65.4	53%	0.533	34%	0.335	S	S	.	.			trans	-108.5	141.6	169.5	-177.9	0	0	0	0	109.7	G230 T234 L237	G230-V232 PolarHBondContact O-N 3.15Å; V232-T234 HydrophobicContact CB-CG2 4Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; V232-T234 PolarHBondContact O-N 3.46Å; V232-L237 VanDerWaalsContact O-CD2 3.28Å; V232-L237 WeakPolarHBondContact O-CD2 3.4Å
233	N	84.3	Confident	82.2	Confident	52 Å²	52	67.9 Å²	67.9	28%	0.278	35%	0.347	S	S	.	.			trans	-78.4	72.7	179.2	-173.6	-6.1	0	0	0	110	R238 L439	N233-R238 PolarHBondContact O-NH1 2.84Å; N233-R238 WeakPolarHBondContact OD1-CD 3.39Å; N233-R238 WeakPolarHBondContact OD1-CG 3.36Å; N233-R238 PolarHBondContact OD1-NH1 3.02Å; N233-L439 HydrophobicContact CB-CD1 4.06Å; N233-L439 PolarHBondContact ND2-O 3.01Å
234	T	87.6	Confident	82.4	Confident	44 Å²	44	67.5 Å²	67.5	27%	0.27	35%	0.347	S	S	.	.			trans	-84.7	163.1	179.6	67.3	0	0	0	0	111.3	V232 E236 L237 R238	V232-T234 HydrophobicContact CB-CG2 4Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; V232-T234 PolarHBondContact O-N 3.46Å; T234-E236 VanDerWaalsContact CB-OE2 3.3Å; T234-E236 WeakPolarHBondContact CB-OE2 3.46Å; T234-E236 PolarHBondContact O-N 2.9Å; T234-E236 PolarHBondContact OG1-OE2 3.21Å; T234-L237 PolarHBondContact O-N 2.86Å; T234-L237 WeakPolarHBondContact OG1-CB 3.33Å; T234-L237 PolarHBondContact OG1-N 3.08Å; T234-L237 VanDerWaalsContact OG1-N 3.09Å; T234-R238 WeakPolarHBondContact O-CG 3.49Å; T234-R238 PolarHBondContact O-N 3.05Å; T234-R238 PolarHBondContact O-NH1 2.91Å
235	R	88.4	Confident	82.8	Confident	194 Å²	194	61.8 Å²	61.8	73%	0.732	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-37.7	176.1	-178.7	-177.6	177.1	-175.7	-1.5	110.7	R238 A239	R235-R238 PolarHBondContact O-N 3.21Å; R235-A239 PolarHBondContact O-N 3.03Å
236	E	88.8	Confident	83.4	Confident	129 Å²	129	59.9 Å²	59.9	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-64.3	-45.8	179.6	-62	66.1	-141.2	0	0	110.3	T234 A239 L240	T234-E236 VanDerWaalsContact CB-OE2 3.3Å; T234-E236 WeakPolarHBondContact CB-OE2 3.46Å; T234-E236 PolarHBondContact O-N 2.9Å; T234-E236 PolarHBondContact OG1-OE2 3.21Å; E236-A239 PolarHBondContact O-N 3.33Å; E236-L240 WeakPolarHBondContact O-CB 3.25Å; E236-L240 PolarHBondContact O-N 3.26Å
237	L	90.5	Very high	84.2	Confident	3 Å²	3	60 Å²	60	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-40.1	176.9	-177.4	57.4	0	0	0	111.7	W219 W222 I231 V232 T234 A239 L240 V241 L439	W219-L237 HydrophobicContact CH2-CD1 3.99Å; W219-L237 HydrophobicContact CZ3-CD1 4.28Å; W222-L237 HydrophobicContact CD2-CD1 4.07Å; W222-L237 HydrophobicContact CH2-CD1 4.14Å; W222-L237 HydrophobicContact CH2-CD2 4.4Å; W222-L237 HydrophobicContact CZ2-CD1 3.57Å; W222-L237 HydrophobicContact CZ2-CD2 3.66Å; W222-L237 HydrophobicContact CZ2-CG 4.22Å; I231-L237 HydrophobicContact CG2-CD2 3.45Å; I231-L237 VanDerWaalsContact CG2-CD2 3.45Å; V232-L237 VanDerWaalsContact O-CD2 3.28Å; V232-L237 WeakPolarHBondContact O-CD2 3.4Å; T234-L237 PolarHBondContact O-N 2.86Å; T234-L237 WeakPolarHBondContact OG1-CB 3.33Å; T234-L237 PolarHBondContact OG1-N 3.08Å; T234-L237 VanDerWaalsContact OG1-N 3.09Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.24Å; L237-L240 PolarHBondContact O-N 3.02Å; L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.42Å; L237-V241 WeakPolarHBondContact O-CB 3.38Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 3.1Å; L237-L439 HydrophobicContact CB-CD2 4.46Å; L237-L439 HydrophobicContact CD2-CD1 3.67Å; L237-L439 HydrophobicContact CD2-CD2 4.24Å; L237-L439 HydrophobicContact CG-CD1 4.18Å; L237-L439 HydrophobicContact CG-CD2 3.81Å
238	R	91.4	Very high	85.3	Confident	70 Å²	70	62.6 Å²	62.6	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-44.4	173.4	-73.7	-169.5	-63.2	-83.9	4.4	111.8	N233 T234 R235 L240 V241 R242 L439 E440	N233-R238 PolarHBondContact O-NH1 2.84Å; N233-R238 WeakPolarHBondContact OD1-CD 3.39Å; N233-R238 WeakPolarHBondContact OD1-CG 3.36Å; N233-R238 PolarHBondContact OD1-NH1 3.02Å; T234-R238 WeakPolarHBondContact O-CG 3.49Å; T234-R238 PolarHBondContact O-N 3.05Å; T234-R238 PolarHBondContact O-NH1 2.91Å; R235-R238 PolarHBondContact O-N 3.21Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-V241 PolarHBondContact O-N 3.24Å; R238-R242 WeakPolarHBondContact O-CB 3.23Å; R238-R242 WeakPolarHBondContact O-CD 3.43Å; R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.38Å; R238-L439 HydrophobicContact CB-CD2 4.34Å; R238-L439 HydrophobicContact CG-CD2 3.76Å; R238-L439 HydrophobicContact CG-CG 4.41Å; R238-E440 HydrophobicContact CG-CG 4.1Å
239	A	90.6	Very high	86.8	Confident	42 Å²	42	55.6 Å²	55.6	35%	0.347	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-46.8	175.9	0	0	0	0	0	111.1	R235 E236 L237 V241 R242 E243	R235-A239 PolarHBondContact O-N 3.03Å; E236-A239 PolarHBondContact O-N 3.33Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.24Å; A239-V241 PolarHBondContact O-N 3.46Å; A239-R242 PolarHBondContact O-N 3.47Å; A239-E243 WeakPolarHBondContact O-CG 3.23Å; A239-E243 PolarHBondContact O-N 3.02Å
240	L	92.2	Very high	88.2	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-41.2	179.7	-167.2	68.8	0	0	0	112.8	N215 R218 W219 W222 E236 L237 R238 E243 G244	N215-L240 VanDerWaalsContact OD1-CD1 3.31Å; N215-L240 WeakPolarHBondContact OD1-CD1 3.41Å; R218-L240 HydrophobicContact CB-CD1 3.66Å; W219-L240 HydrophobicContact CD2-CD2 3.72Å; W219-L240 HydrophobicContact CD2-CG 3.98Å; W219-L240 VanDerWaalsContact CE2-CG 3.49Å; W219-L240 HydrophobicContact CE3-CD2 3.9Å; W219-L240 HydrophobicContact CG-CD2 4.19Å; W219-L240 HydrophobicContact CG-CG 4.35Å; W219-L240 HydrophobicContact CH2-CD2 4.1Å; W219-L240 HydrophobicContact CH2-CG 4.26Å; W219-L240 HydrophobicContact CZ2-CB 4.23Å; W219-L240 HydrophobicContact CZ2-CD2 3.92Å; W219-L240 HydrophobicContact CZ2-CG 3.63Å; W219-L240 HydrophobicContact CZ3-CD2 4.09Å; W222-L240 HydrophobicContact CB-CD2 3.99Å; W222-L240 HydrophobicContact CG-CD2 4.05Å; E236-L240 WeakPolarHBondContact O-CB 3.25Å; E236-L240 PolarHBondContact O-N 3.26Å; L237-L240 PolarHBondContact O-N 3.02Å; R238-L240 VanDerWaalsContact C-N 3.35Å; L240-E243 PolarHBondContact O-N 3.04Å; L240-G244 PolarHBondContact O-N 2.96Å
241	V	92.9	Very high	89.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-41.9	174.1	164.1	0	0	0	0	112	W219 L237 R238 A239 E243 G244 I245 D435 C436 L439	W219-V241 HydrophobicContact CH2-CG2 3.61Å; W219-V241 HydrophobicContact CZ2-CG2 3.89Å; L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.42Å; L237-V241 WeakPolarHBondContact O-CB 3.38Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 3.1Å; R238-V241 PolarHBondContact O-N 3.24Å; A239-V241 PolarHBondContact O-N 3.46Å; V241-E243 VanDerWaalsContact C-N 3.3Å; V241-E243 PolarHBondContact O-N 2.78Å; V241-G244 WeakPolarHBondContact O-CA 3.01Å; V241-G244 PolarHBondContact O-N 3Å; V241-I245 HydrophobicContact CG2-CD1 4.44Å; V241-D435 HydrophobicContact CG1-CB 4.15Å; V241-D435 WeakPolarHBondContact CG1-O 3.22Å; V241-C436 HydrophobicContact CG1-CB 4.42Å; V241-L439 HydrophobicContact CB-CD2 3.93Å; V241-L439 HydrophobicContact CG1-CD2 4.31Å; V241-L439 HydrophobicContact CG2-CD2 3.71Å
242	R	91.2	Very high	90.2	Very high	43 Å²	43	52.8 Å²	52.8	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-31.6	178.1	-71.5	169.5	-175.4	-162	0.6	112.4	R238 A239 G244 R432 E440 R447 F487 D494	R238-R242 WeakPolarHBondContact O-CB 3.23Å; R238-R242 WeakPolarHBondContact O-CD 3.43Å; R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.38Å; A239-R242 PolarHBondContact O-N 3.47Å; R242-G244 PolarHBondContact O-N 2.88Å; R242-R432 PolarHBondContact O-NH2 3.1Å; R242-E440 IonicContact CZ-OE1 3.01Å; R242-E440 IonicContact CZ-OE2 3.37Å; R242-E440 IonicContact NE-OE1 2.76Å; R242-E440 PolarHBondContact NE-OE1 3.03Å; R242-E440 IonicContact NE-OE2 3.51Å; R242-E440 IonicContact NH2-OE1 3.7Å; R242-E440 PolarHBondContact NH2-OE1 3.37Å; R242-E440 IonicContact NH2-OE2 2.8Å; R242-E440 PolarHBondContact NH2-OE2 3.35Å; R242-R447 VanDerWaalsContact NH2-NH1 3.16Å; R242-F487 WeakPolarHBondContact O-CD1 2.83Å; R242-F487 WeakPolarHBondContact O-CE1 3.4Å; R242-D494 IonicContact CZ-OD2 3.47Å; R242-D494 IonicContact NH1-OD2 2.76Å; R242-D494 PolarHBondContact NH1-OD2 3.14Å; R242-D494 IonicContact NH2-OD1 3.26Å; R242-D494 IonicContact NH2-OD2 2.82Å; R242-D494 PolarHBondContact NH2-OD2 3.47Å
243	E	88.9	Confident	90.8	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.8	169.6	-70.6	176.3	-137.8	0	0	113.3	R218 A239 L240 V241	R218-E243 IonicContact CZ-OE1 3.78Å; R218-E243 IonicContact CZ-OE2 3.19Å; R218-E243 IonicContact NH1-OE1 2.83Å; R218-E243 PolarHBondContact NH1-OE1 3.37Å; R218-E243 IonicContact NH1-OE2 2.72Å; R218-E243 PolarHBondContact NH1-OE2 2.88Å; R218-E243 IonicContact NH2-OE1 2.81Å; R218-E243 PolarHBondContact NH2-OE1 2.92Å; R218-E243 VanDerWaalsContact NH2-OE1 3.1Å; R218-E243 IonicContact NH2-OE2 2.73Å; A239-E243 WeakPolarHBondContact O-CG 3.23Å; A239-E243 PolarHBondContact O-N 3.02Å; L240-E243 PolarHBondContact O-N 3.04Å; V241-E243 VanDerWaalsContact C-N 3.3Å; V241-E243 PolarHBondContact O-N 2.78Å
244	G	90.3	Very high	91.4	Very high	6 Å²	6	46.2 Å²	46.2	6%	0.062	23%	0.231	C	C	.	.			trans	99.6	139.7	174.1	0	0	0	0	0	113.4	N215 W219 L240 V241 R242 R432	N215-G244 PolarHBondContact ND2-O 3.36Å; W219-G244 PolarHBondContact NE1-O 2.92Å; L240-G244 PolarHBondContact O-N 2.96Å; V241-G244 WeakPolarHBondContact O-CA 3.01Å; V241-G244 PolarHBondContact O-N 3Å; R242-G244 PolarHBondContact O-N 2.88Å; G244-R432 VanDerWaalsContact CA-NE 3.32Å
245	I	92.7	Very high	91.8	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.225	C	C	.	.			trans	-84.1	125.5	175.4	-52.9	179	0	0	0	109	W219 V241 S247 R250 V253 D435	W219-I245 HydrophobicContact CH2-CD1 4.18Å; W219-I245 HydrophobicContact CH2-CG1 3.82Å; W219-I245 HydrophobicContact CZ2-CB 4.28Å; W219-I245 HydrophobicContact CZ2-CD1 4.36Å; W219-I245 HydrophobicContact CZ2-CG1 3.52Å; W219-I245 HydrophobicContact CZ2-CG2 4.49Å; V241-I245 HydrophobicContact CG2-CD1 4.44Å; I245-S247 PolarHBondContact O-N 3.28Å; I245-R250 HydrophobicContact CG2-CB 4.25Å; I245-R250 PolarHBondContact O-NH2 3.45Å; I245-V253 HydrophobicContact CD1-CB 4.08Å; I245-V253 HydrophobicContact CD1-CG1 3.64Å; I245-V253 HydrophobicContact CG2-CB 4.42Å; I245-V253 HydrophobicContact CG2-CG2 4.1Å; I245-D435 WeakPolarHBondContact CB-OD2 3.32Å; I245-D435 HydrophobicContact CD1-CB 3.69Å; I245-D435 WeakPolarHBondContact CD1-OD1 3.45Å; I245-D435 HydrophobicContact CG1-CB 3.87Å; I245-D435 PolarHBondContact N-OD2 3.12Å
246	P	91.2	Very high	92	Very high	20 Å²	20	37.3 Å²	37.3	13%	0.13	20%	0.197	C	C	.	.			trans	-58.9	137.2	172.3	-25.3	33.7	0	0	0	111.1	V216 W219 K248 Y249 R250	V216-P246 HydrophobicContact CG2-CB 4.23Å; V216-P246 HydrophobicContact CG2-CG 3.91Å; W219-P246 HydrophobicContact CB-CG 4.35Å; W219-P246 HydrophobicContact CG-CG 4.13Å; P246-K248 HydrophobicContact CB-CG 4.41Å; P246-K248 PolarHBondContact O-N 3.11Å; P246-Y249 HydrophobicContact CB-CD2 3.88Å; P246-Y249 HydrophobicContact CG-CD2 3.92Å; P246-Y249 HydrophobicContact CG-CE2 4.48Å; P246-Y249 PolarHBondContact O-N 2.94Å; P246-R250 PolarHBondContact O-N 3.02Å
247	S	87.7	Confident	92.2	Very high	46 Å²	46	31.4 Å²	31.4	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-54.8	-35.6	-171.9	-58.9	0	0	0	0	114.4	Y183 I245 Y249 R250	Y183-S247 PolarHBondContact OH-OG 3.44Å; I245-S247 PolarHBondContact O-N 3.28Å; S247-Y249 PolarHBondContact O-N 3.26Å; S247-R250 PolarHBondContact O-N 2.96Å; S247-R250 PolarHBondContact OG-NH1 3.36Å; S247-R250 VanDerWaalsContact OG-NH1 3.17Å
248	K	88.4	Confident	92.5	Very high	140 Å²	140	31.3 Å²	31.3	61%	0.609	17%	0.169	S	C	*	.	H	α-helix	trans	-64.8	-20	175.4	64.6	177.5	176.6	173.3	0	115.1	V216 P246	V216-K248 VanDerWaalsContact CG1-NZ 3.32Å; P246-K248 HydrophobicContact CB-CG 4.41Å; P246-K248 PolarHBondContact O-N 3.11Å
249	Y	92.7	Very high	92.5	Very high	39 Å²	39	32.4 Å²	32.4	15%	0.153	18%	0.177	C	C	.	.	H	α-helix	trans	-104.1	-15	-179.4	-64.3	-42.6	0	0	0	112.9	V216 W219 L223 P246 S247 S251 A252 V253	V216-Y249 HydrophobicContact CG1-CE2 4.18Å; W219-Y249 HydrophobicContact CB-CD2 3.68Å; W219-Y249 HydrophobicContact CB-CE2 3.96Å; W219-Y249 HydrophobicContact CG-CD2 4.44Å; L223-Y249 HydrophobicContact CD1-CD1 3.36Å; L223-Y249 HydrophobicContact CD1-CD2 4.23Å; L223-Y249 HydrophobicContact CD1-CE1 3.91Å; L223-Y249 HydrophobicContact CD1-CG 3.57Å; P246-Y249 HydrophobicContact CB-CD2 3.88Å; P246-Y249 HydrophobicContact CG-CD2 3.92Å; P246-Y249 HydrophobicContact CG-CE2 4.48Å; P246-Y249 PolarHBondContact O-N 2.94Å; S247-Y249 PolarHBondContact O-N 3.26Å; Y249-S251 VanDerWaalsContact C-N 3.35Å; Y249-S251 PolarHBondContact O-N 3.28Å; Y249-A252 PolarHBondContact O-N 2.87Å; Y249-A252 VanDerWaalsContact O-N 3.14Å; Y249-V253 WeakPolarHBondContact O-CG2 3.5Å; Y249-V253 PolarHBondContact O-N 3.34Å
250	R	94.8	Very high	92.6	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-54.4	-47	-175.1	-173.5	168.6	-77.4	104	5.9	112.8	I245 P246 S247 A252 V253 W254 F350 D435	I245-R250 HydrophobicContact CG2-CB 4.25Å; I245-R250 PolarHBondContact O-NH2 3.45Å; P246-R250 PolarHBondContact O-N 3.02Å; S247-R250 PolarHBondContact O-N 2.96Å; S247-R250 PolarHBondContact OG-NH1 3.36Å; S247-R250 VanDerWaalsContact OG-NH1 3.17Å; R250-A252 PolarHBondContact O-N 3.06Å; R250-V253 PolarHBondContact O-N 3.04Å; R250-W254 VanDerWaalsContact CD-CZ2 3.49Å; R250-W254 HydrophobicContact CG-CD2 3.63Å; R250-W254 VanDerWaalsContact CG-CE2 3.41Å; R250-W254 HydrophobicContact CG-CE3 4.26Å; R250-W254 HydrophobicContact CG-CG 3.95Å; R250-W254 HydrophobicContact CG-CH2 4.49Å; R250-W254 HydrophobicContact CG-CZ2 3.89Å; R250-W254 VanDerWaalsContact O-CB 3.25Å; R250-W254 WeakPolarHBondContact O-CB 3.21Å; R250-W254 VanDerWaalsContact O-CG 3.29Å; R250-W254 PolarHBondContact O-N 3.39Å; R250-F350 HydrophobicContact CB-CD1 4.19Å; R250-F350 HydrophobicContact CG-CD1 3.94Å; R250-F350 HydrophobicContact CG-CE1 4.33Å; R250-F350 HydrophobicContact CG-CG 4.4Å; R250-D435 IonicContact CZ-OD1 2.82Å; R250-D435 IonicContact CZ-OD2 3.08Å; R250-D435 IonicContact NE-OD1 3.6Å; R250-D435 PolarHBondContact NE-OD1 3.44Å; R250-D435 IonicContact NE-OD2 2.75Å; R250-D435 IonicContact NH2-OD1 3.7Å; R250-D435 IonicContact NH2-OD2 2.64Å; R250-D435 PolarHBondContact NH2-OD2 3Å
251	S	95.3	Very high	92.6	Very high	55 Å²	55	38.1 Å²	38.1	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-52.9	-54	176.2	-179.2	0	0	0	0	112	Y249 V253 W254 T255 F350	Y249-S251 VanDerWaalsContact C-N 3.35Å; Y249-S251 PolarHBondContact O-N 3.28Å; S251-V253 PolarHBondContact O-N 3.44Å; S251-W254 PolarHBondContact O-N 3.48Å; S251-T255 WeakPolarHBondContact O-CB 3.37Å; S251-T255 PolarHBondContact O-N 3.09Å; S251-T255 PolarHBondContact O-OG1 3.42Å; S251-T255 VanDerWaalsContact O-OG1 3.12Å; S251-F350 WeakPolarHBondContact CA-O 3.48Å; S251-F350 WeakPolarHBondContact CB-O 3.28Å; S251-F350 PolarHBondContact OG-O 3.36Å
252	A	93.5	Very high	92.7	Very high	42 Å²	42	38.1 Å²	38.1	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-37.4	-177.8	0	0	0	0	0	113.1	Y249 R250 Q256	Y249-A252 PolarHBondContact O-N 2.87Å; Y249-A252 VanDerWaalsContact O-N 3.14Å; R250-A252 PolarHBondContact O-N 3.06Å; A252-Q256 WeakPolarHBondContact O-CG 3.5Å; A252-Q256 PolarHBondContact O-N 3.4Å; A252-Q256 PolarHBondContact O-NE2 2.93Å
253	V	94.2	Very high	92.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-72.4	-47.8	179.2	179.6	0	0	0	0	110.7	W219 W222 L223 I245 Y249 R250 S251 Q256 L257	W219-V253 HydrophobicContact CE3-CG2 3.93Å; W219-V253 HydrophobicContact CH2-CG1 4.22Å; W219-V253 HydrophobicContact CH2-CG2 4.36Å; W219-V253 HydrophobicContact CZ3-CB 4.49Å; W219-V253 HydrophobicContact CZ3-CG1 4.05Å; W219-V253 HydrophobicContact CZ3-CG2 3.57Å; W222-V253 HydrophobicContact CZ3-CG2 4.25Å; L223-V253 HydrophobicContact CD2-CG2 3.96Å; I245-V253 HydrophobicContact CD1-CB 4.08Å; I245-V253 HydrophobicContact CD1-CG1 3.64Å; I245-V253 HydrophobicContact CG2-CB 4.42Å; I245-V253 HydrophobicContact CG2-CG2 4.1Å; Y249-V253 WeakPolarHBondContact O-CG2 3.5Å; Y249-V253 PolarHBondContact O-N 3.34Å; R250-V253 PolarHBondContact O-N 3.04Å; S251-V253 PolarHBondContact O-N 3.44Å; V253-Q256 PolarHBondContact O-N 3.25Å; V253-L257 HydrophobicContact CG1-CD1 3.83Å; V253-L257 HydrophobicContact CG1-CG 4.27Å; V253-L257 WeakPolarHBondContact O-CG 3.4Å; V253-L257 PolarHBondContact O-N 3.31Å
254	W	96.3	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-46.6	179.7	-74.9	12.6	0	0	0	111.7	R250 S251 Q256 L257 L258 F350 V351 L431 W434 D435 F438	R250-W254 VanDerWaalsContact CD-CZ2 3.49Å; R250-W254 HydrophobicContact CG-CD2 3.63Å; R250-W254 VanDerWaalsContact CG-CE2 3.41Å; R250-W254 HydrophobicContact CG-CE3 4.26Å; R250-W254 HydrophobicContact CG-CG 3.95Å; R250-W254 HydrophobicContact CG-CH2 4.49Å; R250-W254 HydrophobicContact CG-CZ2 3.89Å; R250-W254 VanDerWaalsContact O-CB 3.25Å; R250-W254 WeakPolarHBondContact O-CB 3.21Å; R250-W254 VanDerWaalsContact O-CG 3.29Å; R250-W254 PolarHBondContact O-N 3.39Å; S251-W254 PolarHBondContact O-N 3.48Å; W254-Q256 VanDerWaalsContact C-N 3.29Å; W254-Q256 PolarHBondContact O-N 3.13Å; W254-L257 PolarHBondContact O-N 3.3Å; W254-L258 WeakPolarHBondContact O-CB 3.5Å; W254-L258 VanDerWaalsContact O-CG 3.28Å; W254-L258 WeakPolarHBondContact O-CG 3.41Å; W254-L258 PolarHBondContact O-N 3.25Å; W254-F350 HydrophobicContact CE3-CB 3.76Å; W254-F350 HydrophobicContact CE3-CD2 4.17Å; W254-F350 HydrophobicContact CE3-CG 4.08Å; W254-F350 HydrophobicContact CH2-CD2 4.07Å; W254-F350 HydrophobicContact CH2-CE2 4.38Å; W254-F350 HydrophobicContact CZ3-CB 4Å; W254-F350 AromaticContact CZ3-CD2 3.52Å; W254-F350 HydrophobicContact CZ3-CD2 3.52Å; W254-F350 HydrophobicContact CZ3-CE2 4.26Å; W254-F350 AromaticContact CZ3-CG 3.89Å; W254-F350 HydrophobicContact CZ3-CG 3.89Å; W254-V351 HydrophobicContact CB-CG1 3.95Å; W254-L431 HydrophobicContact CH2-CD2 3.62Å; W254-L431 HydrophobicContact CZ2-CD2 4.13Å; W254-W434 HydrophobicContact CH2-CB 3.99Å; W254-W434 HydrophobicContact CH2-CD2 4.27Å; W254-W434 AromaticContact CH2-CE3 3.5Å; W254-W434 HydrophobicContact CH2-CE3 3.5Å; W254-W434 VanDerWaalsContact CH2-CE3 3.5Å; W254-W434 HydrophobicContact CH2-CZ3 4.3Å; W254-W434 HydrophobicContact CZ2-CB 3.66Å; W254-W434 HydrophobicContact CZ2-CE3 4.26Å; W254-W434 AromaticContact CZ3-CE3 3.82Å; W254-W434 HydrophobicContact CZ3-CE3 3.82Å; W254-W434 HydrophobicContact CZ3-CZ3 4.25Å; W254-D435 PolarHBondContact NE1-OD1 3.3Å; W254-F438 HydrophobicContact CB-CD2 4.13Å; W254-F438 HydrophobicContact CB-CE2 4.15Å; W254-F438 AromaticContact CD1-CD2 3.69Å; W254-F438 AromaticContact CD2-CD2 3.77Å; W254-F438 HydrophobicContact CD2-CD2 3.77Å; W254-F438 AromaticContact CD2-CE2 3.37Å; W254-F438 HydrophobicContact CD2-CE2 3.37Å; W254-F438 AromaticContact CE2-CD2 3.85Å; W254-F438 AromaticContact CE2-CE2 3.66Å; W254-F438 HydrophobicContact CE3-CD2 4.44Å; W254-F438 AromaticContact CE3-CE2 3.6Å; W254-F438 HydrophobicContact CE3-CE2 3.6Å; W254-F438 HydrophobicContact CE3-CZ 4.47Å; W254-F438 AromaticContact CG-CD2 3.62Å; W254-F438 HydrophobicContact CG-CD2 3.62Å; W254-F438 AromaticContact CG-CE2 3.66Å; W254-F438 HydrophobicContact CG-CE2 3.66Å; W254-F438 HydrophobicContact CH2-CE2 4.29Å; W254-F438 HydrophobicContact CZ2-CE2 4.12Å; W254-F438 HydrophobicContact CZ3-CE2 4.05Å; W254-F438 AromaticContact NE1-CD2 3.83Å
255	T	95.3	Very high	93.2	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.141	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-45.8	176.2	-69.5	0	0	0	0	111.5	S251 L258 Q259 V351	S251-T255 WeakPolarHBondContact O-CB 3.37Å; S251-T255 PolarHBondContact O-N 3.09Å; S251-T255 PolarHBondContact O-OG1 3.42Å; S251-T255 VanDerWaalsContact O-OG1 3.12Å; T255-L258 PolarHBondContact O-N 3.42Å; T255-Q259 HydrophobicContact CG2-CG 4.38Å; T255-Q259 VanDerWaalsContact CG2-NE2 3.26Å; T255-Q259 WeakPolarHBondContact O-CB 3.23Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 3.1Å; T255-V351 WeakPolarHBondContact OG1-CG1 3.29Å
256	Q	92.6	Very high	93.3	Very high	29 Å²	29	46.3 Å²	46.3	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-38	179.8	-72.8	177.7	76.5	0	0	113.3	I231 A252 V253 W254 L258 Q259 R260	I231-Q256 HydrophobicContact CD1-CB 3.22Å; I231-Q256 HydrophobicContact CD1-CG 4.29Å; I231-Q256 HydrophobicContact CG1-CB 4.01Å; A252-Q256 WeakPolarHBondContact O-CG 3.5Å; A252-Q256 PolarHBondContact O-N 3.4Å; A252-Q256 PolarHBondContact O-NE2 2.93Å; V253-Q256 PolarHBondContact O-N 3.25Å; W254-Q256 VanDerWaalsContact C-N 3.29Å; W254-Q256 PolarHBondContact O-N 3.13Å; Q256-L258 VanDerWaalsContact C-N 3.33Å; Q256-Q259 PolarHBondContact O-N 2.79Å; Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 3.02Å
257	L	94.2	Very high	93.4	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-43.5	175.3	-72	171.9	0	0	0	111	I231 V253 W254 R260 M261 F438 L439	I231-L257 HydrophobicContact CD1-CD2 4.03Å; I231-L257 HydrophobicContact CD1-CG 4.07Å; I231-L257 HydrophobicContact CG2-CD2 3.81Å; V253-L257 HydrophobicContact CG1-CD1 3.83Å; V253-L257 HydrophobicContact CG1-CG 4.27Å; V253-L257 WeakPolarHBondContact O-CG 3.4Å; V253-L257 PolarHBondContact O-N 3.31Å; W254-L257 PolarHBondContact O-N 3.3Å; L257-R260 PolarHBondContact O-N 2.78Å; L257-M261 WeakPolarHBondContact O-CB 3.49Å; L257-M261 PolarHBondContact O-N 2.88Å; L257-F438 HydrophobicContact CB-CB 4.05Å; L257-F438 HydrophobicContact CD1-CB 3.67Å; L257-F438 HydrophobicContact CG-CB 4.47Å; L257-L439 HydrophobicContact CD1-CB 4.44Å; L257-L439 HydrophobicContact CD2-CB 4.29Å; L257-L439 HydrophobicContact CD2-CD1 3.86Å
258	L	95.1	Very high	93.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-48.3	175.6	-68.4	174.1	0	0	0	111.6	W254 T255 Q256 R260 M261 T262 V351 L359 F438	W254-L258 WeakPolarHBondContact O-CB 3.5Å; W254-L258 VanDerWaalsContact O-CG 3.28Å; W254-L258 WeakPolarHBondContact O-CG 3.41Å; W254-L258 PolarHBondContact O-N 3.25Å; T255-L258 PolarHBondContact O-N 3.42Å; Q256-L258 VanDerWaalsContact C-N 3.33Å; L258-R260 VanDerWaalsContact C-N 3.28Å; L258-R260 PolarHBondContact O-N 3.12Å; L258-M261 PolarHBondContact O-N 3.2Å; L258-M261 VanDerWaalsContact O-N 3.1Å; L258-T262 PolarHBondContact O-N 2.83Å; L258-T262 PolarHBondContact O-OG1 3.08Å; L258-V351 HydrophobicContact CD1-CG2 4.44Å; L258-L359 HydrophobicContact CD1-CB 4.07Å; L258-L359 HydrophobicContact CD2-CB 3.88Å; L258-L359 HydrophobicContact CD2-CD1 3.79Å; L258-L359 HydrophobicContact CD2-CG 4.42Å; L258-F438 HydrophobicContact CD2-CD1 4.36Å; L258-F438 HydrophobicContact CD2-CE1 4.28Å
259	Q	93.1	Very high	94.1	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-40.8	178.6	-77	174.1	3.2	0	0	112.4	T255 Q256 Q263	T255-Q259 HydrophobicContact CG2-CG 4.38Å; T255-Q259 VanDerWaalsContact CG2-NE2 3.26Å; T255-Q259 WeakPolarHBondContact O-CB 3.23Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 3.1Å; Q256-Q259 PolarHBondContact O-N 2.79Å; Q259-Q263 WeakPolarHBondContact O-CA 3.45Å; Q259-Q263 WeakPolarHBondContact O-CB 3.46Å; Q259-Q263 PolarHBondContact O-N 2.64Å; Q259-Q263 VanDerWaalsContact O-N 3.09Å
260	R	91.8	Very high	94.1	Very high	106 Å²	106	53.1 Å²	53.1	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-51	173.2	179.8	-168.5	176.4	-170.3	-7.2	110.9	I231 Q256 L257 L258 T262 Q263	I231-R260 WeakPolarHBondContact O-CD 3.49Å; I231-R260 PolarHBondContact O-NE 2.99Å; I231-R260 PolarHBondContact O-NH1 3.04Å; Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 3.02Å; L257-R260 PolarHBondContact O-N 2.78Å; L258-R260 VanDerWaalsContact C-N 3.28Å; L258-R260 PolarHBondContact O-N 3.12Å; R260-T262 VanDerWaalsContact C-N 3.28Å; R260-T262 PolarHBondContact O-N 3.38Å; R260-Q263 WeakPolarHBondContact O-CB 3.33Å; R260-Q263 PolarHBondContact O-N 2.82Å
261	M	92.6	Very high	94	Very high	65 Å²	65	57 Å²	57	32%	0.32	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-39.5	-177	-174.6	58.4	57.5	0	0	111.9	L257 L258 A362 C366 Y367	L257-M261 WeakPolarHBondContact O-CB 3.49Å; L257-M261 PolarHBondContact O-N 2.88Å; L258-M261 PolarHBondContact O-N 3.2Å; L258-M261 VanDerWaalsContact O-N 3.1Å; M261-A362 HydrophobicContact CG-CB 4Å; M261-C366 HydrophobicContact CG-CB 3.74Å; M261-C366 HydrophobicContact SD-CB 3.63Å; M261-Y367 HydrophobicContact CE-CD1 4.24Å; M261-Y367 HydrophobicContact CE-CE1 3.46Å; M261-Y367 VanDerWaalsContact CE-CE1 3.46Å; M261-Y367 HydrophobicContact CG-CE1 4.27Å; M261-Y367 HydrophobicContact CG-CE2 3.94Å; M261-Y367 HydrophobicContact SD-CD1 4.41Å; M261-Y367 HydrophobicContact SD-CE1 4.07Å
262	T	94.5	Very high	93.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	10.8	-176.9	64.7	0	0	0	0	113.9	L258 R260 D264 V265 K266 W358 A362	L258-T262 PolarHBondContact O-N 2.83Å; L258-T262 PolarHBondContact O-OG1 3.08Å; R260-T262 VanDerWaalsContact C-N 3.28Å; R260-T262 PolarHBondContact O-N 3.38Å; T262-D264 VanDerWaalsContact C-N 3.31Å; T262-D264 PolarHBondContact O-N 2.75Å; T262-V265 PolarHBondContact O-N 3.31Å; T262-K266 VanDerWaalsContact O-CB 3.25Å; T262-K266 WeakPolarHBondContact O-CB 3.49Å; T262-K266 PolarHBondContact O-N 2.91Å; T262-W358 HydrophobicContact CG2-CB 4.19Å; T262-W358 HydrophobicContact CG2-CE3 4.12Å; T262-W358 WeakPolarHBondContact CG2-O 3.49Å; T262-A362 HydrophobicContact CG2-CB 3.62Å
263	Q	93.5	Very high	94.1	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-44.9	-169.7	-172.6	-178.8	1.7	0	0	112	Q259 R260 K267	Q259-Q263 WeakPolarHBondContact O-CA 3.45Å; Q259-Q263 WeakPolarHBondContact O-CB 3.46Å; Q259-Q263 PolarHBondContact O-N 2.64Å; Q259-Q263 VanDerWaalsContact O-N 3.09Å; R260-Q263 WeakPolarHBondContact O-CB 3.33Å; R260-Q263 PolarHBondContact O-N 2.82Å; Q263-K267 VanDerWaalsContact O-CG 3.31Å; Q263-K267 WeakPolarHBondContact O-CG 3.28Å; Q263-K267 PolarHBondContact O-N 3.13Å
264	D	93	Very high	94.2	Very high	116 Å²	116	60.2 Å²	60.2	62%	0.62	30%	0.299	S	S	*	.	H	α-helix	trans	-75.1	-38	-176.7	-63.2	-31.4	0	0	0	112.4	T262 K266 K267 K268	T262-D264 VanDerWaalsContact C-N 3.31Å; T262-D264 PolarHBondContact O-N 2.75Å; D264-K266 VanDerWaalsContact C-N 3.34Å; D264-K266 PolarHBondContact O-N 2.56Å; D264-K267 PolarHBondContact O-N 3.01Å; D264-K267 IonicContact OD1-NZ 2.68Å; D264-K267 PolarHBondContact OD1-NZ 3.02Å; D264-K268 PolarHBondContact O-N 3.23Å; D264-K268 VanDerWaalsContact O-N 3.1Å
265	V	93.7	Very high	94.1	Very high	23 Å²	23	65.9 Å²	65.9	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-41.3	173.7	-169.8	0	0	0	0	110.5	T262 K268 H269 W358 I361 E365	T262-V265 PolarHBondContact O-N 3.31Å; V265-K268 WeakPolarHBondContact O-CB 3.37Å; V265-K268 PolarHBondContact O-N 2.97Å; V265-H269 PolarHBondContact O-CD2 3.31Å; V265-H269 VanDerWaalsContact O-CD2 3.3Å; V265-H269 PolarHBondContact O-N 2.81Å; V265-W358 HydrophobicContact CB-CZ3 4.29Å; V265-W358 HydrophobicContact CG1-CZ3 4.05Å; V265-I361 HydrophobicContact CB-CG2 4.39Å; V265-I361 HydrophobicContact CG1-CG2 3.75Å; V265-E365 WeakPolarHBondContact CG1-OE2 3.36Å
266	K	94.9	Very high	94.1	Very high	64 Å²	64	70.5 Å²	70.5	28%	0.278	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-41.2	176.7	-172.5	163.9	-169.9	162.7	0	112.3	T262 D264 K268 H269 G270 E354 W358	T262-K266 VanDerWaalsContact O-CB 3.25Å; T262-K266 WeakPolarHBondContact O-CB 3.49Å; T262-K266 PolarHBondContact O-N 2.91Å; D264-K266 VanDerWaalsContact C-N 3.34Å; D264-K266 PolarHBondContact O-N 2.56Å; K266-K268 VanDerWaalsContact C-N 3.34Å; K266-K268 PolarHBondContact O-N 3.26Å; K266-H269 PolarHBondContact O-N 2.65Å; K266-G270 PolarHBondContact O-N 3.01Å; K266-E354 IonicContact NZ-OE1 3.4Å; K266-E354 PolarHBondContact NZ-OE1 3.31Å; K266-W358 VanDerWaalsContact CA-CH2 3.43Å; K266-W358 HydrophobicContact CB-CE3 4.47Å; K266-W358 HydrophobicContact CB-CH2 3.72Å; K266-W358 HydrophobicContact CB-CZ2 3.86Å; K266-W358 HydrophobicContact CB-CZ3 4.02Å; K266-W358 HydrophobicContact CD-CD2 4.46Å; K266-W358 HydrophobicContact CD-CZ2 3.91Å; K266-W358 HydrophobicContact CG-CH2 3.94Å; K266-W358 HydrophobicContact CG-CZ2 3.57Å
267	K	94.7	Very high	94.2	Very high	134 Å²	134	69.8 Å²	69.8	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-59.2	-43	173.5	-75.8	170.4	-172.7	161	0	111.9	Q263 D264 H269	Q263-K267 VanDerWaalsContact O-CG 3.31Å; Q263-K267 WeakPolarHBondContact O-CG 3.28Å; Q263-K267 PolarHBondContact O-N 3.13Å; D264-K267 PolarHBondContact O-N 3.01Å; D264-K267 IonicContact OD1-NZ 2.68Å; D264-K267 PolarHBondContact OD1-NZ 3.02Å; K267-H269 VanDerWaalsContact C-N 3.34Å; K267-H269 PolarHBondContact O-N 3.11Å
268	K	95.5	Very high	94	Very high	167 Å²	167	72 Å²	72	73%	0.726	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-38.4	-179.8	-179.2	-176.9	175.1	-173.9	0	113.3	D264 V265 K266	D264-K268 PolarHBondContact O-N 3.23Å; D264-K268 VanDerWaalsContact O-N 3.1Å; V265-K268 WeakPolarHBondContact O-CB 3.37Å; V265-K268 PolarHBondContact O-N 2.97Å; K266-K268 VanDerWaalsContact C-N 3.34Å; K266-K268 PolarHBondContact O-N 3.26Å
269	H	94.7	Very high	93.7	Very high	54 Å²	54	75 Å²	75	25%	0.25	37%	0.371	C	S	.	.	H	α-helix	trans	-92.8	-17.7	-176.4	-71	-67.4	0	0	0	114.7	V265 K266 K267 Y273 H330	V265-H269 PolarHBondContact O-CD2 3.31Å; V265-H269 VanDerWaalsContact O-CD2 3.3Å; V265-H269 PolarHBondContact O-N 2.81Å; K266-H269 PolarHBondContact O-N 2.65Å; K267-H269 VanDerWaalsContact C-N 3.34Å; K267-H269 PolarHBondContact O-N 3.11Å; H269-Y273 HydrophobicContact CB-CD1 3.62Å; H269-Y273 HydrophobicContact CB-CD2 3.75Å; H269-Y273 HydrophobicContact CB-CE1 3.82Å; H269-Y273 HydrophobicContact CB-CE2 3.97Å; H269-Y273 HydrophobicContact CB-CG 3.58Å; H269-Y273 AromaticContact CD2-CE1 3.83Å; H269-Y273 AromaticContact CE1-CZ 3.72Å; H269-Y273 PolarHBondContact CE1-OH 3.43Å; H269-Y273 AromaticContact CG-CD1 3.87Å; H269-Y273 AromaticContact CG-CE1 3.51Å; H269-Y273 AromaticContact CG-CE2 3.91Å; H269-Y273 AromaticContact CG-CZ 3.55Å; H269-Y273 AromaticContact ND1-CE1 3.74Å; H269-Y273 AromaticContact ND1-CE2 3.56Å; H269-Y273 AromaticContact ND1-CZ 3.26Å; H269-Y273 VanDerWaalsContact ND1-CZ 3.26Å; H269-Y273 PolarHBondContact ND1-OH 3.06Å; H269-H330 AromaticContact NE2-CE1 3.57Å
270	G	93	Very high	93.4	Very high	32 Å²	32	72 Å²	72	33%	0.33	36%	0.36	S	S	.	.			trans	76.8	-173	178	0	0	0	0	0	114.3	K266	K266-G270 PolarHBondContact O-N 3.01Å
271	S	91.8	Very high	92.9	Very high	89 Å²	89	66.9 Å²	66.9	62%	0.622	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	155.1	-175.1	61.1	0	0	0	0	113.4	Y273 K276	S271-Y273 PolarHBondContact O-N 3.13Å; S271-Y273 VanDerWaalsContact O-N 3.16Å; S271-K276 PolarHBondContact O-NZ 3.34Å; S271-K276 VanDerWaalsContact O-NZ 3.12Å
272	N	93.8	Very high	92.1	Very high	105 Å²	105	68.5 Å²	68.5	56%	0.561	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.5	179.4	-60.2	-34.2	0	0	0	114.6	F274 H275 K276	N272-F274 PolarHBondContact O-N 3.36Å; N272-H275 PolarHBondContact O-N 2.99Å; N272-K276 WeakPolarHBondContact O-CG 3.32Å; N272-K276 PolarHBondContact O-N 2.88Å
273	Y	96.9	Very high	91.4	Very high	36 Å²	36	77 Å²	77	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-47.3	-174.7	-174.1	-124	0	0	0	112.8	H269 S271 H275 K276 L277 H330 F357 W358	H269-Y273 HydrophobicContact CB-CD1 3.62Å; H269-Y273 HydrophobicContact CB-CD2 3.75Å; H269-Y273 HydrophobicContact CB-CE1 3.82Å; H269-Y273 HydrophobicContact CB-CE2 3.97Å; H269-Y273 HydrophobicContact CB-CG 3.58Å; H269-Y273 AromaticContact CD2-CE1 3.83Å; H269-Y273 AromaticContact CE1-CZ 3.72Å; H269-Y273 PolarHBondContact CE1-OH 3.43Å; H269-Y273 AromaticContact CG-CD1 3.87Å; H269-Y273 AromaticContact CG-CE1 3.51Å; H269-Y273 AromaticContact CG-CE2 3.91Å; H269-Y273 AromaticContact CG-CZ 3.55Å; H269-Y273 AromaticContact ND1-CE1 3.74Å; H269-Y273 AromaticContact ND1-CE2 3.56Å; H269-Y273 AromaticContact ND1-CZ 3.26Å; H269-Y273 VanDerWaalsContact ND1-CZ 3.26Å; H269-Y273 PolarHBondContact ND1-OH 3.06Å; S271-Y273 PolarHBondContact O-N 3.13Å; S271-Y273 VanDerWaalsContact O-N 3.16Å; Y273-H275 VanDerWaalsContact C-N 3.34Å; Y273-H275 PolarHBondContact O-N 3.24Å; Y273-K276 PolarHBondContact O-N 3.42Å; Y273-L277 HydrophobicContact CD1-CD1 3.77Å; Y273-L277 HydrophobicContact CD2-CD1 4.33Å; Y273-L277 HydrophobicContact CD2-CG 4.32Å; Y273-L277 HydrophobicContact CE1-CD1 3.39Å; Y273-L277 HydrophobicContact CE1-CG 4.29Å; Y273-L277 HydrophobicContact CE2-CD1 3.99Å; Y273-L277 HydrophobicContact CE2-CD2 4.06Å; Y273-L277 HydrophobicContact CE2-CG 3.99Å; Y273-L277 HydrophobicContact CG-CD1 4.22Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.5Å; Y273-L277 WeakPolarHBondContact O-CG 3.44Å; Y273-L277 PolarHBondContact O-N 2.98Å; Y273-H330 AromaticContact CE1-ND1 3.47Å; Y273-H330 WeakPolarHBondContact CE1-ND1 3.36Å; Y273-H330 AromaticContact CZ-ND1 3.64Å; Y273-H330 PolarHBondContact OH-ND1 3.46Å; Y273-F357 HydrophobicContact CD1-CE1 4.02Å; Y273-F357 HydrophobicContact CD1-CZ 4.04Å; Y273-F357 HydrophobicContact CE1-CE1 4.44Å; Y273-F357 HydrophobicContact CE1-CZ 4.05Å; Y273-W358 HydrophobicContact CD1-CH2 4.15Å; Y273-W358 HydrophobicContact CD1-CZ2 4.37Å
274	F	97.2	Very high	90.6	Very high	24 Å²	24	75.6 Å²	75.6	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-53.7	-48.6	175.3	169.7	-117.3	0	0	0	112.3	N272 K276 L277 H278 Q322 V323 A326 A353 E354 F357	N272-F274 PolarHBondContact O-N 3.36Å; F274-K276 PolarHBondContact O-N 3.49Å; F274-L277 PolarHBondContact O-N 3.31Å; F274-H278 PolarHBondContact O-N 3.16Å; F274-Q322 HydrophobicContact CZ-CB 4.17Å; F274-V323 HydrophobicContact CE2-CG2 4.33Å; F274-V323 HydrophobicContact CZ-CG2 4.35Å; F274-A326 HydrophobicContact CD2-CB 3.54Å; F274-A326 HydrophobicContact CE2-CB 3.57Å; F274-A353 HydrophobicContact CE1-CB 4.16Å; F274-A353 HydrophobicContact CZ-CB 4.1Å; F274-E354 HydrophobicContact CB-CG 3.96Å; F274-E354 HydrophobicContact CD1-CB 3.94Å; F274-E354 HydrophobicContact CD1-CG 4.31Å; F274-E354 HydrophobicContact CG-CB 4.35Å; F274-E354 HydrophobicContact CG-CG 4.33Å; F274-F357 HydrophobicContact CB-CD1 3.93Å; F274-F357 HydrophobicContact CB-CE1 4.25Å; F274-F357 HydrophobicContact CB-CG 4.38Å; F274-F357 HydrophobicContact CD2-CB 3.6Å; F274-F357 HydrophobicContact CD2-CD1 4Å; F274-F357 AromaticContact CD2-CD2 3.95Å; F274-F357 HydrophobicContact CD2-CD2 3.95Å; F274-F357 AromaticContact CD2-CG 3.57Å; F274-F357 HydrophobicContact CD2-CG 3.57Å; F274-F357 HydrophobicContact CE2-CB 3.96Å; F274-F357 HydrophobicContact CE2-CG 4.3Å; F274-F357 HydrophobicContact CG-CB 4.34Å; F274-F357 HydrophobicContact CG-CD1 4.33Å; F274-F357 HydrophobicContact CG-CG 4.31Å
275	H	94.7	Very high	89.7	Confident	118 Å²	118	74.6 Å²	74.6	55%	0.546	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-44.7	179.1	-177.4	78.9	0	0	0	112	N272 Y273 L277 H278 C279	N272-H275 PolarHBondContact O-N 2.99Å; Y273-H275 VanDerWaalsContact C-N 3.34Å; Y273-H275 PolarHBondContact O-N 3.24Å; H275-L277 PolarHBondContact O-N 2.96Å; H275-H278 PolarHBondContact O-N 2.82Å; H275-C279 WeakPolarHBondContact O-CB 3.38Å; H275-C279 PolarHBondContact O-N 3.17Å; H275-C279 PolarHBondContact O-SG 3.34Å; H275-C279 VanDerWaalsContact O-SG 3.41Å
276	K	94.9	Very high	88.7	Confident	120 Å²	120	82.7 Å²	82.7	52%	0.522	41%	0.413	S	S	.	.	H	α-helix	trans	-58.3	-45.6	177.6	-71.6	168.7	-177.3	163.1	0	111.8	S271 N272 Y273 F274 S280	S271-K276 PolarHBondContact O-NZ 3.34Å; S271-K276 VanDerWaalsContact O-NZ 3.12Å; N272-K276 WeakPolarHBondContact O-CG 3.32Å; N272-K276 PolarHBondContact O-N 2.88Å; Y273-K276 PolarHBondContact O-N 3.42Å; F274-K276 PolarHBondContact O-N 3.49Å; K276-S280 WeakPolarHBondContact O-CB 3.25Å; K276-S280 PolarHBondContact O-N 3.34Å; K276-S280 PolarHBondContact O-OG 3.44Å
277	L	95.2	Very high	87.7	Confident	15 Å²	15	83.9 Å²	83.9	8%	0.079	43%	0.426	C	S	.	.	H	α-helix	trans	-67.2	-42.5	-179.8	-69.5	171.2	0	0	0	112.9	Y273 F274 H275 S280 F281 A326 T329 H330 F357	Y273-L277 HydrophobicContact CD1-CD1 3.77Å; Y273-L277 HydrophobicContact CD2-CD1 4.33Å; Y273-L277 HydrophobicContact CD2-CG 4.32Å; Y273-L277 HydrophobicContact CE1-CD1 3.39Å; Y273-L277 HydrophobicContact CE1-CG 4.29Å; Y273-L277 HydrophobicContact CE2-CD1 3.99Å; Y273-L277 HydrophobicContact CE2-CD2 4.06Å; Y273-L277 HydrophobicContact CE2-CG 3.99Å; Y273-L277 HydrophobicContact CG-CD1 4.22Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.5Å; Y273-L277 WeakPolarHBondContact O-CG 3.44Å; Y273-L277 PolarHBondContact O-N 2.98Å; F274-L277 PolarHBondContact O-N 3.31Å; H275-L277 PolarHBondContact O-N 2.96Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-S280 PolarHBondContact O-OG 2.94Å; L277-F281 PolarHBondContact O-N 3.48Å; L277-F281 VanDerWaalsContact O-N 3.14Å; L277-A326 HydrophobicContact CB-CB 4.05Å; L277-T329 HydrophobicContact CB-CG2 4.44Å; L277-T329 HydrophobicContact CD2-CG2 3.59Å; L277-T329 PolarHBondContact O-OG1 3.29Å; L277-H330 HydrophobicContact CD1-CB 3.78Å; L277-F357 HydrophobicContact CD1-CE1 4.39Å; L277-F357 HydrophobicContact CD1-CE2 3.8Å; L277-F357 HydrophobicContact CD1-CZ 3.39Å
278	H	89.2	Confident	87.1	Confident	50 Å²	50	77.5 Å²	77.5	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-46.1	176.7	169.1	-107.1	0	0	0	111.2	F274 H275 S280 F281 Q322 A326	F274-H278 PolarHBondContact O-N 3.16Å; H275-H278 PolarHBondContact O-N 2.82Å; H278-S280 VanDerWaalsContact C-N 3.29Å; H278-S280 PolarHBondContact O-N 3.42Å; H278-F281 PolarHBondContact O-N 3.23Å; H278-Q322 WeakPolarHBondContact NE2-CG 3.49Å; H278-A326 HydrophobicContact CB-CB 4.35Å
279	C	88.9	Confident	86.7	Confident	64 Å²	64	72.1 Å²	72.1	43%	0.432	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-27.7	178.3	-72	0	0	0	0	113.4	H275	H275-C279 WeakPolarHBondContact O-CB 3.38Å; H275-C279 PolarHBondContact O-N 3.17Å; H275-C279 PolarHBondContact O-SG 3.34Å; H275-C279 VanDerWaalsContact O-SG 3.41Å
280	S	87.7	Confident	86.5	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.203	40%	0.402	C	S	.	.	H	α-helix	trans	-85.1	-16.9	178.2	67.4	0	0	0	0	113.9	K276 L277 H278 N282 K283 I284	K276-S280 WeakPolarHBondContact O-CB 3.25Å; K276-S280 PolarHBondContact O-N 3.34Å; K276-S280 PolarHBondContact O-OG 3.44Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-S280 PolarHBondContact O-OG 2.94Å; H278-S280 VanDerWaalsContact C-N 3.29Å; H278-S280 PolarHBondContact O-N 3.42Å; S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 2.85Å; S280-N282 VanDerWaalsContact O-N 3.15Å; S280-K283 WeakPolarHBondContact O-CA 3.2Å; S280-K283 WeakPolarHBondContact O-CB 3.43Å; S280-K283 PolarHBondContact O-N 3.18Å; S280-I284 PolarHBondContact O-N 3.45Å
281	F	81	Confident	86.5	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.4	-176.2	-175.2	-100.4	0	0	0	113.4	L277 H278 K283 I284 T288 R292 F325 A328 T329	L277-F281 PolarHBondContact O-N 3.48Å; L277-F281 VanDerWaalsContact O-N 3.14Å; H278-F281 PolarHBondContact O-N 3.23Å; F281-K283 VanDerWaalsContact C-N 3.27Å; F281-K283 PolarHBondContact O-N 3.31Å; F281-I284 PolarHBondContact O-N 3.24Å; F281-T288 HydrophobicContact CD2-CG2 3.97Å; F281-T288 VanDerWaalsContact CE2-CB 3.47Å; F281-T288 HydrophobicContact CE2-CG2 3.71Å; F281-R292 HydrophobicContact CE1-CB 4.09Å; F281-R292 HydrophobicContact CE1-CG 4.14Å; F281-R292 HydrophobicContact CZ-CB 3.86Å; F281-R292 HydrophobicContact CZ-CG 4.41Å; F281-R292 PolarHBondContact O-NH2 3.03Å; F281-R292 VanDerWaalsContact O-NH2 3.16Å; F281-F325 HydrophobicContact CB-CB 4.18Å; F281-F325 HydrophobicContact CD1-CB 3.76Å; F281-F325 AromaticContact CD1-CD1 3.97Å; F281-F325 HydrophobicContact CD1-CD1 3.97Å; F281-F325 AromaticContact CD1-CD2 3.28Å; F281-F325 HydrophobicContact CD1-CD2 3.28Å; F281-F325 HydrophobicContact CD1-CE1 4.39Å; F281-F325 AromaticContact CD1-CE2 3.77Å; F281-F325 HydrophobicContact CD1-CE2 3.77Å; F281-F325 AromaticContact CD1-CG 3.4Å; F281-F325 HydrophobicContact CD1-CG 3.4Å; F281-F325 HydrophobicContact CD1-CZ 4.3Å; F281-F325 HydrophobicContact CD2-CB 3.75Å; F281-F325 HydrophobicContact CD2-CG 4.13Å; F281-F325 VanDerWaalsContact CD2-O 3.25Å; F281-F325 WeakPolarHBondContact CD2-O 3.44Å; F281-F325 HydrophobicContact CE1-CB 4.01Å; F281-F325 AromaticContact CE1-CD1 3.33Å; F281-F325 HydrophobicContact CE1-CD1 3.33Å; F281-F325 AromaticContact CE1-CD2 3.4Å; F281-F325 HydrophobicContact CE1-CD2 3.4Å; F281-F325 AromaticContact CE1-CE1 3.49Å; F281-F325 HydrophobicContact CE1-CE1 3.49Å; F281-F325 VanDerWaalsContact CE1-CE1 3.49Å; F281-F325 AromaticContact CE1-CE2 3.54Å; F281-F325 HydrophobicContact CE1-CE2 3.54Å; F281-F325 AromaticContact CE1-CG 3.29Å; F281-F325 HydrophobicContact CE1-CG 3.29Å; F281-F325 AromaticContact CE1-CZ 3.6Å; F281-F325 HydrophobicContact CE1-CZ 3.6Å; F281-F325 HydrophobicContact CE2-CB 4Å; F281-F325 AromaticContact CE2-CD1 3.95Å; F281-F325 HydrophobicContact CE2-CD1 3.95Å; F281-F325 HydrophobicContact CE2-CG 4.03Å; F281-F325 HydrophobicContact CG-CB 3.63Å; F281-F325 HydrophobicContact CG-CD2 4.05Å; F281-F325 AromaticContact CG-CG 3.84Å; F281-F325 HydrophobicContact CG-CG 3.84Å; F281-F325 HydrophobicContact CZ-CB 4.13Å; F281-F325 AromaticContact CZ-CD1 3.32Å; F281-F325 HydrophobicContact CZ-CD1 3.32Å; F281-F325 HydrophobicContact CZ-CD2 4.22Å; F281-F325 AromaticContact CZ-CE1 3.68Å; F281-F325 HydrophobicContact CZ-CE1 3.68Å; F281-F325 HydrophobicContact CZ-CE2 4.5Å; F281-F325 AromaticContact CZ-CG 3.64Å; F281-F325 HydrophobicContact CZ-CG 3.64Å; F281-F325 HydrophobicContact CZ-CZ 4.26Å; F281-A328 HydrophobicContact CE2-CB 4.07Å; F281-T329 VanDerWaalsContact CD2-OG1 3.31Å; F281-T329 WeakPolarHBondContact CD2-OG1 3.27Å
282	N	76.3	Confident	86.6	Confident	98 Å²	98	71.6 Å²	71.6	52%	0.524	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.6	176.1	-71.9	-32.3	0	0	0	114.2	S280 R292	S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 2.85Å; S280-N282 VanDerWaalsContact O-N 3.15Å; N282-R292 PolarHBondContact OD1-NH1 2.64Å; N282-R292 PolarHBondContact OD1-NH2 3.17Å
283	K	79.4	Confident	86.5	Confident	180 Å²	180	75.5 Å²	75.5	78%	0.783	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-23.2	177.2	-57.9	-177.1	180	-177.9	0	112.2	S280 F281	S280-K283 WeakPolarHBondContact O-CA 3.2Å; S280-K283 WeakPolarHBondContact O-CB 3.43Å; S280-K283 PolarHBondContact O-N 3.18Å; F281-K283 VanDerWaalsContact C-N 3.27Å; F281-K283 PolarHBondContact O-N 3.31Å
284	I	77	Confident	86.4	Confident	69 Å²	69	77.7 Å²	77.7	35%	0.354	39%	0.388	S	S	.	.			trans	-109.8	56.1	-173.1	-43.9	172.8	0	0	0	110	S280 F281 Q286 T287 T288 T329	S280-I284 PolarHBondContact O-N 3.45Å; F281-I284 PolarHBondContact O-N 3.24Å; I284-Q286 PolarHBondContact O-N 3.38Å; I284-T287 HydrophobicContact CG2-CG2 4.48Å; I284-T287 WeakPolarHBondContact CG2-OG1 2.93Å; I284-T288 PolarHBondContact O-OG1 3.1Å; I284-T329 HydrophobicContact CD1-CG2 4.06Å
285	L	72.5	Confident	86.3	Confident	95 Å²	95	76.6 Å²	76.6	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-36.7	-172.9	-69.6	171.9	0	0	0	113.2	T288 A289	L285-T288 PolarHBondContact O-N 2.97Å; L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 3.29Å
286	Q	73	Confident	86.3	Confident	194 Å²	194	74.4 Å²	74.4	91%	0.907	38%	0.375	S	S	*	.	H	α-helix	trans	-66.2	-42.7	-172.1	-70	-178.5	-10.8	0	0	112.9	I284	I284-Q286 PolarHBondContact O-N 3.38Å
287	T	74.8	Confident	86.3	Confident	88 Å²	88	74.1 Å²	74.1	54%	0.54	38%	0.379	S	S	.	.	H	α-helix	trans	-82.4	-19.1	-178.6	60.1	0	0	0	0	113.1	I284	I284-T287 HydrophobicContact CG2-CG2 4.48Å; I284-T287 WeakPolarHBondContact CG2-OG1 2.93Å
288	T	82.2	Confident	86.3	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.006	38%	0.377	C	S	.	.	H	α-helix	trans	-109.5	-0.1	-174	63.7	0	0	0	0	114.1	F281 I284 L285 T290 S291 R292	F281-T288 HydrophobicContact CD2-CG2 3.97Å; F281-T288 VanDerWaalsContact CE2-CB 3.47Å; F281-T288 HydrophobicContact CE2-CG2 3.71Å; I284-T288 PolarHBondContact O-OG1 3.1Å; L285-T288 PolarHBondContact O-N 2.97Å; T288-T290 VanDerWaalsContact C-N 3.35Å; T288-T290 PolarHBondContact O-N 3.23Å; T288-S291 PolarHBondContact O-N 2.87Å; T288-R292 WeakPolarHBondContact O-CB 3.37Å; T288-R292 PolarHBondContact O-N 2.83Å
289	A	86.7	Confident	86.6	Confident	53 Å²	53	71.4 Å²	71.4	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-55.3	-45.7	-174.4	0	0	0	0	0	113.2	L285 R292 R293	L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 3.29Å; A289-R292 PolarHBondContact O-N 3.38Å; A289-R293 PolarHBondContact O-N 3.21Å; A289-R293 VanDerWaalsContact O-N 3.09Å
290	T	91	Very high	86.8	Confident	100 Å²	100	72.1 Å²	72.1	61%	0.613	36%	0.364	S	S	*	.	H	α-helix	trans	-63.8	-50.9	178.7	-54.5	0	0	0	0	111.1	T288 R292 R293 Q294	T288-T290 VanDerWaalsContact C-N 3.35Å; T288-T290 PolarHBondContact O-N 3.23Å; T290-R292 VanDerWaalsContact C-N 3.33Å; T290-R292 PolarHBondContact O-N 3.47Å; T290-R293 PolarHBondContact O-N 3.17Å; T290-Q294 WeakPolarHBondContact O-CG 3.49Å; T290-Q294 PolarHBondContact O-N 3.32Å
291	S	92.8	Very high	87.1	Confident	11 Å²	11	76 Å²	76	8%	0.077	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-44.1	177.7	-51.3	0	0	0	0	111.4	T288 R293 Q294 I295 G335 Y336	T288-S291 PolarHBondContact O-N 2.87Å; S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 2.82Å; S291-Q294 PolarHBondContact O-N 2.94Å; S291-I295 WeakPolarHBondContact O-CB 3.5Å; S291-I295 WeakPolarHBondContact O-CD1 3.41Å; S291-I295 WeakPolarHBondContact O-CG1 3.44Å; S291-I295 PolarHBondContact O-N 3.11Å; S291-G335 WeakPolarHBondContact OG-CA 3.21Å; S291-Y336 PolarHBondContact OG-N 3.06Å
292	R	92.7	Very high	87.7	Confident	54 Å²	54	76 Å²	76	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-56.4	-48.1	176.5	-179.4	-177.5	-66.3	-108.6	-3.5	111.6	F281 N282 T288 A289 T290 N296 F325	F281-R292 HydrophobicContact CE1-CB 4.09Å; F281-R292 HydrophobicContact CE1-CG 4.14Å; F281-R292 HydrophobicContact CZ-CB 3.86Å; F281-R292 HydrophobicContact CZ-CG 4.41Å; F281-R292 PolarHBondContact O-NH2 3.03Å; F281-R292 VanDerWaalsContact O-NH2 3.16Å; N282-R292 PolarHBondContact OD1-NH1 2.64Å; N282-R292 PolarHBondContact OD1-NH2 3.17Å; T288-R292 WeakPolarHBondContact O-CB 3.37Å; T288-R292 PolarHBondContact O-N 2.83Å; A289-R292 PolarHBondContact O-N 3.38Å; T290-R292 VanDerWaalsContact C-N 3.33Å; T290-R292 PolarHBondContact O-N 3.47Å; R292-N296 WeakPolarHBondContact O-CB 3.38Å; R292-N296 VanDerWaalsContact O-CG 3.28Å; R292-N296 PolarHBondContact O-N 2.86Å; R292-N296 VanDerWaalsContact O-N 3.08Å; R292-N296 PolarHBondContact O-ND2 3.05Å; R292-F325 HydrophobicContact CG-CE1 4.42Å; R292-F325 HydrophobicContact CG-CZ 4.25Å
293	R	93	Very high	88.4	Confident	186 Å²	186	72.1 Å²	72.1	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-49.3	178.9	-179.3	179.9	174.7	175	-0.7	110.9	A289 T290 S291 N296 L297	A289-R293 PolarHBondContact O-N 3.21Å; A289-R293 VanDerWaalsContact O-N 3.09Å; T290-R293 PolarHBondContact O-N 3.17Å; S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 2.82Å; R293-N296 PolarHBondContact O-N 3.45Å; R293-L297 HydrophobicContact CG-CD1 4.43Å; R293-L297 WeakPolarHBondContact O-CG 3.35Å; R293-L297 PolarHBondContact O-N 3.25Å
294	Q	94.6	Very high	88.9	Confident	83 Å²	83	67.3 Å²	67.3	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-43.7	-178.4	-70.2	175.9	-51.7	0	0	112.2	T290 S291 N296 L297 D298 Y336	T290-Q294 WeakPolarHBondContact O-CG 3.49Å; T290-Q294 PolarHBondContact O-N 3.32Å; S291-Q294 PolarHBondContact O-N 2.94Å; Q294-N296 PolarHBondContact O-N 3.49Å; Q294-L297 PolarHBondContact O-N 3.18Å; Q294-D298 PolarHBondContact O-N 3.23Å; Q294-D298 VanDerWaalsContact O-N 3.14Å; Q294-Y336 HydrophobicContact CB-CD1 3.56Å; Q294-Y336 HydrophobicContact CB-CE1 3.89Å
295	I	95.4	Very high	89.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.2	-50.1	175.8	-70.2	164.5	0	0	0	110	S291 L297 D298 L299 L324 F325 A328 Y336	S291-I295 WeakPolarHBondContact O-CB 3.5Å; S291-I295 WeakPolarHBondContact O-CD1 3.41Å; S291-I295 WeakPolarHBondContact O-CG1 3.44Å; S291-I295 PolarHBondContact O-N 3.11Å; I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 3.47Å; I295-D298 WeakPolarHBondContact O-CA 3.23Å; I295-D298 PolarHBondContact O-N 3.34Å; I295-L299 HydrophobicContact CG2-CD1 4.46Å; I295-L299 HydrophobicContact CG2-CD2 4.16Å; I295-L299 HydrophobicContact CG2-CG 4.17Å; I295-L299 WeakPolarHBondContact O-CG 3.44Å; I295-L299 PolarHBondContact O-N 2.94Å; I295-L324 HydrophobicContact CD1-CB 3.69Å; I295-L324 HydrophobicContact CG1-CB 4.02Å; I295-L324 HydrophobicContact CG1-CD1 4.34Å; I295-L324 HydrophobicContact CG2-CB 4.12Å; I295-L324 HydrophobicContact CG2-CD1 3.96Å; I295-F325 HydrophobicContact CB-CE1 4.03Å; I295-F325 HydrophobicContact CD1-CD1 3.65Å; I295-F325 HydrophobicContact CD1-CE1 3.94Å; I295-F325 HydrophobicContact CG2-CD1 4.14Å; I295-F325 HydrophobicContact CG2-CE1 3.7Å; I295-A328 HydrophobicContact CD1-CB 4.5Å; I295-Y336 HydrophobicContact CD1-CD2 4.13Å; I295-Y336 HydrophobicContact CD1-CG 4.12Å; I295-Y336 HydrophobicContact CG1-CD1 3.94Å; I295-Y336 HydrophobicContact CG1-CD2 3.5Å; I295-Y336 HydrophobicContact CG1-CE1 4.35Å; I295-Y336 HydrophobicContact CG1-CE2 3.96Å; I295-Y336 HydrophobicContact CG1-CG 3.48Å; I295-Y336 VanDerWaalsContact CG1-CG 3.48Å
296	N	93.4	Very high	90.6	Very high	72 Å²	72	62.9 Å²	62.9	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-33.4	-178.8	-74.1	-22.7	0	0	0	113.4	R292 R293 Q294 D298 Q321	R292-N296 WeakPolarHBondContact O-CB 3.38Å; R292-N296 VanDerWaalsContact O-CG 3.28Å; R292-N296 PolarHBondContact O-N 2.86Å; R292-N296 VanDerWaalsContact O-N 3.08Å; R292-N296 PolarHBondContact O-ND2 3.05Å; R293-N296 PolarHBondContact O-N 3.45Å; Q294-N296 PolarHBondContact O-N 3.49Å; N296-D298 VanDerWaalsContact C-N 3.27Å; N296-Q321 PolarHBondContact OD1-NE2 3.47Å
297	L	94.7	Very high	91.5	Very high	114 Å²	114	56.5 Å²	56.5	60%	0.597	29%	0.292	S	S	*	.	H	α-helix	trans	-68.4	-28.8	173.5	-67.9	172	0	0	0	112.3	R293 Q294 I295	R293-L297 HydrophobicContact CG-CD1 4.43Å; R293-L297 WeakPolarHBondContact O-CG 3.35Å; R293-L297 PolarHBondContact O-N 3.25Å; Q294-L297 PolarHBondContact O-N 3.18Å; I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 3.47Å
298	D	95.6	Very high	92.4	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.043	29%	0.287	C	S	.	.	H	α-helix	trans	-91.8	-26.9	-172.8	-71.3	8.1	0	0	0	113.3	Q294 I295 N296 M300 R301 T302 Y336 N341	Q294-D298 PolarHBondContact O-N 3.23Å; Q294-D298 VanDerWaalsContact O-N 3.14Å; I295-D298 WeakPolarHBondContact O-CA 3.23Å; I295-D298 PolarHBondContact O-N 3.34Å; N296-D298 VanDerWaalsContact C-N 3.27Å; D298-M300 PolarHBondContact O-N 3.21Å; D298-R301 VanDerWaalsContact O-CG 3.23Å; D298-R301 WeakPolarHBondContact O-CG 3.5Å; D298-R301 PolarHBondContact O-N 3.28Å; D298-R301 IonicContact OD1-CZ 3.11Å; D298-R301 IonicContact OD1-NE 3.77Å; D298-R301 PolarHBondContact OD1-NE 3.4Å; D298-R301 IonicContact OD1-NH2 2.77Å; D298-R301 PolarHBondContact OD1-NH2 3.46Å; D298-R301 IonicContact OD2-CZ 3.31Å; D298-R301 IonicContact OD2-NH2 3.56Å; D298-R301 PolarHBondContact OD2-NH2 3.1Å; D298-R301 VanDerWaalsContact OD2-NH2 3.08Å; D298-T302 PolarHBondContact O-N 3.22Å; D298-T302 VanDerWaalsContact O-N 3.11Å; D298-T302 PolarHBondContact O-OG1 2.79Å; D298-Y336 VanDerWaalsContact CB-OH 3.29Å; D298-Y336 WeakPolarHBondContact CB-OH 3.25Å; D298-Y336 VanDerWaalsContact CG-OH 3.29Å; D298-Y336 WeakPolarHBondContact OD2-CE1 3.25Å; D298-Y336 PolarHBondContact OD2-OH 2.7Å; D298-N341 HydrophobicContact CB-CB 4.41Å
299	L	95.3	Very high	93.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-50.9	-53.2	-176.8	-73.3	177	0	0	0	112.9	I295 R301 T302 F312 V317 L320 Q321	I295-L299 HydrophobicContact CG2-CD1 4.46Å; I295-L299 HydrophobicContact CG2-CD2 4.16Å; I295-L299 HydrophobicContact CG2-CG 4.17Å; I295-L299 WeakPolarHBondContact O-CG 3.44Å; I295-L299 PolarHBondContact O-N 2.94Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.04Å; L299-T302 PolarHBondContact O-N 3Å; L299-F312 HydrophobicContact CD1-CE2 4.49Å; L299-V317 HydrophobicContact CB-CG1 4.14Å; L299-V317 HydrophobicContact CD1-CG1 4.34Å; L299-V317 HydrophobicContact CD2-CG1 4.41Å; L299-L320 HydrophobicContact CD2-CB 4.24Å; L299-L320 HydrophobicContact CD2-CD2 3.86Å; L299-L320 HydrophobicContact CD2-CG 3.86Å; L299-Q321 HydrophobicContact CD1-CB 3.95Å; L299-Q321 HydrophobicContact CD1-CG 4.04Å; L299-Q321 HydrophobicContact CD2-CB 4.02Å
300	M	93.4	Very high	93.2	Very high	79 Å²	79	57.4 Å²	57.4	39%	0.389	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.6	-174.1	-66.5	-52.1	-53.3	0	0	114.3	D298 F312	D298-M300 PolarHBondContact O-N 3.21Å; M300-F312 HydrophobicContact CG-CD2 4.47Å; M300-F312 VanDerWaalsContact SD-CA 3.51Å; M300-F312 HydrophobicContact SD-CB 3.79Å; M300-F312 HydrophobicContact SD-CD2 4.04Å; M300-F312 HydrophobicContact SD-CG 4.44Å; M300-F312 PolarHBondContact SD-N 3.31Å
301	R	93.3	Very high	93.3	Very high	111 Å²	111	55.9 Å²	55.9	42%	0.419	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.8	174.2	64.7	-179.1	-169.4	121.6	-5.5	112.9	D298 L299 Q338	D298-R301 VanDerWaalsContact O-CG 3.23Å; D298-R301 WeakPolarHBondContact O-CG 3.5Å; D298-R301 PolarHBondContact O-N 3.28Å; D298-R301 IonicContact OD1-CZ 3.11Å; D298-R301 IonicContact OD1-NE 3.77Å; D298-R301 PolarHBondContact OD1-NE 3.4Å; D298-R301 IonicContact OD1-NH2 2.77Å; D298-R301 PolarHBondContact OD1-NH2 3.46Å; D298-R301 IonicContact OD2-CZ 3.31Å; D298-R301 IonicContact OD2-NH2 3.56Å; D298-R301 PolarHBondContact OD2-NH2 3.1Å; D298-R301 VanDerWaalsContact OD2-NH2 3.08Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.04Å; R301-Q338 VanDerWaalsContact NH2-NE2 3.13Å
302	T	93.9	Very high	93.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-92.2	114.6	179.1	-55.7	0	0	0	0	110.2	D298 L299 L320 N341 F342 A345	D298-T302 PolarHBondContact O-N 3.22Å; D298-T302 VanDerWaalsContact O-N 3.11Å; D298-T302 PolarHBondContact O-OG1 2.79Å; L299-T302 PolarHBondContact O-N 3Å; T302-L320 HydrophobicContact CG2-CD2 3.9Å; T302-N341 HydrophobicContact CG2-CB 4.2Å; T302-N341 WeakPolarHBondContact CG2-O 3.28Å; T302-N341 PolarHBondContact OG1-ND2 2.88Å; T302-F342 HydrophobicContact CG2-CD1 4.04Å; T302-F342 HydrophobicContact CG2-CE1 4.48Å; T302-A345 HydrophobicContact CG2-CB 3.42Å; T302-A345 VanDerWaalsContact CG2-CB 3.42Å
303	M	91.9	Very high	93.1	Very high	16 Å²	16	64.6 Å²	64.6	8%	0.079	32%	0.316	C	S	.	.	S	Bend	trans	49.4	50.6	-178.7	-65.5	-179.4	54.9	0	0	113.8	F185 N305 N306 F309 A345 V346 L349	F185-M303 HydrophobicContact CD1-CE 4.49Å; F185-M303 HydrophobicContact CE1-CE 3.44Å; F185-M303 VanDerWaalsContact CE1-CE 3.44Å; F185-M303 HydrophobicContact CE1-CG 4.5Å; F185-M303 HydrophobicContact CE2-CE 4.17Å; F185-M303 HydrophobicContact CZ-CE 3.23Å; F185-M303 HydrophobicContact CZ-SD 4.49Å; M303-N305 PolarHBondContact O-N 3.3Å; M303-N305 VanDerWaalsContact O-N 3.09Å; M303-N306 HydrophobicContact CB-CB 4.04Å; M303-N306 HydrophobicContact CE-CB 3.64Å; M303-N306 WeakPolarHBondContact O-CB 3.23Å; M303-N306 PolarHBondContact O-N 3.45Å; M303-F309 HydrophobicContact CB-CB 4.47Å; M303-F309 HydrophobicContact CB-CD2 4.18Å; M303-F309 HydrophobicContact CB-CG 4.4Å; M303-F309 HydrophobicContact CE-CD2 4.33Å; M303-F309 HydrophobicContact CE-CE2 4.23Å; M303-F309 HydrophobicContact SD-CE2 4.37Å; M303-A345 HydrophobicContact CG-CB 4.24Å; M303-A345 HydrophobicContact SD-CB 3.61Å; M303-V346 HydrophobicContact SD-CG2 4.14Å; M303-L349 HydrophobicContact CE-CD1 3.53Å; M303-L349 HydrophobicContact CE-CG 4.33Å
304	P	90.3	Very high	93.2	Very high	79 Å²	79	56.6 Å²	56.6	51%	0.513	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23	-172.5	27.7	-36.2	0	0	0	113.5
305	N	89.8	Confident	93.2	Very high	71 Å²	71	59 Å²	59	38%	0.38	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.9	175.9	64.8	-23.7	0	0	0	113.4	F185 I186 M303	F185-N305 CarbonylContact C-O 3.43Å; F185-N305 WeakPolarHBondContact CA-O 3.49Å; F185-N305 WeakPolarHBondContact CD1-OD1 3.4Å; I186-N305 WeakPolarHBondContact CB-O 3.29Å; I186-N305 WeakPolarHBondContact CG1-O 3.28Å; I186-N305 PolarHBondContact N-O 3.35Å; M303-N305 PolarHBondContact O-N 3.3Å; M303-N305 VanDerWaalsContact O-N 3.09Å
306	N	94	Very high	93.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-95.7	130.7	177.1	-171.6	-73.2	0	0	0	111.2	Y183 G184 F185 M303 H308 F309 V310	Y183-N306 PolarHBondContact O-ND2 3.47Å; G184-N306 CarbonylContact O-C 3.52Å; G184-N306 WeakPolarHBondContact O-CA 3.46Å; F185-N306 HydrophobicContact CD1-CB 3.91Å; F185-N306 HydrophobicContact CE1-CB 4.03Å; F185-N306 HydrophobicContact CG-CB 4.5Å; M303-N306 HydrophobicContact CB-CB 4.04Å; M303-N306 HydrophobicContact CE-CB 3.64Å; M303-N306 WeakPolarHBondContact O-CB 3.23Å; M303-N306 PolarHBondContact O-N 3.45Å; N306-H308 PolarHBondContact O-N 2.95Å; N306-H308 WeakPolarHBondContact OD1-CB 3.42Å; N306-H308 PolarHBondContact OD1-CD2 3.03Å; N306-H308 PolarHBondContact OD1-N 3.11Å; N306-F309 HydrophobicContact CB-CD2 4.04Å; N306-F309 PolarHBondContact O-N 3.42Å; N306-V310 VanDerWaalsContact O-CG2 3.23Å; N306-V310 WeakPolarHBondContact O-CG2 3.43Å; N306-V310 PolarHBondContact O-N 3.14Å
307	T	93.5	Very high	93.4	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.362	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.7	-177.8	50.8	0	0	0	0	114.1	T180 G184 I186 F309	T180-T307 HydrophobicContact CG2-CG2 3.69Å; G184-T307 WeakPolarHBondContact CA-OG1 3.47Å; G184-T307 WeakPolarHBondContact O-CG2 3.12Å; G184-T307 PolarHBondContact O-N 3.29Å; G184-T307 PolarHBondContact O-OG1 3.01Å; I186-T307 HydrophobicContact CD1-CG2 4.12Å; I186-T307 HydrophobicContact CG1-CG2 3.86Å; T307-F309 VanDerWaalsContact C-N 3.33Å
308	H	93.4	Very high	93.4	Very high	94 Å²	94	56 Å²	56	44%	0.435	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15	176.7	-64.1	-71.4	0	0	0	114.2	N306 S314 G316 L349	N306-H308 PolarHBondContact O-N 2.95Å; N306-H308 WeakPolarHBondContact OD1-CB 3.42Å; N306-H308 PolarHBondContact OD1-CD2 3.03Å; N306-H308 PolarHBondContact OD1-N 3.11Å; H308-S314 WeakPolarHBondContact O-CB 3.35Å; H308-G316 WeakPolarHBondContact O-CA 3.26Å; H308-G316 PolarHBondContact O-N 3.19Å; H308-L349 HydrophobicContact CB-CD2 4.31Å; H308-L349 VanDerWaalsContact CD2-CD2 3.48Å; H308-L349 WeakPolarHBondContact CD2-CD2 3.26Å
309	F	95.4	Very high	93.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	0.7	-170.9	-61	-86	0	0	0	114.8	M303 N306 T307 T311 G316 V317 L320 A345 L348 L349	M303-F309 HydrophobicContact CB-CB 4.47Å; M303-F309 HydrophobicContact CB-CD2 4.18Å; M303-F309 HydrophobicContact CB-CG 4.4Å; M303-F309 HydrophobicContact CE-CD2 4.33Å; M303-F309 HydrophobicContact CE-CE2 4.23Å; M303-F309 HydrophobicContact SD-CE2 4.37Å; N306-F309 HydrophobicContact CB-CD2 4.04Å; N306-F309 PolarHBondContact O-N 3.42Å; T307-F309 VanDerWaalsContact C-N 3.33Å; F309-T311 VanDerWaalsContact C-N 3.35Å; F309-T311 PolarHBondContact O-N 3.48Å; F309-G316 VanDerWaalsContact CE1-C 3.42Å; F309-G316 WeakPolarHBondContact CE1-O 3.42Å; F309-V317 HydrophobicContact CB-CG2 4.27Å; F309-V317 HydrophobicContact CD1-CG2 4.23Å; F309-V317 WeakPolarHBondContact O-CG2 3.48Å; F309-L320 HydrophobicContact CD1-CD2 4.4Å; F309-L320 HydrophobicContact CE1-CB 4.19Å; F309-L320 HydrophobicContact CE1-CD2 4.23Å; F309-A345 HydrophobicContact CE1-CB 3.91Å; F309-A345 HydrophobicContact CE2-CB 4.35Å; F309-A345 HydrophobicContact CZ-CB 3.79Å; F309-A345 WeakPolarHBondContact CZ-O 3.36Å; F309-L348 HydrophobicContact CE1-CD1 4.45Å; F309-L348 HydrophobicContact CZ-CB 4.24Å; F309-L348 HydrophobicContact CZ-CD1 4.44Å; F309-L349 HydrophobicContact CE2-CD2 3.97Å; F309-L349 HydrophobicContact CE2-CG 4.45Å
310	V	90.5	Very high	93.6	Very high	66 Å²	66	57.8 Å²	57.8	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-55.8	-40.3	-173	-177.4	0	0	0	0	114.6	I186 N306	I186-V310 HydrophobicContact CD1-CG2 4.04Å; N306-V310 VanDerWaalsContact O-CG2 3.23Å; N306-V310 WeakPolarHBondContact O-CG2 3.43Å; N306-V310 PolarHBondContact O-N 3.14Å
311	T	91.8	Very high	93.8	Very high	67 Å²	67	56.3 Å²	56.3	41%	0.411	28%	0.275	S	S	.	.	S	Bend	trans	-122.8	155.6	-174	75.1	0	0	0	0	110.8	F309 H313 S314 V317	F309-T311 VanDerWaalsContact C-N 3.35Å; F309-T311 PolarHBondContact O-N 3.48Å; T311-H313 PolarHBondContact O-N 3.4Å; T311-H313 VanDerWaalsContact O-N 3.08Å; T311-H313 PolarHBondContact OG1-N 3.4Å; T311-S314 PolarHBondContact N-OG 2.95Å; T311-S314 VanDerWaalsContact O-CB 3.23Å; T311-S314 WeakPolarHBondContact O-CB 3.14Å; T311-S314 PolarHBondContact O-N 3.41Å; T311-S314 PolarHBondContact O-OG 3.03Å; T311-S314 PolarHBondContact OG1-N 2.96Å; T311-S314 VanDerWaalsContact OG1-N 3.15Å; T311-S314 PolarHBondContact OG1-OG 2.98Å; T311-V317 WeakPolarHBondContact O-CG2 3.38Å
312	F	90.8	Very high	93.9	Very high	104 Å²	104	54 Å²	54	46%	0.456	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30	175	-173.4	-100.4	0	0	0	112.9	L299 M300	L299-F312 HydrophobicContact CD1-CE2 4.49Å; M300-F312 HydrophobicContact CG-CD2 4.47Å; M300-F312 VanDerWaalsContact SD-CA 3.51Å; M300-F312 HydrophobicContact SD-CB 3.79Å; M300-F312 HydrophobicContact SD-CD2 4.04Å; M300-F312 HydrophobicContact SD-CG 4.44Å; M300-F312 PolarHBondContact SD-N 3.31Å
313	H	91.1	Very high	94.2	Very high	144 Å²	144	54 Å²	54	67%	0.667	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	8.4	178.4	-54.3	100.3	0	0	0	113.2	T311 R318	T311-H313 PolarHBondContact O-N 3.4Å; T311-H313 VanDerWaalsContact O-N 3.08Å; T311-H313 PolarHBondContact OG1-N 3.4Å; H313-R318 PolarHBondContact O-NH1 3.43Å
314	S	94.4	Very high	94.4	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.133	27%	0.266	C	S	.	.	S	Bend	trans	-69.5	146.3	174.1	-63.8	0	0	0	0	110.3	H308 T311 G316 V317 R318	H308-S314 WeakPolarHBondContact O-CB 3.35Å; T311-S314 PolarHBondContact N-OG 2.95Å; T311-S314 VanDerWaalsContact O-CB 3.23Å; T311-S314 WeakPolarHBondContact O-CB 3.14Å; T311-S314 PolarHBondContact O-N 3.41Å; T311-S314 PolarHBondContact O-OG 3.03Å; T311-S314 PolarHBondContact OG1-N 2.96Å; T311-S314 VanDerWaalsContact OG1-N 3.15Å; T311-S314 PolarHBondContact OG1-OG 2.98Å; S314-G316 VanDerWaalsContact C-N 3.26Å; S314-G316 PolarHBondContact O-N 2.91Å; S314-V317 PolarHBondContact O-N 3.09Å; S314-R318 PolarHBondContact O-N 3.4Å
315	K	94.8	Very high	94.7	Very high	133 Å²	133	50.1 Å²	50.1	58%	0.578	24%	0.244	S	C	*	.	H	α-helix	trans	-56.7	-41.6	-179.8	-178.3	-175.6	171.7	-175.1	0	111.6	R318 Q319	K315-R318 PolarHBondContact O-N 3.41Å; K315-Q319 HydrophobicContact CG-CG 4.44Å; K315-Q319 WeakPolarHBondContact O-CG 3.48Å; K315-Q319 PolarHBondContact O-N 3.14Å
316	G	96.1	Very high	95	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.7	179.1	0	0	0	0	0	112.5	H308 F309 S314 R318 Q319 L320	H308-G316 WeakPolarHBondContact O-CA 3.26Å; H308-G316 PolarHBondContact O-N 3.19Å; F309-G316 VanDerWaalsContact CE1-C 3.42Å; F309-G316 WeakPolarHBondContact CE1-O 3.42Å; S314-G316 VanDerWaalsContact C-N 3.26Å; S314-G316 PolarHBondContact O-N 2.91Å; G316-R318 PolarHBondContact O-N 3.18Å; G316-Q319 PolarHBondContact O-N 3.22Å; G316-L320 VanDerWaalsContact O-CB 3.27Å; G316-L320 WeakPolarHBondContact O-CB 3.49Å; G316-L320 PolarHBondContact O-N 3.3Å
317	V	96.9	Very high	95.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-44.4	176.4	179.4	0	0	0	0	111.7	L299 F309 T311 S314 L320 Q321	L299-V317 HydrophobicContact CB-CG1 4.14Å; L299-V317 HydrophobicContact CD1-CG1 4.34Å; L299-V317 HydrophobicContact CD2-CG1 4.41Å; F309-V317 HydrophobicContact CB-CG2 4.27Å; F309-V317 HydrophobicContact CD1-CG2 4.23Å; F309-V317 WeakPolarHBondContact O-CG2 3.48Å; T311-V317 WeakPolarHBondContact O-CG2 3.38Å; S314-V317 PolarHBondContact O-N 3.09Å; V317-L320 PolarHBondContact O-N 2.99Å; V317-Q321 PolarHBondContact O-N 3.08Å
318	R	95.8	Very high	95.2	Very high	119 Å²	119	44 Å²	44	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-47.1	175.9	-71.2	-163.8	-62.8	-84.9	-4.3	111.9	H313 S314 K315 G316 L320 Q321 Q322	H313-R318 PolarHBondContact O-NH1 3.43Å; S314-R318 PolarHBondContact O-N 3.4Å; K315-R318 PolarHBondContact O-N 3.41Å; G316-R318 PolarHBondContact O-N 3.18Å; R318-L320 VanDerWaalsContact C-N 3.33Å; R318-L320 PolarHBondContact O-N 2.83Å; R318-Q321 PolarHBondContact O-N 3.18Å; R318-Q322 WeakPolarHBondContact O-CG 3.2Å; R318-Q322 PolarHBondContact O-N 2.68Å
319	Q	97.6	Very high	95.2	Very high	46 Å²	46	40.5 Å²	40.5	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-39.3	179	-70.9	-179.3	-62.2	0	0	111.7	K315 G316 Q322 V323 L348 A353	K315-Q319 HydrophobicContact CG-CG 4.44Å; K315-Q319 WeakPolarHBondContact O-CG 3.48Å; K315-Q319 PolarHBondContact O-N 3.14Å; G316-Q319 PolarHBondContact O-N 3.22Å; Q319-Q322 WeakPolarHBondContact O-CB 3.31Å; Q319-Q322 PolarHBondContact O-N 3.2Å; Q319-V323 VanDerWaalsContact O-CG2 3.29Å; Q319-V323 WeakPolarHBondContact O-CG2 3.12Å; Q319-V323 PolarHBondContact O-N 3.08Å; Q319-L348 HydrophobicContact CB-CD1 4.08Å; Q319-L348 HydrophobicContact CB-CD2 3.84Å; Q319-A353 HydrophobicContact CB-CB 4.37Å; Q319-A353 HydrophobicContact CG-CB 4.45Å
320	L	98	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-47.2	174.7	-178.9	61.8	0	0	0	111.3	L299 T302 F309 G316 V317 R318 Q322 V323 L324 A344 A345 L348	L299-L320 HydrophobicContact CD2-CB 4.24Å; L299-L320 HydrophobicContact CD2-CD2 3.86Å; L299-L320 HydrophobicContact CD2-CG 3.86Å; T302-L320 HydrophobicContact CG2-CD2 3.9Å; F309-L320 HydrophobicContact CD1-CD2 4.4Å; F309-L320 HydrophobicContact CE1-CB 4.19Å; F309-L320 HydrophobicContact CE1-CD2 4.23Å; G316-L320 VanDerWaalsContact O-CB 3.27Å; G316-L320 WeakPolarHBondContact O-CB 3.49Å; G316-L320 PolarHBondContact O-N 3.3Å; V317-L320 PolarHBondContact O-N 2.99Å; R318-L320 VanDerWaalsContact C-N 3.33Å; R318-L320 PolarHBondContact O-N 2.83Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.39Å; L320-V323 PolarHBondContact O-N 3.05Å; L320-L324 HydrophobicContact CD1-CD1 3.82Å; L320-L324 HydrophobicContact CD1-CG 4.08Å; L320-L324 HydrophobicContact CG-CD1 3.88Å; L320-L324 HydrophobicContact CG-CG 4.48Å; L320-L324 WeakPolarHBondContact O-CB 3.42Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 2.88Å; L320-L324 PolarHBondContact O-N 3.31Å; L320-A344 HydrophobicContact CD1-CB 3.52Å; L320-A345 HydrophobicContact CD1-CB 4.33Å; L320-A345 HydrophobicContact CD2-CB 4.31Å; L320-L348 HydrophobicContact CB-CD1 3.88Å; L320-L348 HydrophobicContact CD1-CD1 4.27Å
321	Q	96.4	Very high	95.3	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-45.2	175.5	-173.2	-179.3	64.3	0	0	111.5	N296 L299 V317 R318 V323 L324 F325	N296-Q321 PolarHBondContact OD1-NE2 3.47Å; L299-Q321 HydrophobicContact CD1-CB 3.95Å; L299-Q321 HydrophobicContact CD1-CG 4.04Å; L299-Q321 HydrophobicContact CD2-CB 4.02Å; V317-Q321 PolarHBondContact O-N 3.08Å; R318-Q321 PolarHBondContact O-N 3.18Å; Q321-V323 PolarHBondContact O-N 3.47Å; Q321-L324 PolarHBondContact O-N 3.18Å; Q321-F325 HydrophobicContact CG-CD1 4.29Å; Q321-F325 HydrophobicContact CG-CD2 3.8Å; Q321-F325 HydrophobicContact CG-CE1 3.95Å; Q321-F325 HydrophobicContact CG-CE2 3.42Å; Q321-F325 VanDerWaalsContact CG-CE2 3.42Å; Q321-F325 HydrophobicContact CG-CG 4.23Å; Q321-F325 HydrophobicContact CG-CZ 3.5Å; Q321-F325 VanDerWaalsContact CG-CZ 3.5Å; Q321-F325 VanDerWaalsContact O-CB 3.24Å; Q321-F325 WeakPolarHBondContact O-CB 3.43Å; Q321-F325 WeakPolarHBondContact O-CG 3.43Å; Q321-F325 PolarHBondContact O-N 2.87Å
322	Q	96.6	Very high	95.3	Very high	63 Å²	63	39.5 Å²	39.5	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-59	-46.2	178.3	-70.2	173.5	-17.6	0	0	112.2	F274 H278 R318 Q319 L320 A326	F274-Q322 HydrophobicContact CZ-CB 4.17Å; H278-Q322 WeakPolarHBondContact NE2-CG 3.49Å; R318-Q322 WeakPolarHBondContact O-CG 3.2Å; R318-Q322 PolarHBondContact O-N 2.68Å; Q319-Q322 WeakPolarHBondContact O-CB 3.31Å; Q319-Q322 PolarHBondContact O-N 3.2Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.39Å; Q322-A326 VanDerWaalsContact O-CB 3.31Å; Q322-A326 WeakPolarHBondContact O-CB 3.42Å; Q322-A326 PolarHBondContact O-N 3.29Å
323	V	98.2	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-51.8	178.6	168.3	0	0	0	0	111.3	F274 Q319 L320 Q321 F325 A326 F327 A344 L348 A353 T356 F357 L360	F274-V323 HydrophobicContact CE2-CG2 4.33Å; F274-V323 HydrophobicContact CZ-CG2 4.35Å; Q319-V323 VanDerWaalsContact O-CG2 3.29Å; Q319-V323 WeakPolarHBondContact O-CG2 3.12Å; Q319-V323 PolarHBondContact O-N 3.08Å; L320-V323 PolarHBondContact O-N 3.05Å; Q321-V323 PolarHBondContact O-N 3.47Å; V323-F325 VanDerWaalsContact C-N 3.34Å; V323-F325 PolarHBondContact O-N 2.92Å; V323-A326 PolarHBondContact O-N 3.32Å; V323-F327 WeakPolarHBondContact O-CB 3.43Å; V323-F327 PolarHBondContact O-N 3.26Å; V323-A344 HydrophobicContact CG1-CB 4.19Å; V323-L348 HydrophobicContact CG2-CD2 4.49Å; V323-A353 HydrophobicContact CG2-CB 3.99Å; V323-A353 VanDerWaalsContact CG2-O 3.24Å; V323-A353 WeakPolarHBondContact CG2-O 3.47Å; V323-T356 HydrophobicContact CG1-CG2 3.84Å; V323-T356 HydrophobicContact CG2-CG2 4.24Å; V323-F357 HydrophobicContact CG1-CB 4.4Å; V323-L360 HydrophobicContact CG1-CD1 3.71Å; V323-L360 HydrophobicContact CG1-CG 4.48Å
324	L	97.1	Very high	95.2	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-36.2	-176.7	-64.2	173.7	0	0	0	111.7	I295 L320 Q321 A328 Y336 M340 N341 A344 L360	I295-L324 HydrophobicContact CD1-CB 3.69Å; I295-L324 HydrophobicContact CG1-CB 4.02Å; I295-L324 HydrophobicContact CG1-CD1 4.34Å; I295-L324 HydrophobicContact CG2-CB 4.12Å; I295-L324 HydrophobicContact CG2-CD1 3.96Å; L320-L324 HydrophobicContact CD1-CD1 3.82Å; L320-L324 HydrophobicContact CD1-CG 4.08Å; L320-L324 HydrophobicContact CG-CD1 3.88Å; L320-L324 HydrophobicContact CG-CG 4.48Å; L320-L324 WeakPolarHBondContact O-CB 3.42Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 2.88Å; L320-L324 PolarHBondContact O-N 3.31Å; Q321-L324 PolarHBondContact O-N 3.18Å; L324-A328 WeakPolarHBondContact O-CB 3.4Å; L324-A328 PolarHBondContact O-N 3.32Å; L324-Y336 HydrophobicContact CD1-CE2 3.99Å; L324-Y336 HydrophobicContact CD2-CD2 4.14Å; L324-Y336 HydrophobicContact CD2-CE2 4Å; L324-M340 HydrophobicContact CD2-CB 4.15Å; L324-N341 HydrophobicContact CD1-CB 4.21Å; L324-A344 HydrophobicContact CD2-CB 4.28Å; L324-L360 HydrophobicContact CD2-CD1 4.04Å
325	F	96.2	Very high	95.2	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-46.2	173	-75.3	-0.2	0	0	0	111.9	F281 R292 I295 Q321 V323 F327 A328 T329	F281-F325 HydrophobicContact CB-CB 4.18Å; F281-F325 HydrophobicContact CD1-CB 3.76Å; F281-F325 AromaticContact CD1-CD1 3.97Å; F281-F325 HydrophobicContact CD1-CD1 3.97Å; F281-F325 AromaticContact CD1-CD2 3.28Å; F281-F325 HydrophobicContact CD1-CD2 3.28Å; F281-F325 HydrophobicContact CD1-CE1 4.39Å; F281-F325 AromaticContact CD1-CE2 3.77Å; F281-F325 HydrophobicContact CD1-CE2 3.77Å; F281-F325 AromaticContact CD1-CG 3.4Å; F281-F325 HydrophobicContact CD1-CG 3.4Å; F281-F325 HydrophobicContact CD1-CZ 4.3Å; F281-F325 HydrophobicContact CD2-CB 3.75Å; F281-F325 HydrophobicContact CD2-CG 4.13Å; F281-F325 VanDerWaalsContact CD2-O 3.25Å; F281-F325 WeakPolarHBondContact CD2-O 3.44Å; F281-F325 HydrophobicContact CE1-CB 4.01Å; F281-F325 AromaticContact CE1-CD1 3.33Å; F281-F325 HydrophobicContact CE1-CD1 3.33Å; F281-F325 AromaticContact CE1-CD2 3.4Å; F281-F325 HydrophobicContact CE1-CD2 3.4Å; F281-F325 AromaticContact CE1-CE1 3.49Å; F281-F325 HydrophobicContact CE1-CE1 3.49Å; F281-F325 VanDerWaalsContact CE1-CE1 3.49Å; F281-F325 AromaticContact CE1-CE2 3.54Å; F281-F325 HydrophobicContact CE1-CE2 3.54Å; F281-F325 AromaticContact CE1-CG 3.29Å; F281-F325 HydrophobicContact CE1-CG 3.29Å; F281-F325 AromaticContact CE1-CZ 3.6Å; F281-F325 HydrophobicContact CE1-CZ 3.6Å; F281-F325 HydrophobicContact CE2-CB 4Å; F281-F325 AromaticContact CE2-CD1 3.95Å; F281-F325 HydrophobicContact CE2-CD1 3.95Å; F281-F325 HydrophobicContact CE2-CG 4.03Å; F281-F325 HydrophobicContact CG-CB 3.63Å; F281-F325 HydrophobicContact CG-CD2 4.05Å; F281-F325 AromaticContact CG-CG 3.84Å; F281-F325 HydrophobicContact CG-CG 3.84Å; F281-F325 HydrophobicContact CZ-CB 4.13Å; F281-F325 AromaticContact CZ-CD1 3.32Å; F281-F325 HydrophobicContact CZ-CD1 3.32Å; F281-F325 HydrophobicContact CZ-CD2 4.22Å; F281-F325 AromaticContact CZ-CE1 3.68Å; F281-F325 HydrophobicContact CZ-CE1 3.68Å; F281-F325 HydrophobicContact CZ-CE2 4.5Å; F281-F325 AromaticContact CZ-CG 3.64Å; F281-F325 HydrophobicContact CZ-CG 3.64Å; F281-F325 HydrophobicContact CZ-CZ 4.26Å; R292-F325 HydrophobicContact CG-CE1 4.42Å; R292-F325 HydrophobicContact CG-CZ 4.25Å; I295-F325 HydrophobicContact CB-CE1 4.03Å; I295-F325 HydrophobicContact CD1-CD1 3.65Å; I295-F325 HydrophobicContact CD1-CE1 3.94Å; I295-F325 HydrophobicContact CG2-CD1 4.14Å; I295-F325 HydrophobicContact CG2-CE1 3.7Å; Q321-F325 HydrophobicContact CG-CD1 4.29Å; Q321-F325 HydrophobicContact CG-CD2 3.8Å; Q321-F325 HydrophobicContact CG-CE1 3.95Å; Q321-F325 HydrophobicContact CG-CE2 3.42Å; Q321-F325 VanDerWaalsContact CG-CE2 3.42Å; Q321-F325 HydrophobicContact CG-CG 4.23Å; Q321-F325 HydrophobicContact CG-CZ 3.5Å; Q321-F325 VanDerWaalsContact CG-CZ 3.5Å; Q321-F325 VanDerWaalsContact O-CB 3.24Å; Q321-F325 WeakPolarHBondContact O-CB 3.43Å; Q321-F325 WeakPolarHBondContact O-CG 3.43Å; Q321-F325 PolarHBondContact O-N 2.87Å; V323-F325 VanDerWaalsContact C-N 3.34Å; V323-F325 PolarHBondContact O-N 2.92Å; F325-F327 VanDerWaalsContact C-N 3.31Å; F325-F327 PolarHBondContact O-N 3.48Å; F325-A328 PolarHBondContact O-N 3.49Å; F325-T329 PolarHBondContact O-N 2.94Å; F325-T329 PolarHBondContact O-OG1 3.45Å; F325-T329 VanDerWaalsContact O-OG1 3.1Å
326	A	96.8	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-42.5	177	0	0	0	0	0	111.6	F274 L277 H278 Q322 V323 T329 H330 F357	F274-A326 HydrophobicContact CD2-CB 3.54Å; F274-A326 HydrophobicContact CE2-CB 3.57Å; L277-A326 HydrophobicContact CB-CB 4.05Å; H278-A326 HydrophobicContact CB-CB 4.35Å; Q322-A326 VanDerWaalsContact O-CB 3.31Å; Q322-A326 WeakPolarHBondContact O-CB 3.42Å; Q322-A326 PolarHBondContact O-N 3.29Å; V323-A326 PolarHBondContact O-N 3.32Å; A326-T329 PolarHBondContact O-N 3.44Å; A326-H330 WeakPolarHBondContact O-CB 3.45Å; A326-H330 PolarHBondContact O-N 3.06Å; A326-F357 HydrophobicContact CB-CD2 3.74Å; A326-F357 HydrophobicContact CB-CE2 3.87Å
327	F	96.3	Very high	94.9	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-46.3	176.2	-178.8	-93.8	0	0	0	112.3	V323 F325 T329 H330 N331 I334 G335 M340 F357 L360 I361 T364	V323-F327 WeakPolarHBondContact O-CB 3.43Å; V323-F327 PolarHBondContact O-N 3.26Å; F325-F327 VanDerWaalsContact C-N 3.31Å; F325-F327 PolarHBondContact O-N 3.48Å; F327-T329 VanDerWaalsContact C-N 3.25Å; F327-T329 PolarHBondContact O-N 2.97Å; F327-H330 WeakPolarHBondContact O-CB 3.4Å; F327-H330 PolarHBondContact O-N 3.45Å; F327-N331 PolarHBondContact O-N 3.42Å; F327-I334 HydrophobicContact CE1-CG2 4Å; F327-I334 HydrophobicContact CZ-CG2 4.33Å; F327-G335 WeakPolarHBondContact CD1-O 3.31Å; F327-G335 WeakPolarHBondContact CE1-O 3.48Å; F327-M340 HydrophobicContact CD1-CE 4.43Å; F327-M340 HydrophobicContact CD1-SD 4Å; F327-M340 HydrophobicContact CE1-CE 3.52Å; F327-M340 HydrophobicContact CE1-SD 3.63Å; F327-M340 HydrophobicContact CZ-CE 3.76Å; F327-M340 HydrophobicContact CZ-SD 4.38Å; F327-F357 HydrophobicContact CB-CD2 4.38Å; F327-L360 HydrophobicContact CB-CD1 3.9Å; F327-L360 HydrophobicContact CD2-CB 3.46Å; F327-L360 VanDerWaalsContact CD2-CB 3.46Å; F327-L360 HydrophobicContact CD2-CD1 4.27Å; F327-L360 HydrophobicContact CE2-CB 3.84Å; F327-L360 HydrophobicContact CG-CB 4.03Å; F327-L360 HydrophobicContact CG-CD1 3.97Å; F327-I361 HydrophobicContact CD2-CG1 4.47Å; F327-T364 HydrophobicContact CE2-CG2 4.03Å; F327-T364 HydrophobicContact CZ-CG2 3.57Å
328	A	94.9	Very high	94.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-29.5	177.3	0	0	0	0	0	113	F281 I295 L324 F325 P332	F281-A328 HydrophobicContact CE2-CB 4.07Å; I295-A328 HydrophobicContact CD1-CB 4.5Å; L324-A328 WeakPolarHBondContact O-CB 3.4Å; L324-A328 PolarHBondContact O-N 3.32Å; F325-A328 PolarHBondContact O-N 3.49Å; A328-P332 WeakPolarHBondContact O-CA 3.5Å
329	T	94.6	Very high	94.3	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-71.3	-41.3	169.4	-54.6	0	0	0	0	111.8	L277 F281 I284 F325 A326 F327	L277-T329 HydrophobicContact CB-CG2 4.44Å; L277-T329 HydrophobicContact CD2-CG2 3.59Å; L277-T329 PolarHBondContact O-OG1 3.29Å; F281-T329 VanDerWaalsContact CD2-OG1 3.31Å; F281-T329 WeakPolarHBondContact CD2-OG1 3.27Å; I284-T329 HydrophobicContact CD1-CG2 4.06Å; F325-T329 PolarHBondContact O-N 2.94Å; F325-T329 PolarHBondContact O-OG1 3.45Å; F325-T329 VanDerWaalsContact O-OG1 3.1Å; A326-T329 PolarHBondContact O-N 3.44Å; F327-T329 VanDerWaalsContact C-N 3.25Å; F327-T329 PolarHBondContact O-N 2.97Å
330	H	94.3	Very high	94.2	Very high	25 Å²	25	26.6 Å²	26.6	12%	0.116	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-48.5	-177.7	171.1	65.7	0	0	0	111.7	H269 Y273 L277 A326 F327 F357 E365	H269-H330 AromaticContact NE2-CE1 3.57Å; Y273-H330 AromaticContact CE1-ND1 3.47Å; Y273-H330 WeakPolarHBondContact CE1-ND1 3.36Å; Y273-H330 AromaticContact CZ-ND1 3.64Å; Y273-H330 PolarHBondContact OH-ND1 3.46Å; L277-H330 HydrophobicContact CD1-CB 3.78Å; A326-H330 WeakPolarHBondContact O-CB 3.45Å; A326-H330 PolarHBondContact O-N 3.06Å; F327-H330 WeakPolarHBondContact O-CB 3.4Å; F327-H330 PolarHBondContact O-N 3.45Å; H330-F357 HydrophobicContact CB-CE2 4.17Å; H330-F357 HydrophobicContact CB-CZ 4.3Å; H330-E365 IonicContact CE1-OE1 2.87Å; H330-E365 IonicContact NE2-OE1 3.7Å; H330-E365 PolarHBondContact NE2-OE1 3.06Å
331	N	92.4	Very high	94.1	Very high	14 Å²	14	26.6 Å²	26.6	8%	0.075	13%	0.134	C	C	.	.			trans	-125.4	83.2	179.4	-168.8	-28	0	0	0	110.4	F327 K333 I334 G335	F327-N331 PolarHBondContact O-N 3.42Å; N331-K333 PolarHBondContact O-N 3.16Å; N331-K333 PolarHBondContact OD1-N 3.39Å; N331-I334 WeakPolarHBondContact ND2-CD1 3.32Å; N331-I334 PolarHBondContact O-N 3.34Å; N331-I334 PolarHBondContact OD1-N 2.95Å; N331-I334 VanDerWaalsContact OD1-N 3.09Å; N331-G335 WeakPolarHBondContact O-CA 3.36Å; N331-G335 PolarHBondContact O-N 2.97Å
332	P	91.1	Very high	94.1	Very high	75 Å²	75	25.5 Å²	25.5	49%	0.487	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.2	-179.7	27.7	-35.2	0	0	0	113.6	A328	A328-P332 WeakPolarHBondContact O-CA 3.5Å
333	K	89.6	Confident	94.2	Very high	135 Å²	135	22.5 Å²	22.5	59%	0.587	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-42.1	176.5	174.4	175.5	155.4	-155.1	0	111.3	N331 E370	N331-K333 PolarHBondContact O-N 3.16Å; N331-K333 PolarHBondContact OD1-N 3.39Å; K333-E370 VanDerWaalsContact CD-OE1 3.23Å; K333-E370 WeakPolarHBondContact CD-OE1 3.4Å; K333-E370 VanDerWaalsContact CE-OE1 3.25Å; K333-E370 WeakPolarHBondContact CE-OE1 3.15Å; K333-E370 IonicContact NZ-OE1 3.76Å; K333-E370 PolarHBondContact NZ-OE1 3.13Å; K333-E370 IonicContact NZ-OE2 2.94Å; K333-E370 PolarHBondContact NZ-OE2 3.39Å
334	I	92.2	Very high	94.2	Very high	18 Å²	18	22.5 Å²	22.5	9%	0.092	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-46.2	169.1	-67.2	178.5	0	0	0	109.7	F327 N331 Y336 M340 T364 E370 Y373	F327-I334 HydrophobicContact CE1-CG2 4Å; F327-I334 HydrophobicContact CZ-CG2 4.33Å; N331-I334 WeakPolarHBondContact ND2-CD1 3.32Å; N331-I334 PolarHBondContact O-N 3.34Å; N331-I334 PolarHBondContact OD1-N 2.95Å; N331-I334 VanDerWaalsContact OD1-N 3.09Å; I334-Y336 PolarHBondContact O-N 3.45Å; I334-M340 HydrophobicContact CG2-CE 3.86Å; I334-T364 HydrophobicContact CD1-CG2 3.93Å; I334-E370 HydrophobicContact CD1-CG 4.2Å; I334-Y373 WeakPolarHBondContact CG2-O 3.35Å
335	G	92.7	Very high	94.2	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	11%	0.113	C	C	.	.			trans	66.4	-110.2	-176.1	0	0	0	0	0	111.1	S291 F327 N331	S291-G335 WeakPolarHBondContact OG-CA 3.21Å; F327-G335 WeakPolarHBondContact CD1-O 3.31Å; F327-G335 WeakPolarHBondContact CE1-O 3.48Å; N331-G335 WeakPolarHBondContact O-CA 3.36Å; N331-G335 PolarHBondContact O-N 2.97Å
336	Y	93.9	Very high	94.2	Very high	13 Å²	13	22 Å²	22	5%	0.051	11%	0.112	C	C	.	.			trans	-127.6	122.8	176.1	170.8	-103.5	0	0	0	110	S291 Q294 I295 D298 L324 I334 M340 N341	S291-Y336 PolarHBondContact OG-N 3.06Å; Q294-Y336 HydrophobicContact CB-CD1 3.56Å; Q294-Y336 HydrophobicContact CB-CE1 3.89Å; I295-Y336 HydrophobicContact CD1-CD2 4.13Å; I295-Y336 HydrophobicContact CD1-CG 4.12Å; I295-Y336 HydrophobicContact CG1-CD1 3.94Å; I295-Y336 HydrophobicContact CG1-CD2 3.5Å; I295-Y336 HydrophobicContact CG1-CE1 4.35Å; I295-Y336 HydrophobicContact CG1-CE2 3.96Å; I295-Y336 HydrophobicContact CG1-CG 3.48Å; I295-Y336 VanDerWaalsContact CG1-CG 3.48Å; D298-Y336 VanDerWaalsContact CB-OH 3.29Å; D298-Y336 WeakPolarHBondContact CB-OH 3.25Å; D298-Y336 VanDerWaalsContact CG-OH 3.29Å; D298-Y336 WeakPolarHBondContact OD2-CE1 3.25Å; D298-Y336 PolarHBondContact OD2-OH 2.7Å; L324-Y336 HydrophobicContact CD1-CE2 3.99Å; L324-Y336 HydrophobicContact CD2-CD2 4.14Å; L324-Y336 HydrophobicContact CD2-CE2 4Å; I334-Y336 PolarHBondContact O-N 3.45Å; Y336-M340 HydrophobicContact CD2-CB 4.45Å; Y336-M340 HydrophobicContact CE2-CB 4.2Å; Y336-N341 HydrophobicContact CE2-CB 4.29Å; Y336-N341 VanDerWaalsContact OH-CB 3.27Å; Y336-N341 WeakPolarHBondContact OH-CB 3.19Å; Y336-N341 VanDerWaalsContact OH-CG 3.25Å; Y336-N341 PolarHBondContact OH-OD1 3.06Å; Y336-N341 VanDerWaalsContact OH-OD1 3.13Å
337	C	92.4	Very high	94.3	Very high	12 Å²	12	22 Å²	22	8%	0.081	11%	0.112	C	C	.	.			trans	-102.7	130.4	170.3	179	0	0	0	0	110	G339 M340 Y373 L377	C337-G339 PolarHBondContact O-N 3.34Å; C337-M340 HydrophobicContact CB-CE 4.14Å; C337-M340 HydrophobicContact CB-CG 4.24Å; C337-M340 HydrophobicContact CB-SD 4.06Å; C337-M340 VanDerWaalsContact O-CB 3.31Å; C337-M340 WeakPolarHBondContact O-CB 3.48Å; C337-M340 WeakPolarHBondContact O-CG 3.49Å; C337-M340 PolarHBondContact O-N 3.49Å; C337-Y373 HydrophobicContact CB-CD1 3.98Å; C337-L377 WeakPolarHBondContact SG-CD2 3.43Å
338	Q	89	Confident	94.4	Very high	112 Å²	112	22.9 Å²	22.9	52%	0.523	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130	170.5	-176.3	-179	-15.2	0	0	109.5	R301	R301-Q338 VanDerWaalsContact NH2-NE2 3.13Å
339	G	90.4	Very high	94.4	Very high	5 Å²	5	24.7 Å²	24.7	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.7	-38.4	-167.7	0	0	0	0	0	111.8	C337 N341 F342 I343	C337-G339 PolarHBondContact O-N 3.34Å; G339-N341 VanDerWaalsContact C-N 3.26Å; G339-N341 PolarHBondContact N-OD1 3.46Å; G339-N341 PolarHBondContact O-N 3.47Å; G339-F342 PolarHBondContact O-N 3.36Å; G339-I343 PolarHBondContact O-N 2.91Å
340	M	95.6	Very high	94.6	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-33	177.8	-69.9	-179.9	165	0	0	112.6	L324 F327 I334 Y336 C337 F342 I343 A344 L360 T364 Y373	L324-M340 HydrophobicContact CD2-CB 4.15Å; F327-M340 HydrophobicContact CD1-CE 4.43Å; F327-M340 HydrophobicContact CD1-SD 4Å; F327-M340 HydrophobicContact CE1-CE 3.52Å; F327-M340 HydrophobicContact CE1-SD 3.63Å; F327-M340 HydrophobicContact CZ-CE 3.76Å; F327-M340 HydrophobicContact CZ-SD 4.38Å; I334-M340 HydrophobicContact CG2-CE 3.86Å; Y336-M340 HydrophobicContact CD2-CB 4.45Å; Y336-M340 HydrophobicContact CE2-CB 4.2Å; C337-M340 HydrophobicContact CB-CE 4.14Å; C337-M340 HydrophobicContact CB-CG 4.24Å; C337-M340 HydrophobicContact CB-SD 4.06Å; C337-M340 VanDerWaalsContact O-CB 3.31Å; C337-M340 WeakPolarHBondContact O-CB 3.48Å; C337-M340 WeakPolarHBondContact O-CG 3.49Å; C337-M340 PolarHBondContact O-N 3.49Å; M340-F342 VanDerWaalsContact C-N 3.33Å; M340-F342 PolarHBondContact O-N 3.38Å; M340-I343 PolarHBondContact O-N 3.46Å; M340-A344 VanDerWaalsContact O-CB 3.29Å; M340-A344 WeakPolarHBondContact O-CB 3.12Å; M340-A344 PolarHBondContact O-N 2.95Å; M340-L360 HydrophobicContact CB-CD2 4.4Å; M340-T364 HydrophobicContact CE-CG2 3.96Å; M340-Y373 HydrophobicContact CE-CD1 3.81Å; M340-Y373 HydrophobicContact CE-CD2 4.12Å; M340-Y373 HydrophobicContact CE-CE1 4.43Å; M340-Y373 HydrophobicContact CE-CG 3.62Å; M340-Y373 HydrophobicContact CG-CD1 4.46Å
341	N	96.4	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-44.8	174.9	60.3	-55.8	0	0	0	112	D298 T302 L324 Y336 G339 A345	D298-N341 HydrophobicContact CB-CB 4.41Å; T302-N341 HydrophobicContact CG2-CB 4.2Å; T302-N341 WeakPolarHBondContact CG2-O 3.28Å; T302-N341 PolarHBondContact OG1-ND2 2.88Å; L324-N341 HydrophobicContact CD1-CB 4.21Å; Y336-N341 HydrophobicContact CE2-CB 4.29Å; Y336-N341 VanDerWaalsContact OH-CB 3.27Å; Y336-N341 WeakPolarHBondContact OH-CB 3.19Å; Y336-N341 VanDerWaalsContact OH-CG 3.25Å; Y336-N341 PolarHBondContact OH-OD1 3.06Å; Y336-N341 VanDerWaalsContact OH-OD1 3.13Å; G339-N341 VanDerWaalsContact C-N 3.26Å; G339-N341 PolarHBondContact N-OD1 3.46Å; G339-N341 PolarHBondContact O-N 3.47Å; N341-A345 VanDerWaalsContact O-CB 3.23Å; N341-A345 WeakPolarHBondContact O-CB 3.23Å; N341-A345 PolarHBondContact O-N 2.87Å
342	F	96.1	Very high	95	Very high	23 Å²	23	26.3 Å²	26.3	10%	0.101	14%	0.139	C	C	.	.	H	α-helix	trans	-68.7	-43.5	179.5	-62.3	-67.4	0	0	0	111.3	T302 G339 M340 A344 A345 V346 S422 D423	T302-F342 HydrophobicContact CG2-CD1 4.04Å; T302-F342 HydrophobicContact CG2-CE1 4.48Å; G339-F342 PolarHBondContact O-N 3.36Å; M340-F342 VanDerWaalsContact C-N 3.33Å; M340-F342 PolarHBondContact O-N 3.38Å; F342-A344 PolarHBondContact O-N 3.22Å; F342-A345 PolarHBondContact O-N 3.4Å; F342-V346 VanDerWaalsContact O-CG2 3.3Å; F342-V346 WeakPolarHBondContact O-CG2 3.46Å; F342-V346 PolarHBondContact O-N 3.02Å; F342-S422 WeakPolarHBondContact CB-OG 3.38Å; F342-D423 HydrophobicContact CD1-CB 4.25Å; F342-D423 HydrophobicContact CD2-CB 4.2Å; F342-D423 HydrophobicContact CE1-CB 4.41Å; F342-D423 HydrophobicContact CE2-CB 4.36Å; F342-D423 HydrophobicContact CG-CB 4.14Å; F342-D423 HydrophobicContact CZ-CB 4.47Å; F342-D423 VanDerWaalsContact CZ-OD2 3.25Å; F342-D423 WeakPolarHBondContact CZ-OD2 3.45Å
343	I	97.4	Very high	95.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-50.3	176.4	-63.7	173.3	0	0	0	110.4	G339 M340 A345 V346 A347 L359 L360 L363 L420 W434	G339-I343 PolarHBondContact O-N 2.91Å; M340-I343 PolarHBondContact O-N 3.46Å; I343-A345 PolarHBondContact O-N 3.49Å; I343-V346 PolarHBondContact O-N 2.86Å; I343-A347 WeakPolarHBondContact O-CB 3.36Å; I343-A347 PolarHBondContact O-N 2.75Å; I343-L359 HydrophobicContact CG2-CD2 3.9Å; I343-L359 HydrophobicContact CG2-CG 4.38Å; I343-L360 HydrophobicContact CG2-CD2 4.3Å; I343-L363 HydrophobicContact CD1-CD1 3.91Å; I343-L363 HydrophobicContact CG2-CD1 3.7Å; I343-L420 HydrophobicContact CD1-CD1 4.04Å; I343-L420 HydrophobicContact CD1-CG 4.03Å; I343-W434 HydrophobicContact CB-CH2 4.29Å; I343-W434 HydrophobicContact CG1-CZ2 4.43Å; I343-W434 HydrophobicContact CG2-CH2 3.84Å; I343-W434 HydrophobicContact CG2-CZ2 4.29Å; I343-W434 WeakPolarHBondContact O-CH2 3.27Å
344	A	98.1	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-40.3	-179.2	0	0	0	0	0	112.2	L320 V323 L324 M340 F342 A347 L348 T356 L360	L320-A344 HydrophobicContact CD1-CB 3.52Å; V323-A344 HydrophobicContact CG1-CB 4.19Å; L324-A344 HydrophobicContact CD2-CB 4.28Å; M340-A344 VanDerWaalsContact O-CB 3.29Å; M340-A344 WeakPolarHBondContact O-CB 3.12Å; M340-A344 PolarHBondContact O-N 2.95Å; F342-A344 PolarHBondContact O-N 3.22Å; A344-A347 PolarHBondContact O-N 3.28Å; A344-L348 WeakPolarHBondContact O-CB 3.37Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 3.41Å; A344-L348 PolarHBondContact O-N 3.45Å; A344-T356 HydrophobicContact CB-CG2 3.85Å; A344-T356 WeakPolarHBondContact O-CG2 3.35Å; A344-L360 HydrophobicContact CB-CD1 4.45Å
345	A	97.6	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-42	178.7	0	0	0	0	0	112.6	T302 M303 F309 L320 N341 F342 I343 L348	T302-A345 HydrophobicContact CG2-CB 3.42Å; T302-A345 VanDerWaalsContact CG2-CB 3.42Å; M303-A345 HydrophobicContact CG-CB 4.24Å; M303-A345 HydrophobicContact SD-CB 3.61Å; F309-A345 HydrophobicContact CE1-CB 3.91Å; F309-A345 HydrophobicContact CE2-CB 4.35Å; F309-A345 HydrophobicContact CZ-CB 3.79Å; F309-A345 WeakPolarHBondContact CZ-O 3.36Å; L320-A345 HydrophobicContact CD1-CB 4.33Å; L320-A345 HydrophobicContact CD2-CB 4.31Å; N341-A345 VanDerWaalsContact O-CB 3.23Å; N341-A345 WeakPolarHBondContact O-CB 3.23Å; N341-A345 PolarHBondContact O-N 2.87Å; F342-A345 PolarHBondContact O-N 3.4Å; I343-A345 PolarHBondContact O-N 3.49Å; A345-L348 PolarHBondContact O-N 3.39Å
346	V	97	Very high	96.3	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-48.6	173.8	169.5	0	0	0	0	110.8	M303 F342 I343 L348 L349 F350 F427 M430 W434	M303-V346 HydrophobicContact SD-CG2 4.14Å; F342-V346 VanDerWaalsContact O-CG2 3.3Å; F342-V346 WeakPolarHBondContact O-CG2 3.46Å; F342-V346 PolarHBondContact O-N 3.02Å; I343-V346 PolarHBondContact O-N 2.86Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.37Å; V346-L349 WeakPolarHBondContact O-CB 3.46Å; V346-L349 PolarHBondContact O-N 2.82Å; V346-L349 VanDerWaalsContact O-N 3.13Å; V346-F350 WeakPolarHBondContact O-CD2 3.44Å; V346-F427 HydrophobicContact CG1-CE2 4.14Å; V346-F427 HydrophobicContact CG1-CZ 4.44Å; V346-F427 HydrophobicContact CG2-CE2 4.1Å; V346-M430 HydrophobicContact CB-CE 4.33Å; V346-M430 HydrophobicContact CG1-CE 3.33Å; V346-M430 HydrophobicContact CG1-SD 3.94Å; V346-M430 HydrophobicContact CG2-CE 4Å; V346-M430 HydrophobicContact CG2-SD 3.86Å; V346-W434 HydrophobicContact CB-CH2 3.67Å; V346-W434 HydrophobicContact CB-CZ2 4.4Å; V346-W434 HydrophobicContact CB-CZ3 3.96Å; V346-W434 HydrophobicContact CG1-CE3 3.99Å; V346-W434 HydrophobicContact CG1-CH2 3.57Å; V346-W434 HydrophobicContact CG1-CZ2 4.21Å; V346-W434 HydrophobicContact CG1-CZ3 3.44Å; V346-W434 VanDerWaalsContact CG1-CZ3 3.44Å; V346-W434 HydrophobicContact CG2-CH2 4.47Å
347	A	97.8	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-37.3	-178.9	0	0	0	0	0	112.7	I343 A344 L349 F350 V351 T356 L359 W434	I343-A347 WeakPolarHBondContact O-CB 3.36Å; I343-A347 PolarHBondContact O-N 2.75Å; A344-A347 PolarHBondContact O-N 3.28Å; A347-L349 PolarHBondContact O-N 3.39Å; A347-L349 VanDerWaalsContact O-N 3.09Å; A347-F350 PolarHBondContact O-N 2.95Å; A347-V351 HydrophobicContact CB-CG2 4.31Å; A347-V351 WeakPolarHBondContact O-CG2 3.29Å; A347-V351 PolarHBondContact O-N 2.99Å; A347-T356 HydrophobicContact CB-CG2 3.87Å; A347-L359 HydrophobicContact CB-CD2 3.47Å; A347-L359 VanDerWaalsContact CB-CD2 3.47Å; A347-W434 HydrophobicContact CB-CZ3 4.31Å
348	L	98	Very high	96.7	Very high	20 Å²	20	18.6 Å²	18.6	11%	0.105	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.3	175.7	-78.9	168.8	0	0	0	114.3	F309 Q319 L320 V323 A344 A345 V346 F350 A353 T356	F309-L348 HydrophobicContact CE1-CD1 4.45Å; F309-L348 HydrophobicContact CZ-CB 4.24Å; F309-L348 HydrophobicContact CZ-CD1 4.44Å; Q319-L348 HydrophobicContact CB-CD1 4.08Å; Q319-L348 HydrophobicContact CB-CD2 3.84Å; L320-L348 HydrophobicContact CB-CD1 3.88Å; L320-L348 HydrophobicContact CD1-CD1 4.27Å; V323-L348 HydrophobicContact CG2-CD2 4.49Å; A344-L348 WeakPolarHBondContact O-CB 3.37Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 3.41Å; A344-L348 PolarHBondContact O-N 3.45Å; A345-L348 PolarHBondContact O-N 3.39Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.37Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-A353 HydrophobicContact CD2-CB 4.1Å; L348-T356 HydrophobicContact CD2-CG2 4.49Å; L348-T356 HydrophobicContact CG-CG2 4.08Å
349	L	96.5	Very high	97.2	Very high	40 Å²	40	13.3 Å²	13.3	21%	0.209	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-17	172	-63.5	-178.8	0	0	0	113.4	F185 M303 H308 F309 V346 A347 F427	F185-L349 HydrophobicContact CE2-CD1 4.45Å; M303-L349 HydrophobicContact CE-CD1 3.53Å; M303-L349 HydrophobicContact CE-CG 4.33Å; H308-L349 HydrophobicContact CB-CD2 4.31Å; H308-L349 VanDerWaalsContact CD2-CD2 3.48Å; H308-L349 WeakPolarHBondContact CD2-CD2 3.26Å; F309-L349 HydrophobicContact CE2-CD2 3.97Å; F309-L349 HydrophobicContact CE2-CG 4.45Å; V346-L349 WeakPolarHBondContact O-CB 3.46Å; V346-L349 PolarHBondContact O-N 2.82Å; V346-L349 VanDerWaalsContact O-N 3.13Å; A347-L349 PolarHBondContact O-N 3.39Å; A347-L349 VanDerWaalsContact O-N 3.09Å; L349-F427 HydrophobicContact CD1-CE1 4.49Å; L349-F427 HydrophobicContact CD1-CE2 4.03Å; L349-F427 HydrophobicContact CD1-CZ 3.56Å
350	F	97.2	Very high	97.5	Very high	25 Å²	25	13.1 Å²	13.1	11%	0.11	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-32.6	-173.9	-61.5	-81.6	0	0	0	114	Y183 R250 S251 W254 V346 A347 L348 F427 L431	Y183-F350 HydrophobicContact CD1-CE1 4.32Å; Y183-F350 AromaticContact CD1-CZ 3.88Å; Y183-F350 HydrophobicContact CD1-CZ 3.88Å; Y183-F350 HydrophobicContact CE1-CE1 4.14Å; Y183-F350 AromaticContact CE1-CZ 3.9Å; Y183-F350 HydrophobicContact CE1-CZ 3.9Å; R250-F350 HydrophobicContact CB-CD1 4.19Å; R250-F350 HydrophobicContact CG-CD1 3.94Å; R250-F350 HydrophobicContact CG-CE1 4.33Å; R250-F350 HydrophobicContact CG-CG 4.4Å; S251-F350 WeakPolarHBondContact CA-O 3.48Å; S251-F350 WeakPolarHBondContact CB-O 3.28Å; S251-F350 PolarHBondContact OG-O 3.36Å; W254-F350 HydrophobicContact CE3-CB 3.76Å; W254-F350 HydrophobicContact CE3-CD2 4.17Å; W254-F350 HydrophobicContact CE3-CG 4.08Å; W254-F350 HydrophobicContact CH2-CD2 4.07Å; W254-F350 HydrophobicContact CH2-CE2 4.38Å; W254-F350 HydrophobicContact CZ3-CB 4Å; W254-F350 AromaticContact CZ3-CD2 3.52Å; W254-F350 HydrophobicContact CZ3-CD2 3.52Å; W254-F350 HydrophobicContact CZ3-CE2 4.26Å; W254-F350 AromaticContact CZ3-CG 3.89Å; W254-F350 HydrophobicContact CZ3-CG 3.89Å; V346-F350 WeakPolarHBondContact O-CD2 3.44Å; A347-F350 PolarHBondContact O-N 2.95Å; L348-F350 VanDerWaalsContact C-N 3.3Å; F350-F427 HydrophobicContact CE2-CE1 4.1Å; F350-F427 AromaticContact CE2-CZ 3.8Å; F350-F427 HydrophobicContact CE2-CZ 3.8Å; F350-F427 AromaticContact CZ-CE1 3.95Å; F350-F427 HydrophobicContact CZ-CE1 3.95Å; F350-F427 HydrophobicContact CZ-CZ 4.13Å; F350-L431 HydrophobicContact CD2-CD2 4.25Å; F350-L431 HydrophobicContact CE1-CD1 4.36Å; F350-L431 HydrophobicContact CE1-CD2 4.47Å; F350-L431 HydrophobicContact CE2-CD1 4.37Å; F350-L431 HydrophobicContact CE2-CD2 3.34Å; F350-L431 HydrophobicContact CE2-CG 4.48Å; F350-L431 HydrophobicContact CZ-CD1 3.64Å; F350-L431 HydrophobicContact CZ-CD2 3.48Å; F350-L431 VanDerWaalsContact CZ-CD2 3.48Å; F350-L431 HydrophobicContact CZ-CG 4.21Å
351	V	97.5	Very high	97.6	Very high	12 Å²	12	13 Å²	13	7%	0.073	7%	0.071	C	C	.	.	S	Bend	trans	-125.9	168.5	-175.7	-57	0	0	0	0	111.5	W254 T255 L258 A347 D355	W254-V351 HydrophobicContact CB-CG1 3.95Å; T255-V351 WeakPolarHBondContact OG1-CG1 3.29Å; L258-V351 HydrophobicContact CD1-CG2 4.44Å; A347-V351 HydrophobicContact CB-CG2 4.31Å; A347-V351 WeakPolarHBondContact O-CG2 3.29Å; A347-V351 PolarHBondContact O-N 2.99Å; V351-D355 HydrophobicContact CB-CB 3.78Å; V351-D355 HydrophobicContact CG2-CB 3.79Å
352	S	97.8	Very high	97.5	Very high	55 Å²	55	13 Å²	13	39%	0.385	7%	0.071	S	C	.	.			trans	-66.7	165	-179.3	73.4	0	0	0	0	112	E354 D355 T356	S352-E354 PolarHBondContact O-N 3.13Å; S352-D355 PolarHBondContact O-N 2.82Å; S352-D355 PolarHBondContact OG-N 3.43Å; S352-D355 VanDerWaalsContact OG-N 3.07Å; S352-D355 PolarHBondContact OG-OD2 3.3Å; S352-T356 WeakPolarHBondContact O-CB 3.42Å; S352-T356 PolarHBondContact O-N 2.91Å; S352-T356 PolarHBondContact O-OG1 2.95Å
353	A	98.2	Very high	97.5	Very high	10 Å²	10	12 Å²	12	8%	0.083	7%	0.067	C	C	.	.	H	α-helix	trans	-60.3	-36.7	173.2	0	0	0	0	0	111.9	F274 Q319 V323 L348 T356 F357	F274-A353 HydrophobicContact CE1-CB 4.16Å; F274-A353 HydrophobicContact CZ-CB 4.1Å; Q319-A353 HydrophobicContact CB-CB 4.37Å; Q319-A353 HydrophobicContact CG-CB 4.45Å; V323-A353 HydrophobicContact CG2-CB 3.99Å; V323-A353 VanDerWaalsContact CG2-O 3.24Å; V323-A353 WeakPolarHBondContact CG2-O 3.47Å; L348-A353 HydrophobicContact CD2-CB 4.1Å; A353-T356 PolarHBondContact O-N 3.49Å; A353-F357 PolarHBondContact O-N 2.86Å
354	E	97.8	Very high	97.2	Very high	61 Å²	61	12.1 Å²	12.1	29%	0.285	7%	0.068	S	C	.	.	H	α-helix	trans	-66.4	-46.3	175.7	-176.3	-179.6	159.9	0	0	111.4	K266 F274 S352 T356 F357 W358	K266-E354 IonicContact NZ-OE1 3.4Å; K266-E354 PolarHBondContact NZ-OE1 3.31Å; F274-E354 HydrophobicContact CB-CG 3.96Å; F274-E354 HydrophobicContact CD1-CB 3.94Å; F274-E354 HydrophobicContact CD1-CG 4.31Å; F274-E354 HydrophobicContact CG-CB 4.35Å; F274-E354 HydrophobicContact CG-CG 4.33Å; S352-E354 PolarHBondContact O-N 3.13Å; E354-T356 VanDerWaalsContact C-N 3.25Å; E354-T356 PolarHBondContact O-N 3.09Å; E354-F357 WeakPolarHBondContact O-CB 3.3Å; E354-F357 PolarHBondContact O-N 2.82Å; E354-F357 VanDerWaalsContact O-N 3.15Å; E354-W358 PolarHBondContact O-N 3.24Å; E354-W358 PolarHBondContact OE1-NE1 3.32Å
355	D	98.1	Very high	96.9	Very high	18 Å²	18	16.2 Å²	16.2	10%	0.096	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-34.2	177.1	-63	-48.4	0	0	0	111.5	V351 S352 W358 L359	V351-D355 HydrophobicContact CB-CB 3.78Å; V351-D355 HydrophobicContact CG2-CB 3.79Å; S352-D355 PolarHBondContact O-N 2.82Å; S352-D355 PolarHBondContact OG-N 3.43Å; S352-D355 VanDerWaalsContact OG-N 3.07Å; S352-D355 PolarHBondContact OG-OD2 3.3Å; D355-W358 CarbonylContact O-C 3.38Å; D355-W358 PolarHBondContact O-N 2.87Å; D355-L359 PolarHBondContact O-N 2.92Å
356	T	98.6	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-40.8	173.8	-55.2	0	0	0	0	111.5	V323 A344 A347 L348 S352 A353 E354 W358 L359 L360	V323-T356 HydrophobicContact CG1-CG2 3.84Å; V323-T356 HydrophobicContact CG2-CG2 4.24Å; A344-T356 HydrophobicContact CB-CG2 3.85Å; A344-T356 WeakPolarHBondContact O-CG2 3.35Å; A347-T356 HydrophobicContact CB-CG2 3.87Å; L348-T356 HydrophobicContact CD2-CG2 4.49Å; L348-T356 HydrophobicContact CG-CG2 4.08Å; S352-T356 WeakPolarHBondContact O-CB 3.42Å; S352-T356 PolarHBondContact O-N 2.91Å; S352-T356 PolarHBondContact O-OG1 2.95Å; A353-T356 PolarHBondContact O-N 3.49Å; E354-T356 VanDerWaalsContact C-N 3.25Å; E354-T356 PolarHBondContact O-N 3.09Å; T356-W358 VanDerWaalsContact C-N 3.32Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 2.9Å; T356-L360 PolarHBondContact O-N 3.41Å; T356-L360 VanDerWaalsContact O-N 3.16Å
357	F	98.4	Very high	96.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-43.4	172.1	163.3	-97	0	0	0	111.3	Y273 F274 L277 V323 A326 F327 H330 A353 E354 L359 L360 I361	Y273-F357 HydrophobicContact CD1-CE1 4.02Å; Y273-F357 HydrophobicContact CD1-CZ 4.04Å; Y273-F357 HydrophobicContact CE1-CE1 4.44Å; Y273-F357 HydrophobicContact CE1-CZ 4.05Å; F274-F357 HydrophobicContact CB-CD1 3.93Å; F274-F357 HydrophobicContact CB-CE1 4.25Å; F274-F357 HydrophobicContact CB-CG 4.38Å; F274-F357 HydrophobicContact CD2-CB 3.6Å; F274-F357 HydrophobicContact CD2-CD1 4Å; F274-F357 AromaticContact CD2-CD2 3.95Å; F274-F357 HydrophobicContact CD2-CD2 3.95Å; F274-F357 AromaticContact CD2-CG 3.57Å; F274-F357 HydrophobicContact CD2-CG 3.57Å; F274-F357 HydrophobicContact CE2-CB 3.96Å; F274-F357 HydrophobicContact CE2-CG 4.3Å; F274-F357 HydrophobicContact CG-CB 4.34Å; F274-F357 HydrophobicContact CG-CD1 4.33Å; F274-F357 HydrophobicContact CG-CG 4.31Å; L277-F357 HydrophobicContact CD1-CE1 4.39Å; L277-F357 HydrophobicContact CD1-CE2 3.8Å; L277-F357 HydrophobicContact CD1-CZ 3.39Å; V323-F357 HydrophobicContact CG1-CB 4.4Å; A326-F357 HydrophobicContact CB-CD2 3.74Å; A326-F357 HydrophobicContact CB-CE2 3.87Å; F327-F357 HydrophobicContact CB-CD2 4.38Å; H330-F357 HydrophobicContact CB-CE2 4.17Å; H330-F357 HydrophobicContact CB-CZ 4.3Å; A353-F357 PolarHBondContact O-N 2.86Å; E354-F357 WeakPolarHBondContact O-CB 3.3Å; E354-F357 PolarHBondContact O-N 2.82Å; E354-F357 VanDerWaalsContact O-N 3.15Å; F357-L359 VanDerWaalsContact C-N 3.31Å; F357-L359 PolarHBondContact O-N 2.73Å; F357-L360 PolarHBondContact O-N 3.43Å; F357-L360 VanDerWaalsContact O-N 3.16Å; F357-I361 HydrophobicContact CD1-CD1 4.19Å; F357-I361 HydrophobicContact CE1-CD1 3.41Å; F357-I361 VanDerWaalsContact CE1-CD1 3.41Å; F357-I361 HydrophobicContact CE1-CG1 4.41Å; F357-I361 HydrophobicContact CE2-CD1 4.05Å; F357-I361 HydrophobicContact CE2-CG1 4.47Å; F357-I361 HydrophobicContact CZ-CD1 3.34Å; F357-I361 HydrophobicContact CZ-CG1 4.21Å; F357-I361 PolarHBondContact O-N 3.25Å; F357-I361 VanDerWaalsContact O-N 3.15Å
358	W	98.1	Very high	95.7	Very high	4 Å²	4	17 Å²	17	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-31.8	174.5	-73.8	113.6	0	0	0	113	T262 V265 K266 Y273 E354 D355 T356 I361 A362	T262-W358 HydrophobicContact CG2-CB 4.19Å; T262-W358 HydrophobicContact CG2-CE3 4.12Å; T262-W358 WeakPolarHBondContact CG2-O 3.49Å; V265-W358 HydrophobicContact CB-CZ3 4.29Å; V265-W358 HydrophobicContact CG1-CZ3 4.05Å; K266-W358 VanDerWaalsContact CA-CH2 3.43Å; K266-W358 HydrophobicContact CB-CE3 4.47Å; K266-W358 HydrophobicContact CB-CH2 3.72Å; K266-W358 HydrophobicContact CB-CZ2 3.86Å; K266-W358 HydrophobicContact CB-CZ3 4.02Å; K266-W358 HydrophobicContact CD-CD2 4.46Å; K266-W358 HydrophobicContact CD-CZ2 3.91Å; K266-W358 HydrophobicContact CG-CH2 3.94Å; K266-W358 HydrophobicContact CG-CZ2 3.57Å; Y273-W358 HydrophobicContact CD1-CH2 4.15Å; Y273-W358 HydrophobicContact CD1-CZ2 4.37Å; E354-W358 PolarHBondContact O-N 3.24Å; E354-W358 PolarHBondContact OE1-NE1 3.32Å; D355-W358 CarbonylContact O-C 3.38Å; D355-W358 PolarHBondContact O-N 2.87Å; T356-W358 VanDerWaalsContact C-N 3.32Å; W358-I361 HydrophobicContact CE3-CB 4.2Å; W358-I361 HydrophobicContact CE3-CD1 3.74Å; W358-I361 HydrophobicContact CE3-CG1 4.49Å; W358-I361 HydrophobicContact CE3-CG2 4.2Å; W358-I361 HydrophobicContact CH2-CD1 4.26Å; W358-I361 HydrophobicContact CZ3-CD1 3.59Å; W358-I361 HydrophobicContact CZ3-CG2 4.22Å; W358-I361 PolarHBondContact O-N 2.93Å; W358-A362 WeakPolarHBondContact O-CB 3.4Å; W358-A362 PolarHBondContact O-N 3.26Å
359	L	98.1	Very high	94.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-46.1	169.8	166.4	63	0	0	0	111.4	L258 I343 A347 D355 T356 F357 I361 A362 L363 W434 F438	L258-L359 HydrophobicContact CD1-CB 4.07Å; L258-L359 HydrophobicContact CD2-CB 3.88Å; L258-L359 HydrophobicContact CD2-CD1 3.79Å; L258-L359 HydrophobicContact CD2-CG 4.42Å; I343-L359 HydrophobicContact CG2-CD2 3.9Å; I343-L359 HydrophobicContact CG2-CG 4.38Å; A347-L359 HydrophobicContact CB-CD2 3.47Å; A347-L359 VanDerWaalsContact CB-CD2 3.47Å; D355-L359 PolarHBondContact O-N 2.92Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 2.9Å; F357-L359 VanDerWaalsContact C-N 3.31Å; F357-L359 PolarHBondContact O-N 2.73Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 2.63Å; L359-A362 WeakPolarHBondContact O-CB 3.25Å; L359-A362 PolarHBondContact O-N 3.3Å; L359-L363 HydrophobicContact CD1-CD1 4.1Å; L359-L363 HydrophobicContact CD1-CD2 4.41Å; L359-L363 HydrophobicContact CD1-CG 3.98Å; L359-L363 HydrophobicContact CG-CD1 4.28Å; L359-L363 VanDerWaalsContact O-CG 3.31Å; L359-L363 WeakPolarHBondContact O-CG 3.26Å; L359-L363 PolarHBondContact O-N 3.36Å; L359-W434 HydrophobicContact CD2-CZ3 4.35Å; L359-F438 HydrophobicContact CD1-CD1 4.41Å; L359-F438 HydrophobicContact CD1-CE1 3.41Å; L359-F438 VanDerWaalsContact CD1-CE1 3.41Å; L359-F438 HydrophobicContact CD1-CZ 3.83Å; L359-F438 HydrophobicContact CD2-CE1 4.49Å; L359-F438 HydrophobicContact CD2-CZ 4.11Å
360	L	97.6	Very high	93.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-40	178.6	-63.4	-177.3	0	0	0	111.8	V323 L324 F327 M340 I343 A344 T356 F357 L363 T364	V323-L360 HydrophobicContact CG1-CD1 3.71Å; V323-L360 HydrophobicContact CG1-CG 4.48Å; L324-L360 HydrophobicContact CD2-CD1 4.04Å; F327-L360 HydrophobicContact CB-CD1 3.9Å; F327-L360 HydrophobicContact CD2-CB 3.46Å; F327-L360 VanDerWaalsContact CD2-CB 3.46Å; F327-L360 HydrophobicContact CD2-CD1 4.27Å; F327-L360 HydrophobicContact CE2-CB 3.84Å; F327-L360 HydrophobicContact CG-CB 4.03Å; F327-L360 HydrophobicContact CG-CD1 3.97Å; M340-L360 HydrophobicContact CB-CD2 4.4Å; I343-L360 HydrophobicContact CG2-CD2 4.3Å; A344-L360 HydrophobicContact CB-CD1 4.45Å; T356-L360 PolarHBondContact O-N 3.41Å; T356-L360 VanDerWaalsContact O-N 3.16Å; F357-L360 PolarHBondContact O-N 3.43Å; F357-L360 VanDerWaalsContact O-N 3.16Å; L360-L363 HydrophobicContact CD2-CD1 4.45Å; L360-L363 PolarHBondContact O-N 2.99Å; L360-T364 PolarHBondContact O-N 3.45Å; L360-T364 VanDerWaalsContact O-N 3.12Å; L360-T364 PolarHBondContact O-OG1 3.06Å
361	I	96.5	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-47.1	172.1	-67.6	-177.2	0	0	0	111.1	V265 F327 F357 W358 L359 L363 T364 E365	V265-I361 HydrophobicContact CB-CG2 4.39Å; V265-I361 HydrophobicContact CG1-CG2 3.75Å; F327-I361 HydrophobicContact CD2-CG1 4.47Å; F357-I361 HydrophobicContact CD1-CD1 4.19Å; F357-I361 HydrophobicContact CE1-CD1 3.41Å; F357-I361 VanDerWaalsContact CE1-CD1 3.41Å; F357-I361 HydrophobicContact CE1-CG1 4.41Å; F357-I361 HydrophobicContact CE2-CD1 4.05Å; F357-I361 HydrophobicContact CE2-CG1 4.47Å; F357-I361 HydrophobicContact CZ-CD1 3.34Å; F357-I361 HydrophobicContact CZ-CG1 4.21Å; F357-I361 PolarHBondContact O-N 3.25Å; F357-I361 VanDerWaalsContact O-N 3.15Å; W358-I361 HydrophobicContact CE3-CB 4.2Å; W358-I361 HydrophobicContact CE3-CD1 3.74Å; W358-I361 HydrophobicContact CE3-CG1 4.49Å; W358-I361 HydrophobicContact CE3-CG2 4.2Å; W358-I361 HydrophobicContact CH2-CD1 4.26Å; W358-I361 HydrophobicContact CZ3-CD1 3.59Å; W358-I361 HydrophobicContact CZ3-CG2 4.22Å; W358-I361 PolarHBondContact O-N 2.93Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 2.63Å; I361-L363 PolarHBondContact O-N 3.23Å; I361-T364 PolarHBondContact O-N 2.82Å; I361-T364 VanDerWaalsContact O-N 3.09Å; I361-T364 PolarHBondContact O-OG1 3.03Å; I361-E365 HydrophobicContact CG2-CB 4.42Å; I361-E365 HydrophobicContact CG2-CG 4.35Å; I361-E365 WeakPolarHBondContact O-CB 3.44Å; I361-E365 PolarHBondContact O-N 2.83Å
362	A	96.1	Very high	92.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-56.4	-39.8	177.7	0	0	0	0	0	110.4	M261 T262 W358 L359 C366 Y367	M261-A362 HydrophobicContact CG-CB 4Å; T262-A362 HydrophobicContact CG2-CB 3.62Å; W358-A362 WeakPolarHBondContact O-CB 3.4Å; W358-A362 PolarHBondContact O-N 3.26Å; L359-A362 WeakPolarHBondContact O-CB 3.25Å; L359-A362 PolarHBondContact O-N 3.3Å; A362-C366 CarbonylContact O-C 3.44Å; A362-C366 VanDerWaalsContact O-CA 3.32Å; A362-C366 WeakPolarHBondContact O-CA 3.45Å; A362-C366 VanDerWaalsContact O-CB 3.25Å; A362-C366 WeakPolarHBondContact O-CB 3.29Å; A362-C366 PolarHBondContact O-N 3.2Å; A362-Y367 HydrophobicContact CB-CD2 3.92Å; A362-Y367 HydrophobicContact CB-CE2 3.81Å; A362-Y367 WeakPolarHBondContact O-CD2 3.36Å; A362-Y367 PolarHBondContact O-N 2.68Å
363	L	94.3	Very high	92	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.076	C	C	.	.	I	π-helix	trans	-65	-43.2	176.9	-69.2	174.9	0	0	0	112.6	I343 L359 L360 I361 Y367 F368 Y373 L420 F437	I343-L363 HydrophobicContact CD1-CD1 3.91Å; I343-L363 HydrophobicContact CG2-CD1 3.7Å; L359-L363 HydrophobicContact CD1-CD1 4.1Å; L359-L363 HydrophobicContact CD1-CD2 4.41Å; L359-L363 HydrophobicContact CD1-CG 3.98Å; L359-L363 HydrophobicContact CG-CD1 4.28Å; L359-L363 VanDerWaalsContact O-CG 3.31Å; L359-L363 WeakPolarHBondContact O-CG 3.26Å; L359-L363 PolarHBondContact O-N 3.36Å; L360-L363 HydrophobicContact CD2-CD1 4.45Å; L360-L363 PolarHBondContact O-N 2.99Å; I361-L363 PolarHBondContact O-N 3.23Å; L363-Y367 HydrophobicContact CD2-CD2 3.94Å; L363-F368 HydrophobicContact CB-CD2 4.5Å; L363-F368 HydrophobicContact CD2-CD2 4.09Å; L363-F368 HydrophobicContact CD2-CE2 3.84Å; L363-F368 WeakPolarHBondContact O-CA 3.22Å; L363-F368 WeakPolarHBondContact O-CB 3.27Å; L363-F368 WeakPolarHBondContact O-CD2 3.41Å; L363-F368 PolarHBondContact O-N 3.26Å; L363-Y373 HydrophobicContact CB-CE2 4.27Å; L363-L420 HydrophobicContact CD1-CD1 4.03Å; L363-L420 HydrophobicContact CD2-CD1 3.6Å; L363-L420 HydrophobicContact CG-CD1 4.49Å; L363-F437 HydrophobicContact CD2-CE1 3.62Å; L363-F437 HydrophobicContact CD2-CZ 3.49Å; L363-F437 VanDerWaalsContact CD2-CZ 3.49Å
364	T	92	Very high	91.3	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.078	C	C	.	.	I	π-helix	trans	-91.1	-16.1	-172.4	59.2	0	0	0	0	115.3	F327 I334 M340 L360 I361 F368 Y373	F327-T364 HydrophobicContact CE2-CG2 4.03Å; F327-T364 HydrophobicContact CZ-CG2 3.57Å; I334-T364 HydrophobicContact CD1-CG2 3.93Å; M340-T364 HydrophobicContact CE-CG2 3.96Å; L360-T364 PolarHBondContact O-N 3.45Å; L360-T364 VanDerWaalsContact O-N 3.12Å; L360-T364 PolarHBondContact O-OG1 3.06Å; I361-T364 PolarHBondContact O-N 2.82Å; I361-T364 VanDerWaalsContact O-N 3.09Å; I361-T364 PolarHBondContact O-OG1 3.03Å; T364-F368 CarbonylContact C-O 3.53Å; T364-F368 VanDerWaalsContact C-O 3.3Å; T364-Y373 HydrophobicContact CG2-CD2 3.71Å; T364-Y373 HydrophobicContact CG2-CE2 4.29Å; T364-Y373 HydrophobicContact CG2-CG 4.43Å
365	E	91.6	Very high	90.7	Very high	85 Å²	85	18.4 Å²	18.4	40%	0.397	10%	0.103	S	C	.	.	I	π-helix	trans	-126	-18	-175.5	-57.5	-166.9	-177.5	0	0	113.9	V265 H330 I361	V265-E365 WeakPolarHBondContact CG1-OE2 3.36Å; H330-E365 IonicContact CE1-OE1 2.87Å; H330-E365 IonicContact NE2-OE1 3.7Å; H330-E365 PolarHBondContact NE2-OE1 3.06Å; I361-E365 HydrophobicContact CG2-CB 4.42Å; I361-E365 HydrophobicContact CG2-CG 4.35Å; I361-E365 WeakPolarHBondContact O-CB 3.44Å; I361-E365 PolarHBondContact O-N 2.83Å
366	C	91.5	Very high	90	Very high	17 Å²	17	22.1 Å²	22.1	12%	0.115	12%	0.122	C	C	.	.	I	π-helix	trans	-113.2	-66.2	-178.7	-49.7	0	0	0	0	110.8	L41 M261 A362	L41-C366 WeakPolarHBondContact CD1-O 3.5Å; L41-C366 WeakPolarHBondContact CD2-O 3.49Å; L41-C366 WeakPolarHBondContact CG-O 3.47Å; M261-C366 HydrophobicContact CG-CB 3.74Å; M261-C366 HydrophobicContact SD-CB 3.63Å; A362-C366 CarbonylContact O-C 3.44Å; A362-C366 VanDerWaalsContact O-CA 3.32Å; A362-C366 WeakPolarHBondContact O-CA 3.45Å; A362-C366 VanDerWaalsContact O-CB 3.25Å; A362-C366 WeakPolarHBondContact O-CB 3.29Å; A362-C366 PolarHBondContact O-N 3.2Å
367	Y	89.3	Confident	89.4	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-69.9	-47.3	-176.8	-67.6	-59.7	0	0	0	113.1	L41 M261 A362 L363 F437 F438 P442	L41-Y367 VanDerWaalsContact CD2-CA 3.46Å; L41-Y367 WeakPolarHBondContact CD2-O 3.48Å; M261-Y367 HydrophobicContact CE-CD1 4.24Å; M261-Y367 HydrophobicContact CE-CE1 3.46Å; M261-Y367 VanDerWaalsContact CE-CE1 3.46Å; M261-Y367 HydrophobicContact CG-CE1 4.27Å; M261-Y367 HydrophobicContact CG-CE2 3.94Å; M261-Y367 HydrophobicContact SD-CD1 4.41Å; M261-Y367 HydrophobicContact SD-CE1 4.07Å; A362-Y367 HydrophobicContact CB-CD2 3.92Å; A362-Y367 HydrophobicContact CB-CE2 3.81Å; A362-Y367 WeakPolarHBondContact O-CD2 3.36Å; A362-Y367 PolarHBondContact O-N 2.68Å; L363-Y367 HydrophobicContact CD2-CD2 3.94Å; Y367-F437 HydrophobicContact CD1-CE1 4.47Å; Y367-F437 HydrophobicContact CD1-CZ 4.15Å; Y367-F437 AromaticContact CD2-CE1 3.81Å; Y367-F437 HydrophobicContact CD2-CE1 3.81Å; Y367-F437 AromaticContact CD2-CZ 3.83Å; Y367-F437 HydrophobicContact CD2-CZ 3.83Å; Y367-F437 HydrophobicContact CE1-CE1 4.48Å; Y367-F437 AromaticContact CE2-CE1 3.86Å; Y367-F437 HydrophobicContact CE2-CE1 3.86Å; Y367-F437 HydrophobicContact CE2-CZ 4.32Å; Y367-F437 HydrophobicContact CG-CE1 4.12Å; Y367-F437 AromaticContact CG-CZ 3.73Å; Y367-F437 HydrophobicContact CG-CZ 3.73Å; Y367-F438 HydrophobicContact CE2-CD1 4.49Å; Y367-F438 WeakPolarHBondContact OH-CA 3.39Å; Y367-F438 PolarHBondContact OH-O 3.4Å; Y367-P442 WeakPolarHBondContact O-CG 3.4Å
368	F	87.4	Confident	88.5	Confident	3 Å²	3	24.5 Å²	24.5	1%	0.013	14%	0.135	C	C	.	.	S	Bend	trans	-117.6	155.4	179.6	-56.5	-78	0	0	0	110.4	L363 T364 Y372 Y373 L420 F437 P442 I445	L363-F368 HydrophobicContact CB-CD2 4.5Å; L363-F368 HydrophobicContact CD2-CD2 4.09Å; L363-F368 HydrophobicContact CD2-CE2 3.84Å; L363-F368 WeakPolarHBondContact O-CA 3.22Å; L363-F368 WeakPolarHBondContact O-CB 3.27Å; L363-F368 WeakPolarHBondContact O-CD2 3.41Å; L363-F368 PolarHBondContact O-N 3.26Å; T364-F368 CarbonylContact C-O 3.53Å; T364-F368 VanDerWaalsContact C-O 3.3Å; F368-Y372 HydrophobicContact CB-CD1 4.33Å; F368-Y372 HydrophobicContact CB-CD2 3.9Å; F368-Y372 HydrophobicContact CB-CG 3.72Å; F368-Y372 HydrophobicContact CD1-CD1 4.45Å; F368-Y372 AromaticContact CD1-CD2 3.44Å; F368-Y372 HydrophobicContact CD1-CD2 3.44Å; F368-Y372 VanDerWaalsContact CD1-CD2 3.44Å; F368-Y372 HydrophobicContact CD1-CE1 4.38Å; F368-Y372 AromaticContact CD1-CE2 3.35Å; F368-Y372 HydrophobicContact CD1-CE2 3.35Å; F368-Y372 HydrophobicContact CD1-CG 4Å; F368-Y372 AromaticContact CD1-CZ 3.85Å; F368-Y372 HydrophobicContact CD2-CD1 4.49Å; F368-Y372 HydrophobicContact CE1-CD2 4.13Å; F368-Y372 HydrophobicContact CE1-CE1 4.45Å; F368-Y372 AromaticContact CE1-CE2 3.53Å; F368-Y372 HydrophobicContact CE1-CE2 3.53Å; F368-Y372 AromaticContact CE1-CZ 3.71Å; F368-Y372 HydrophobicContact CG-CD1 4.19Å; F368-Y372 AromaticContact CG-CD2 3.82Å; F368-Y372 HydrophobicContact CG-CD2 3.82Å; F368-Y372 HydrophobicContact CG-CE1 4.39Å; F368-Y372 HydrophobicContact CG-CE2 4.03Å; F368-Y372 AromaticContact CG-CG 3.88Å; F368-Y372 HydrophobicContact CG-CG 3.88Å; F368-Y372 HydrophobicContact CZ-CE2 4.36Å; F368-Y373 HydrophobicContact CD2-CE2 4.39Å; F368-L420 HydrophobicContact CE2-CD2 3.87Å; F368-L420 HydrophobicContact CZ-CD2 3.87Å; F368-F437 AromaticContact CE2-CE2 3.97Å; F368-F437 HydrophobicContact CE2-CE2 3.97Å; F368-F437 AromaticContact CE2-CZ 3.79Å; F368-F437 HydrophobicContact CE2-CZ 3.79Å; F368-F437 AromaticContact CZ-CE2 3.89Å; F368-F437 HydrophobicContact CZ-CE2 3.89Å; F368-F437 HydrophobicContact CZ-CZ 4.2Å; F368-P442 HydrophobicContact CD1-CB 4.29Å; F368-P442 HydrophobicContact CD1-CG 4.23Å; F368-P442 HydrophobicContact CE1-CB 3.68Å; F368-P442 HydrophobicContact CE1-CG 3.99Å; F368-P442 HydrophobicContact CZ-CB 4.13Å; F368-P442 HydrophobicContact CZ-CG 4.34Å; F368-I445 HydrophobicContact CE1-CD1 3.67Å; F368-I445 HydrophobicContact CZ-CD1 3.51Å
369	P	81.2	Confident	87.6	Confident	15 Å²	15	24.3 Å²	24.3	10%	0.097	14%	0.135	C	C	.	.			trans	-73.2	161.6	173.4	24.4	-26.3	0	0	0	110.2	L42 F44 E371 Y372	L42-P369 HydrophobicContact CB-CG 3.95Å; L42-P369 HydrophobicContact CD2-CG 4.43Å; L42-P369 HydrophobicContact CG-CG 4.43Å; L42-P369 VanDerWaalsContact O-CB 3.31Å; L42-P369 WeakPolarHBondContact O-CB 3.35Å; L42-P369 WeakPolarHBondContact O-CD 3.41Å; L42-P369 WeakPolarHBondContact O-CG 3.38Å; F44-P369 HydrophobicContact CB-CB 4.36Å; F44-P369 HydrophobicContact CD2-CB 3.32Å; F44-P369 HydrophobicContact CD2-CG 2.99Å; F44-P369 HydrophobicContact CE2-CB 3.82Å; F44-P369 HydrophobicContact CE2-CG 2.94Å; F44-P369 HydrophobicContact CG-CB 4.03Å; F44-P369 HydrophobicContact CG-CG 4.05Å; F44-P369 HydrophobicContact CZ-CG 3.94Å; P369-E371 PolarHBondContact O-N 3.1Å; P369-E371 VanDerWaalsContact O-N 3.13Å; P369-Y372 VanDerWaalsContact O-CB 3.24Å; P369-Y372 WeakPolarHBondContact O-CB 3.34Å; P369-Y372 PolarHBondContact O-N 2.98Å
370	E	73.5	Confident	86.8	Confident	66 Å²	66	24.2 Å²	24.2	31%	0.308	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-57.2	-33.5	-174.2	-162.8	-169.3	171.8	0	0	112.4	K333 I334 Y372	K333-E370 VanDerWaalsContact CD-OE1 3.23Å; K333-E370 WeakPolarHBondContact CD-OE1 3.4Å; K333-E370 VanDerWaalsContact CE-OE1 3.25Å; K333-E370 WeakPolarHBondContact CE-OE1 3.15Å; K333-E370 IonicContact NZ-OE1 3.76Å; K333-E370 PolarHBondContact NZ-OE1 3.13Å; K333-E370 IonicContact NZ-OE2 2.94Å; K333-E370 PolarHBondContact NZ-OE2 3.39Å; I334-E370 HydrophobicContact CD1-CG 4.2Å; E370-Y372 PolarHBondContact O-N 2.82Å
371	E	79.8	Confident	86.2	Confident	30 Å²	30	29.2 Å²	29.2	14%	0.14	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-72.1	-7.5	179.9	-62.7	80	-175.8	0	0	114.1	Y31 F44 P369 D374 G379	Y31-E371 HydrophobicContact CD1-CG 4.47Å; Y31-E371 HydrophobicContact CE1-CG 4.3Å; F44-E371 VanDerWaalsContact CB-OE2 3.31Å; F44-E371 WeakPolarHBondContact CB-OE2 3.46Å; F44-E371 HydrophobicContact CD1-CB 3.77Å; F44-E371 HydrophobicContact CD1-CG 3.93Å; F44-E371 HydrophobicContact CE1-CB 3.86Å; F44-E371 HydrophobicContact CE1-CG 4.5Å; F44-E371 HydrophobicContact CG-CB 4.37Å; F44-E371 HydrophobicContact CG-CG 4.44Å; F44-E371 WeakPolarHBondContact CG-OE2 3.48Å; P369-E371 PolarHBondContact O-N 3.1Å; P369-E371 VanDerWaalsContact O-N 3.13Å; E371-D374 VanDerWaalsContact O-CG 3.31Å; E371-G379 PolarHBondContact O-N 3.23Å
372	Y	85.2	Confident	85.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-66.3	-40.5	-177.6	-164.2	-83.6	0	0	0	112.9	F368 P369 E370 A380 S383 F417	F368-Y372 HydrophobicContact CB-CD1 4.33Å; F368-Y372 HydrophobicContact CB-CD2 3.9Å; F368-Y372 HydrophobicContact CB-CG 3.72Å; F368-Y372 HydrophobicContact CD1-CD1 4.45Å; F368-Y372 AromaticContact CD1-CD2 3.44Å; F368-Y372 HydrophobicContact CD1-CD2 3.44Å; F368-Y372 VanDerWaalsContact CD1-CD2 3.44Å; F368-Y372 HydrophobicContact CD1-CE1 4.38Å; F368-Y372 AromaticContact CD1-CE2 3.35Å; F368-Y372 HydrophobicContact CD1-CE2 3.35Å; F368-Y372 HydrophobicContact CD1-CG 4Å; F368-Y372 AromaticContact CD1-CZ 3.85Å; F368-Y372 HydrophobicContact CD2-CD1 4.49Å; F368-Y372 HydrophobicContact CE1-CD2 4.13Å; F368-Y372 HydrophobicContact CE1-CE1 4.45Å; F368-Y372 AromaticContact CE1-CE2 3.53Å; F368-Y372 HydrophobicContact CE1-CE2 3.53Å; F368-Y372 AromaticContact CE1-CZ 3.71Å; F368-Y372 HydrophobicContact CG-CD1 4.19Å; F368-Y372 AromaticContact CG-CD2 3.82Å; F368-Y372 HydrophobicContact CG-CD2 3.82Å; F368-Y372 HydrophobicContact CG-CE1 4.39Å; F368-Y372 HydrophobicContact CG-CE2 4.03Å; F368-Y372 AromaticContact CG-CG 3.88Å; F368-Y372 HydrophobicContact CG-CG 3.88Å; F368-Y372 HydrophobicContact CZ-CE2 4.36Å; P369-Y372 VanDerWaalsContact O-CB 3.24Å; P369-Y372 WeakPolarHBondContact O-CB 3.34Å; P369-Y372 PolarHBondContact O-N 2.98Å; E370-Y372 PolarHBondContact O-N 2.82Å; Y372-A380 HydrophobicContact CD1-CB 4.41Å; Y372-A380 HydrophobicContact CE1-CB 4.1Å; Y372-S383 VanDerWaalsContact CE2-OG 3.27Å; Y372-S383 WeakPolarHBondContact CE2-OG 3.34Å; Y372-F417 WeakPolarHBondContact OH-CB 3.16Å; Y372-F417 PolarHBondContact OH-O 3.2Å
373	Y	87.8	Confident	84.9	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.012	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-109.7	21	179.1	-65.9	-81.9	0	0	0	112.4	I334 C337 M340 L363 T364 F368 I418	I334-Y373 WeakPolarHBondContact CG2-O 3.35Å; C337-Y373 HydrophobicContact CB-CD1 3.98Å; M340-Y373 HydrophobicContact CE-CD1 3.81Å; M340-Y373 HydrophobicContact CE-CD2 4.12Å; M340-Y373 HydrophobicContact CE-CE1 4.43Å; M340-Y373 HydrophobicContact CE-CG 3.62Å; M340-Y373 HydrophobicContact CG-CD1 4.46Å; L363-Y373 HydrophobicContact CB-CE2 4.27Å; T364-Y373 HydrophobicContact CG2-CD2 3.71Å; T364-Y373 HydrophobicContact CG2-CE2 4.29Å; T364-Y373 HydrophobicContact CG2-CG 4.43Å; F368-Y373 HydrophobicContact CD2-CE2 4.39Å; Y373-I418 HydrophobicContact CD1-CD1 3.64Å; Y373-I418 HydrophobicContact CE1-CD1 3.64Å; Y373-I418 HydrophobicContact CE1-CG1 4.4Å; Y373-I418 WeakPolarHBondContact CE1-O 3.06Å
374	D	83.9	Confident	84.6	Confident	21 Å²	21	29.9 Å²	29.9	11%	0.112	16%	0.157	C	C	.	.	S	Bend	trans	-63.8	169	175.6	76.1	-1.5	0	0	0	111.9	E371 L376 L377 T378	E371-D374 VanDerWaalsContact O-CG 3.31Å; D374-L376 PolarHBondContact O-N 3.21Å; D374-L376 WeakPolarHBondContact OD1-CA 3.31Å; D374-L376 PolarHBondContact OD1-N 3.38Å; D374-L376 VanDerWaalsContact OD1-N 3.08Å; D374-L377 VanDerWaalsContact O-CD2 3.27Å; D374-L377 WeakPolarHBondContact O-CD2 3.36Å; D374-L377 PolarHBondContact O-N 2.97Å; D374-L377 WeakPolarHBondContact OD1-CA 3.46Å; D374-L377 PolarHBondContact OD1-N 3.33Å; D374-T378 PolarHBondContact OD1-N 2.85Å; D374-T378 PolarHBondContact OD1-OG1 3.08Å; D374-T378 PolarHBondContact OD2-OG1 2.87Å
375	S	85.3	Confident	84.3	Confident	117 Å²	117	31.4 Å²	31.4	82%	0.818	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.8	179.7	61.7	0	0	0	0	114.9
376	L	83.7	Confident	84.1	Confident	96 Å²	96	28.2 Å²	28.2	50%	0.503	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-7.8	179.8	-62	179.5	0	0	0	112.6	D374 T378 R381	D374-L376 PolarHBondContact O-N 3.21Å; D374-L376 WeakPolarHBondContact OD1-CA 3.31Å; D374-L376 PolarHBondContact OD1-N 3.38Å; D374-L376 VanDerWaalsContact OD1-N 3.08Å; L376-T378 PolarHBondContact O-N 3.43Å; L376-R381 PolarHBondContact O-NE 3.33Å
377	L	85.6	Confident	84	Confident	39 Å²	39	27.4 Å²	27.4	20%	0.204	14%	0.144	C	C	.	.			trans	53.2	41.1	-173.4	-51.7	172.9	0	0	0	111	C337 D374 G379 A380 R381 F414 I418	C337-L377 WeakPolarHBondContact SG-CD2 3.43Å; D374-L377 VanDerWaalsContact O-CD2 3.27Å; D374-L377 WeakPolarHBondContact O-CD2 3.36Å; D374-L377 PolarHBondContact O-N 2.97Å; D374-L377 WeakPolarHBondContact OD1-CA 3.46Å; D374-L377 PolarHBondContact OD1-N 3.33Å; L377-G379 PolarHBondContact O-N 3.08Å; L377-A380 HydrophobicContact CB-CB 4.34Å; L377-A380 PolarHBondContact O-N 2.99Å; L377-R381 VanDerWaalsContact O-CG 3.31Å; L377-R381 WeakPolarHBondContact O-CG 3.5Å; L377-R381 PolarHBondContact O-N 3.35Å; L377-F414 HydrophobicContact CB-CE2 4.42Å; L377-F414 HydrophobicContact CB-CZ 4.06Å; L377-F414 HydrophobicContact CD1-CE1 4.15Å; L377-F414 HydrophobicContact CD1-CZ 3.57Å; L377-F414 HydrophobicContact CG-CZ 4.38Å; L377-I418 HydrophobicContact CD2-CD1 3.93Å
378	T	81.1	Confident	84.1	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-49.5	-171	-55.3	0	0	0	0	110.9	Y31 D374 L376 R381 A382	Y31-T378 HydrophobicContact CD2-CG2 3.73Å; Y31-T378 HydrophobicContact CE2-CG2 4.12Å; Y31-T378 HydrophobicContact CG-CG2 4.25Å; D374-T378 PolarHBondContact OD1-N 2.85Å; D374-T378 PolarHBondContact OD1-OG1 3.08Å; D374-T378 PolarHBondContact OD2-OG1 2.87Å; L376-T378 PolarHBondContact O-N 3.43Å; T378-R381 PolarHBondContact O-N 2.95Å; T378-A382 WeakPolarHBondContact O-CB 3.47Å; T378-A382 PolarHBondContact O-N 2.91Å
379	G	77.3	Confident	84.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-37.4	-179.9	0	0	0	0	0	113.4	E371 L377 R381 A382 S383	E371-G379 PolarHBondContact O-N 3.23Å; L377-G379 PolarHBondContact O-N 3.08Å; G379-R381 VanDerWaalsContact C-N 3.31Å; G379-R381 PolarHBondContact O-N 2.89Å; G379-A382 WeakPolarHBondContact O-CB 3.5Å; G379-A382 PolarHBondContact O-N 3.18Å; G379-S383 PolarHBondContact O-N 2.95Å; G379-S383 PolarHBondContact O-OG 2.98Å
380	A	82.6	Confident	84.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-37.5	174.5	0	0	0	0	0	112.4	Y372 L377 S383 Q384 F414 I418	Y372-A380 HydrophobicContact CD1-CB 4.41Å; Y372-A380 HydrophobicContact CE1-CB 4.1Å; L377-A380 HydrophobicContact CB-CB 4.34Å; L377-A380 PolarHBondContact O-N 2.99Å; A380-S383 WeakPolarHBondContact O-CB 3.42Å; A380-S383 PolarHBondContact O-N 3.38Å; A380-Q384 PolarHBondContact O-N 2.71Å; A380-F414 HydrophobicContact CB-CE2 3.96Å; A380-F414 HydrophobicContact CB-CZ 4.36Å; A380-I418 HydrophobicContact CB-CD1 3.85Å
381	R	84	Confident	85.4	Confident	106 Å²	106	27.2 Å²	27.2	40%	0.4	14%	0.144	S	C	.	.	H	α-helix	trans	-67	-43.1	172.1	-70.2	173.9	-175.4	-158.2	2.1	111.8	L376 L377 T378 G379 S383 Q384 E385 F414	L376-R381 PolarHBondContact O-NE 3.33Å; L377-R381 VanDerWaalsContact O-CG 3.31Å; L377-R381 WeakPolarHBondContact O-CG 3.5Å; L377-R381 PolarHBondContact O-N 3.35Å; T378-R381 PolarHBondContact O-N 2.95Å; G379-R381 VanDerWaalsContact C-N 3.31Å; G379-R381 PolarHBondContact O-N 2.89Å; R381-S383 PolarHBondContact O-N 3.44Å; R381-Q384 WeakPolarHBondContact O-CB 3.23Å; R381-Q384 PolarHBondContact O-N 3.02Å; R381-E385 PolarHBondContact O-N 2.95Å; R381-F414 HydrophobicContact CG-CE2 4.28Å
382	A	81.4	Confident	86	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-36.9	174.7	0	0	0	0	0	111.7	F33 T378 G379 Q384 E385 V386	F33-A382 HydrophobicContact CD1-CB 4.49Å; F33-A382 HydrophobicContact CE1-CB 3.92Å; F33-A382 HydrophobicContact CZ-CB 3.96Å; T378-A382 WeakPolarHBondContact O-CB 3.47Å; T378-A382 PolarHBondContact O-N 2.91Å; G379-A382 WeakPolarHBondContact O-CB 3.5Å; G379-A382 PolarHBondContact O-N 3.18Å; A382-Q384 VanDerWaalsContact C-N 3.29Å; A382-Q384 PolarHBondContact O-N 2.94Å; A382-E385 WeakPolarHBondContact O-CB 3.43Å; A382-E385 PolarHBondContact O-N 3Å; A382-E385 VanDerWaalsContact O-N 3.1Å; A382-V386 WeakPolarHBondContact O-CG2 3.27Å; A382-V386 PolarHBondContact O-N 3.46Å
383	S	84.8	Confident	86.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-34.3	174.2	-65	0	0	0	0	113.9	Y372 G379 A380 R381 E385 V386 L387 Y446	Y372-S383 VanDerWaalsContact CE2-OG 3.27Å; Y372-S383 WeakPolarHBondContact CE2-OG 3.34Å; G379-S383 PolarHBondContact O-N 2.95Å; G379-S383 PolarHBondContact O-OG 2.98Å; A380-S383 WeakPolarHBondContact O-CB 3.42Å; A380-S383 PolarHBondContact O-N 3.38Å; R381-S383 PolarHBondContact O-N 3.44Å; S383-E385 VanDerWaalsContact C-N 3.33Å; S383-V386 PolarHBondContact O-N 3.41Å; S383-L387 PolarHBondContact O-N 3.43Å; S383-Y446 WeakPolarHBondContact CB-OH 3.27Å; S383-Y446 WeakPolarHBondContact O-CE1 3.35Å; S383-Y446 PolarHBondContact OG-OH 3.22Å
384	Q	87.3	Confident	86.2	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-35.5	174.7	-54	-171.4	-78.7	0	0	111.8	A380 R381 A382 L387 K388 S410 S413 F417	A380-Q384 PolarHBondContact O-N 2.71Å; R381-Q384 WeakPolarHBondContact O-CB 3.23Å; R381-Q384 PolarHBondContact O-N 3.02Å; A382-Q384 VanDerWaalsContact C-N 3.29Å; A382-Q384 PolarHBondContact O-N 2.94Å; Q384-L387 WeakPolarHBondContact O-CB 3.37Å; Q384-L387 PolarHBondContact O-N 3.48Å; Q384-K388 WeakPolarHBondContact O-CG 3.5Å; Q384-K388 PolarHBondContact O-N 2.82Å; Q384-S410 WeakPolarHBondContact CB-OG 3.48Å; Q384-S410 PolarHBondContact NE2-O 2.96Å; Q384-S413 PolarHBondContact NE2-OG 3.31Å; Q384-F417 HydrophobicContact CG-CD2 4Å; Q384-F417 HydrophobicContact CG-CE2 4.34Å
385	E	86.9	Confident	86.6	Confident	36 Å²	36	34.2 Å²	34.2	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-41.3	175.2	-61.9	-57.4	123.8	0	0	111.3	R7 L9 R381 A382 S383 L387 K388 D389	R7-E385 VanDerWaalsContact CD-OE2 3.23Å; R7-E385 WeakPolarHBondContact CD-OE2 3.47Å; R7-E385 IonicContact CZ-OE2 3.82Å; R7-E385 IonicContact NE-OE2 2.92Å; R7-E385 PolarHBondContact NE-OE2 3.12Å; R7-E385 IonicContact NH1-OE2 3.64Å; R7-E385 PolarHBondContact NH1-OE2 3.25Å; L9-E385 HydrophobicContact CD2-CG 4.36Å; R381-E385 PolarHBondContact O-N 2.95Å; A382-E385 WeakPolarHBondContact O-CB 3.43Å; A382-E385 PolarHBondContact O-N 3Å; A382-E385 VanDerWaalsContact O-N 3.1Å; S383-E385 VanDerWaalsContact C-N 3.33Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 3.19Å; E385-K388 WeakPolarHBondContact O-CB 3.36Å; E385-K388 PolarHBondContact O-N 2.97Å; E385-K388 VanDerWaalsContact O-N 3.14Å; E385-K388 WeakPolarHBondContact OE1-CE 3.49Å; E385-K388 IonicContact OE1-NZ 3.31Å; E385-K388 PolarHBondContact OE1-NZ 3.08Å; E385-D389 VanDerWaalsContact O-CG 3.31Å; E385-D389 PolarHBondContact O-N 2.93Å
386	V	86.3	Confident	87	Confident	18 Å²	18	32.1 Å²	32.1	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-41.7	171.6	173.1	0	0	0	0	110.9	F33 A382 S383 K388 D389 I390 Y446 I507	F33-V386 HydrophobicContact CE2-CG2 4.01Å; F33-V386 HydrophobicContact CZ-CG2 4.45Å; A382-V386 WeakPolarHBondContact O-CG2 3.27Å; A382-V386 PolarHBondContact O-N 3.46Å; S383-V386 PolarHBondContact O-N 3.41Å; V386-K388 PolarHBondContact O-N 2.85Å; V386-D389 PolarHBondContact O-N 3.3Å; V386-I390 HydrophobicContact CG1-CD1 3.78Å; V386-I390 WeakPolarHBondContact O-CB 3.49Å; V386-I390 WeakPolarHBondContact O-CD1 3.35Å; V386-I390 VanDerWaalsContact O-CG1 3.27Å; V386-I390 WeakPolarHBondContact O-CG1 3.44Å; V386-I390 PolarHBondContact O-N 3.46Å; V386-Y446 HydrophobicContact CB-CD1 4.33Å; V386-Y446 HydrophobicContact CB-CE1 3.79Å; V386-Y446 HydrophobicContact CG1-CD1 3.81Å; V386-Y446 HydrophobicContact CG1-CE1 3.62Å; V386-I507 HydrophobicContact CG2-CD1 4.22Å
387	L	90.8	Very high	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174	177.4	63.7	0	0	0	112.2	S383 Q384 E385 D389 I390 L391 W416 F417 A449 L453	S383-L387 PolarHBondContact O-N 3.43Å; Q384-L387 WeakPolarHBondContact O-CB 3.37Å; Q384-L387 PolarHBondContact O-N 3.48Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 3.19Å; L387-D389 VanDerWaalsContact C-N 3.33Å; L387-D389 PolarHBondContact O-N 3.04Å; L387-I390 WeakPolarHBondContact O-CB 3.36Å; L387-I390 PolarHBondContact O-N 2.72Å; L387-L391 HydrophobicContact CD1-CD1 4.12Å; L387-L391 HydrophobicContact CD1-CG 4.14Å; L387-L391 HydrophobicContact CG-CD1 3.88Å; L387-L391 HydrophobicContact CG-CG 4.37Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 WeakPolarHBondContact O-CG 3.44Å; L387-L391 PolarHBondContact O-N 2.85Å; L387-W416 HydrophobicContact CD2-CZ3 4.5Å; L387-F417 HydrophobicContact CB-CE2 4.15Å; L387-F417 HydrophobicContact CB-CZ 3.84Å; L387-F417 HydrophobicContact CD2-CE2 3.74Å; L387-F417 HydrophobicContact CD2-CZ 3.89Å; L387-F417 HydrophobicContact CG-CZ 4.3Å; L387-A449 HydrophobicContact CD1-CB 3.88Å; L387-A449 HydrophobicContact CD2-CB 4.23Å; L387-L453 HydrophobicContact CD1-CD1 4.44Å; L387-L453 HydrophobicContact CD2-CD1 4.18Å
388	K	91.2	Very high	88.1	Confident	21 Å²	21	33 Å²	33	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-46	176.4	-69.9	170	-176.5	175.8	0	111.1	Q384 E385 V386 I390 L391 V392 M399 D408 I409 S410	Q384-K388 WeakPolarHBondContact O-CG 3.5Å; Q384-K388 PolarHBondContact O-N 2.82Å; E385-K388 WeakPolarHBondContact O-CB 3.36Å; E385-K388 PolarHBondContact O-N 2.97Å; E385-K388 VanDerWaalsContact O-N 3.14Å; E385-K388 WeakPolarHBondContact OE1-CE 3.49Å; E385-K388 IonicContact OE1-NZ 3.31Å; E385-K388 PolarHBondContact OE1-NZ 3.08Å; V386-K388 PolarHBondContact O-N 2.85Å; K388-I390 VanDerWaalsContact C-N 3.31Å; K388-I390 PolarHBondContact O-N 3.16Å; K388-L391 PolarHBondContact O-N 2.87Å; K388-L391 VanDerWaalsContact O-N 3.11Å; K388-V392 WeakPolarHBondContact O-CG2 3.27Å; K388-V392 PolarHBondContact O-N 2.93Å; K388-M399 HydrophobicContact CB-CE 4.19Å; K388-M399 HydrophobicContact CG-CE 4.3Å; K388-D408 WeakPolarHBondContact CE-OD1 3.34Å; K388-D408 IonicContact NZ-OD1 3.56Å; K388-D408 PolarHBondContact NZ-OD1 3.25Å; K388-D408 IonicContact NZ-OD2 3.82Å; K388-D408 PolarHBondContact NZ-OD2 3.46Å; K388-I409 HydrophobicContact CD-CG2 4.36Å; K388-I409 HydrophobicContact CG-CG2 3.63Å; K388-S410 WeakPolarHBondContact CE-OG 3.47Å; K388-S410 PolarHBondContact NZ-OG 3.33Å; K388-S410 VanDerWaalsContact NZ-OG 3.13Å
389	D	88.1	Confident	88.8	Confident	48 Å²	48	33 Å²	33	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-66.9	-35.3	-177.3	-64.5	-5.4	0	0	0	112.1	R7 E385 V386 L387 Q393 I507	R7-D389 IonicContact CZ-OD1 2.78Å; R7-D389 IonicContact NH1-OD1 3.08Å; R7-D389 PolarHBondContact NH1-OD1 3.26Å; R7-D389 IonicContact NH2-OD1 3.9Å; E385-D389 VanDerWaalsContact O-CG 3.31Å; E385-D389 PolarHBondContact O-N 2.93Å; V386-D389 PolarHBondContact O-N 3.3Å; L387-D389 VanDerWaalsContact C-N 3.33Å; L387-D389 PolarHBondContact O-N 3.04Å; D389-Q393 PolarHBondContact O-NE2 2.91Å; D389-I507 HydrophobicContact CB-CD1 4.44Å; D389-I507 WeakPolarHBondContact OD2-CD1 3.42Å
390	I	89	Confident	89.6	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-49	169	-81.4	162.4	0	0	0	111.6	V386 L387 K388 V392 Q393 K394 Y446 T450 F497	V386-I390 HydrophobicContact CG1-CD1 3.78Å; V386-I390 WeakPolarHBondContact O-CB 3.49Å; V386-I390 WeakPolarHBondContact O-CD1 3.35Å; V386-I390 VanDerWaalsContact O-CG1 3.27Å; V386-I390 WeakPolarHBondContact O-CG1 3.44Å; V386-I390 PolarHBondContact O-N 3.46Å; L387-I390 WeakPolarHBondContact O-CB 3.36Å; L387-I390 PolarHBondContact O-N 2.72Å; K388-I390 VanDerWaalsContact C-N 3.31Å; K388-I390 PolarHBondContact O-N 3.16Å; I390-V392 VanDerWaalsContact C-N 3.27Å; I390-V392 PolarHBondContact O-N 3.46Å; I390-Q393 PolarHBondContact O-N 2.92Å; I390-K394 PolarHBondContact O-N 3.45Å; I390-Y446 HydrophobicContact CD1-CD1 4.18Å; I390-Y446 HydrophobicContact CD1-CG 4.39Å; I390-T450 HydrophobicContact CG2-CG2 3.63Å; I390-T450 WeakPolarHBondContact CG2-OG1 3.24Å; I390-F497 HydrophobicContact CB-CE1 4.45Å; I390-F497 HydrophobicContact CB-CE2 4.45Å; I390-F497 HydrophobicContact CB-CZ 3.9Å; I390-F497 HydrophobicContact CD1-CD1 4.44Å; I390-F497 HydrophobicContact CD1-CE1 3.3Å; I390-F497 HydrophobicContact CD1-CZ 3.51Å; I390-F497 HydrophobicContact CG1-CE1 3.59Å; I390-F497 HydrophobicContact CG1-CE2 4.32Å; I390-F497 HydrophobicContact CG1-CZ 3.54Å; I390-F497 HydrophobicContact CG2-CE1 4.05Å; I390-F497 HydrophobicContact CG2-CE2 3.47Å; I390-F497 VanDerWaalsContact CG2-CE2 3.47Å; I390-F497 HydrophobicContact CG2-CZ 3.09Å
391	L	92.1	Very high	90.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.5	-32.3	-174.3	-72.5	165.2	0	0	0	111.2	L387 K388 Q393 K394 A395 M399 T450 L453	L387-L391 HydrophobicContact CD1-CD1 4.12Å; L387-L391 HydrophobicContact CD1-CG 4.14Å; L387-L391 HydrophobicContact CG-CD1 3.88Å; L387-L391 HydrophobicContact CG-CG 4.37Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 WeakPolarHBondContact O-CG 3.44Å; L387-L391 PolarHBondContact O-N 2.85Å; K388-L391 PolarHBondContact O-N 2.87Å; K388-L391 VanDerWaalsContact O-N 3.11Å; L391-Q393 PolarHBondContact O-N 2.95Å; L391-K394 PolarHBondContact O-N 3.26Å; L391-A395 HydrophobicContact CD2-CB 4.35Å; L391-A395 CarbonylContact O-C 3.59Å; L391-A395 WeakPolarHBondContact O-CA 3.4Å; L391-A395 PolarHBondContact O-N 2.98Å; L391-M399 HydrophobicContact CB-CG 3.3Å; L391-M399 HydrophobicContact CB-SD 3.41Å; L391-M399 WeakPolarHBondContact CB-SD 3.2Å; L391-M399 HydrophobicContact CD1-SD 3.69Å; L391-M399 HydrophobicContact CG-SD 4.2Å; L391-T450 HydrophobicContact CD2-CG2 4.11Å; L391-L453 HydrophobicContact CD1-CD1 3.49Å; L391-L453 VanDerWaalsContact CD1-CD1 3.49Å; L391-L453 HydrophobicContact CD2-CB 3.91Å; L391-L453 HydrophobicContact CD2-CD1 3.86Å; L391-L453 HydrophobicContact CG-CD1 4.25Å
392	V	91.8	Very high	90.7	Very high	77 Å²	77	35.6 Å²	35.6	47%	0.467	18%	0.178	S	C	.	.	H	α-helix	trans	-53.8	-28.8	172.7	167	0	0	0	0	111.1	K388 I390 P396 M399	K388-V392 WeakPolarHBondContact O-CG2 3.27Å; K388-V392 PolarHBondContact O-N 2.93Å; I390-V392 VanDerWaalsContact C-N 3.27Å; I390-V392 PolarHBondContact O-N 3.46Å; V392-P396 WeakPolarHBondContact O-CB 3.4Å; V392-M399 HydrophobicContact CG2-CB 4.24Å; V392-M399 HydrophobicContact CG2-CG 4.15Å
393	Q	87.8	Confident	91.3	Very high	70 Å²	70	41.2 Å²	41.2	33%	0.327	21%	0.207	S	C	.	.	H	α-helix	trans	-101	-36.4	-178	-65.8	168.1	70.4	0	0	114.2	D389 I390 L391	D389-Q393 PolarHBondContact O-NE2 2.91Å; I390-Q393 PolarHBondContact O-N 2.92Å; L391-Q393 PolarHBondContact O-N 2.95Å
394	K	88.7	Confident	91.7	Very high	53 Å²	53	47.3 Å²	47.3	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-91.5	-24.4	-176.6	-63.8	-44.8	-176	-165	0	113.9	I390 L391 T450 F497	I390-K394 PolarHBondContact O-N 3.45Å; L391-K394 PolarHBondContact O-N 3.26Å; K394-T450 HydrophobicContact CB-CG2 4.11Å; K394-T450 HydrophobicContact CG-CG2 4.43Å; K394-F497 HydrophobicContact CD-CD2 4.41Å; K394-F497 HydrophobicContact CG-CD2 4.03Å; K394-F497 HydrophobicContact CG-CE2 3.68Å
395	A	92.4	Very high	91.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	25%	0.247	C	C	.	.			trans	-141.7	60.1	178	0	0	0	0	0	109.8	L391 K397 L398 M399 V454	L391-A395 HydrophobicContact CD2-CB 4.35Å; L391-A395 CarbonylContact O-C 3.59Å; L391-A395 WeakPolarHBondContact O-CA 3.4Å; L391-A395 PolarHBondContact O-N 2.98Å; A395-K397 VanDerWaalsContact C-N 3.27Å; A395-K397 PolarHBondContact O-N 2.85Å; A395-L398 HydrophobicContact CB-CB 3.78Å; A395-L398 HydrophobicContact CB-CD2 4.19Å; A395-L398 WeakPolarHBondContact O-CA 3.32Å; A395-L398 WeakPolarHBondContact O-CB 3.4Å; A395-L398 PolarHBondContact O-N 3.28Å; A395-M399 PolarHBondContact O-N 3.34Å; A395-V454 HydrophobicContact CB-CG2 4.2Å
396	P	95	Very high	92.2	Very high	74 Å²	74	52.9 Å²	52.9	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-55.7	-41.2	-175.4	20.1	-32.3	0	0	0	112.4	V392 L398 M399 E400	V392-P396 WeakPolarHBondContact O-CB 3.4Å; P396-L398 VanDerWaalsContact C-N 3.33Å; P396-L398 PolarHBondContact O-N 3.3Å; P396-M399 PolarHBondContact O-N 3.15Å; P396-E400 WeakPolarHBondContact O-CB 3.5Å; P396-E400 PolarHBondContact O-N 2.86Å
397	K	95.6	Very high	92.6	Very high	151 Å²	151	52.5 Å²	52.5	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-40.2	176.2	-64.9	-174.2	178.2	-175	0	112.7	A395 H401 I461	A395-K397 VanDerWaalsContact C-N 3.27Å; A395-K397 PolarHBondContact O-N 2.85Å; K397-H401 WeakPolarHBondContact O-CB 3.41Å; K397-H401 PolarHBondContact O-N 2.72Å; K397-H401 VanDerWaalsContact O-N 3.08Å; K397-I461 HydrophobicContact CB-CD1 4.26Å
398	L	95.7	Very high	92.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-50.3	175.6	177.1	61.8	0	0	0	109.8	A395 P396 E400 H401 L402 L453 Q457 V460 I461	A395-L398 HydrophobicContact CB-CB 3.78Å; A395-L398 HydrophobicContact CB-CD2 4.19Å; A395-L398 WeakPolarHBondContact O-CA 3.32Å; A395-L398 WeakPolarHBondContact O-CB 3.4Å; A395-L398 PolarHBondContact O-N 3.28Å; P396-L398 VanDerWaalsContact C-N 3.33Å; P396-L398 PolarHBondContact O-N 3.3Å; L398-E400 PolarHBondContact O-N 2.82Å; L398-H401 WeakPolarHBondContact O-CB 3.22Å; L398-H401 PolarHBondContact O-N 2.73Å; L398-L402 HydrophobicContact CD1-CD1 4.36Å; L398-L402 HydrophobicContact CD1-CD2 4.29Å; L398-L402 HydrophobicContact CD1-CG 4.14Å; L398-L402 HydrophobicContact CG-CD1 4.26Å; L398-L402 HydrophobicContact CG-CG 4.36Å; L398-L402 VanDerWaalsContact O-CG 3.3Å; L398-L402 WeakPolarHBondContact O-CG 3.24Å; L398-L402 PolarHBondContact O-N 2.82Å; L398-L453 HydrophobicContact CD2-CB 4.03Å; L398-Q457 HydrophobicContact CB-CB 4.26Å; L398-Q457 HydrophobicContact CD2-CB 4.18Å; L398-V460 HydrophobicContact CD1-CB 3.95Å; L398-V460 HydrophobicContact CD1-CG1 3.7Å; L398-I461 HydrophobicContact CD1-CG1 4.28Å
399	M	95.4	Very high	92.8	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.059	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-39.8	-179.4	-75.3	-52.3	-63.7	0	0	113.4	K388 L391 V392 A395 P396 H401 L402 L403	K388-M399 HydrophobicContact CB-CE 4.19Å; K388-M399 HydrophobicContact CG-CE 4.3Å; L391-M399 HydrophobicContact CB-CG 3.3Å; L391-M399 HydrophobicContact CB-SD 3.41Å; L391-M399 WeakPolarHBondContact CB-SD 3.2Å; L391-M399 HydrophobicContact CD1-SD 3.69Å; L391-M399 HydrophobicContact CG-SD 4.2Å; V392-M399 HydrophobicContact CG2-CB 4.24Å; V392-M399 HydrophobicContact CG2-CG 4.15Å; A395-M399 PolarHBondContact O-N 3.34Å; P396-M399 PolarHBondContact O-N 3.15Å; M399-H401 VanDerWaalsContact C-N 3.34Å; M399-H401 PolarHBondContact O-N 2.83Å; M399-L402 PolarHBondContact O-N 3.22Å; M399-L402 HydrophobicContact SD-CD1 4.12Å; M399-L403 WeakPolarHBondContact O-CB 3.31Å; M399-L403 VanDerWaalsContact O-CG 3.25Å; M399-L403 WeakPolarHBondContact O-CG 3.48Å; M399-L403 PolarHBondContact O-N 2.88Å
400	E	95.4	Very high	93	Very high	118 Å²	118	53.2 Å²	53.2	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-57.4	-48	173.2	-178.2	177.8	-169.3	0	0	110.9	P396 L398 L402 L403 N404	P396-E400 WeakPolarHBondContact O-CB 3.5Å; P396-E400 PolarHBondContact O-N 2.86Å; L398-E400 PolarHBondContact O-N 2.82Å; E400-L402 PolarHBondContact O-N 3.37Å; E400-L403 PolarHBondContact O-N 2.92Å; E400-N404 WeakPolarHBondContact O-CB 3.31Å; E400-N404 PolarHBondContact O-N 3.1Å; E400-N404 PolarHBondContact O-ND2 2.79Å
401	H	94.8	Very high	93.2	Very high	39 Å²	39	57 Å²	57	18%	0.181	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-43.9	175.8	-176.2	73.8	0	0	0	113.2	K397 L398 M399 L403 N404 S405 V460 I461 L463 K469	K397-H401 WeakPolarHBondContact O-CB 3.41Å; K397-H401 PolarHBondContact O-N 2.72Å; K397-H401 VanDerWaalsContact O-N 3.08Å; L398-H401 WeakPolarHBondContact O-CB 3.22Å; L398-H401 PolarHBondContact O-N 2.73Å; M399-H401 VanDerWaalsContact C-N 3.34Å; M399-H401 PolarHBondContact O-N 2.83Å; H401-L403 PolarHBondContact O-N 3.42Å; H401-N404 PolarHBondContact O-N 3.28Å; H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 3.21Å; H401-S405 PolarHBondContact O-OG 3.28Å; H401-V460 PolarHBondContact NE2-O 2.95Å; H401-I461 HydrophobicContact CB-CG1 4.05Å; H401-I461 PolarHBondContact CE1-O 2.94Å; H401-I461 PolarHBondContact NE2-O 3.4Å; H401-I461 VanDerWaalsContact NE2-O 3.14Å; H401-L463 PolarHBondContact NE2-O 2.93Å; H401-K469 VanDerWaalsContact NE2-CE 3.32Å; H401-K469 WeakPolarHBondContact NE2-CE 3.37Å
402	L	94.8	Very high	93.2	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-42.1	178.8	-65.5	-172.3	0	0	0	111.3	L398 M399 E400 S405 D406 F407 I409 V460 K469	L398-L402 HydrophobicContact CD1-CD1 4.36Å; L398-L402 HydrophobicContact CD1-CD2 4.29Å; L398-L402 HydrophobicContact CD1-CG 4.14Å; L398-L402 HydrophobicContact CG-CD1 4.26Å; L398-L402 HydrophobicContact CG-CG 4.36Å; L398-L402 VanDerWaalsContact O-CG 3.3Å; L398-L402 WeakPolarHBondContact O-CG 3.24Å; L398-L402 PolarHBondContact O-N 2.82Å; M399-L402 PolarHBondContact O-N 3.22Å; M399-L402 HydrophobicContact SD-CD1 4.12Å; E400-L402 PolarHBondContact O-N 3.37Å; L402-S405 PolarHBondContact O-N 2.81Å; L402-S405 PolarHBondContact O-OG 3.12Å; L402-D406 PolarHBondContact O-N 2.99Å; L402-F407 HydrophobicContact CB-CB 4.45Å; L402-F407 HydrophobicContact CD1-CD1 4.3Å; L402-F407 HydrophobicContact CD2-CB 4.13Å; L402-F407 HydrophobicContact CD2-CD1 3.62Å; L402-F407 HydrophobicContact CD2-CE1 4.34Å; L402-F407 HydrophobicContact CD2-CG 4.07Å; L402-F407 HydrophobicContact CG-CD1 4.36Å; L402-F407 PolarHBondContact O-N 3.49Å; L402-I409 HydrophobicContact CD1-CB 4.19Å; L402-I409 HydrophobicContact CD1-CD1 4.21Å; L402-V460 HydrophobicContact CD2-CG1 3.93Å; L402-K469 HydrophobicContact CD2-CD 4.31Å
403	L	93.4	Very high	93.3	Very high	121 Å²	121	53.9 Å²	53.9	63%	0.634	28%	0.277	S	S	*	.	H	α-helix	trans	-65.9	-43.9	176	-69.4	171.7	0	0	0	111.8	M399 E400 H401 S405 D406	M399-L403 WeakPolarHBondContact O-CB 3.31Å; M399-L403 VanDerWaalsContact O-CG 3.25Å; M399-L403 WeakPolarHBondContact O-CG 3.48Å; M399-L403 PolarHBondContact O-N 2.88Å; E400-L403 PolarHBondContact O-N 2.92Å; H401-L403 PolarHBondContact O-N 3.42Å; L403-S405 VanDerWaalsContact C-N 3.26Å; L403-S405 PolarHBondContact O-N 3.37Å; L403-D406 PolarHBondContact O-N 2.84Å
404	N	93.6	Very high	93.6	Very high	128 Å²	128	52.9 Å²	52.9	68%	0.684	27%	0.271	S	S	*	.	H	α-helix	trans	-67.2	-26.5	179.6	-70.7	-16.5	0	0	0	112.9	E400 H401	E400-N404 WeakPolarHBondContact O-CB 3.31Å; E400-N404 PolarHBondContact O-N 3.1Å; E400-N404 PolarHBondContact O-ND2 2.79Å; H401-N404 PolarHBondContact O-N 3.28Å
405	S	92	Very high	93.7	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.203	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.2	176.7	60.7	0	0	0	0	114.2	H401 L402 L403 F407 Q466 K469	H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 3.21Å; H401-S405 PolarHBondContact O-OG 3.28Å; L402-S405 PolarHBondContact O-N 2.81Å; L402-S405 PolarHBondContact O-OG 3.12Å; L403-S405 VanDerWaalsContact C-N 3.26Å; L403-S405 PolarHBondContact O-N 3.37Å; S405-F407 PolarHBondContact O-N 3.37Å; S405-F407 VanDerWaalsContact O-N 3.13Å; S405-Q466 PolarHBondContact O-NE2 2.78Å; S405-K469 PolarHBondContact OG-NZ 3.31Å
406	D	92.1	Very high	93.8	Very high	136 Å²	136	54.9 Å²	54.9	73%	0.727	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.4	-176.9	-163.7	31	0	0	0	113	L402 L403 Q466	L402-D406 PolarHBondContact O-N 2.99Å; L403-D406 PolarHBondContact O-N 2.84Å; D406-Q466 PolarHBondContact O-NE2 2.81Å
407	F	94.5	Very high	93.7	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.044	26%	0.261	C	S	.	.			trans	-94.4	110.9	-178.6	-173.9	-86.7	0	0	0	110.9	L402 S405 I409 V412 Q466 K469 I470 L473	L402-F407 HydrophobicContact CB-CB 4.45Å; L402-F407 HydrophobicContact CD1-CD1 4.3Å; L402-F407 HydrophobicContact CD2-CB 4.13Å; L402-F407 HydrophobicContact CD2-CD1 3.62Å; L402-F407 HydrophobicContact CD2-CE1 4.34Å; L402-F407 HydrophobicContact CD2-CG 4.07Å; L402-F407 HydrophobicContact CG-CD1 4.36Å; L402-F407 PolarHBondContact O-N 3.49Å; S405-F407 PolarHBondContact O-N 3.37Å; S405-F407 VanDerWaalsContact O-N 3.13Å; F407-I409 HydrophobicContact CE1-CD1 4.11Å; F407-I409 PolarHBondContact O-N 3.46Å; F407-V412 HydrophobicContact CZ-CG1 4.44Å; F407-Q466 HydrophobicContact CD2-CB 4.12Å; F407-Q466 HydrophobicContact CD2-CG 4.2Å; F407-K469 HydrophobicContact CB-CD 4.3Å; F407-K469 HydrophobicContact CD2-CB 3.92Å; F407-K469 HydrophobicContact CD2-CD 3.74Å; F407-K469 HydrophobicContact CD2-CG 4.47Å; F407-K469 HydrophobicContact CE2-CB 3.45Å; F407-K469 VanDerWaalsContact CE2-CB 3.45Å; F407-K469 HydrophobicContact CE2-CD 4.16Å; F407-K469 HydrophobicContact CE2-CG 4.45Å; F407-K469 HydrophobicContact CG-CD 3.98Å; F407-K469 HydrophobicContact CZ-CB 3.93Å; F407-I470 HydrophobicContact CE2-CG1 3.73Å; F407-I470 HydrophobicContact CZ-CG1 4.02Å; F407-L473 HydrophobicContact CE1-CD1 4.23Å; F407-L473 HydrophobicContact CZ-CD1 4.18Å
408	D	93.5	Very high	93.5	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.353	23%	0.231	S	C	.	.			trans	-83.4	111.5	172	-167.9	-6	0	0	0	111.6	K388 S410 I411	K388-D408 WeakPolarHBondContact CE-OD1 3.34Å; K388-D408 IonicContact NZ-OD1 3.56Å; K388-D408 PolarHBondContact NZ-OD1 3.25Å; K388-D408 IonicContact NZ-OD2 3.82Å; K388-D408 PolarHBondContact NZ-OD2 3.46Å; D408-S410 PolarHBondContact O-N 3.46Å; D408-S410 VanDerWaalsContact OD1-CB 3.27Å; D408-S410 WeakPolarHBondContact OD1-CB 3.34Å; D408-S410 PolarHBondContact OD1-N 2.95Å; D408-S410 PolarHBondContact OD1-OG 3.43Å; D408-I411 HydrophobicContact CB-CD1 4.25Å; D408-I411 HydrophobicContact CB-CG1 4.35Å; D408-I411 WeakPolarHBondContact O-CB 3.29Å; D408-I411 VanDerWaalsContact O-CG1 3.31Å; D408-I411 WeakPolarHBondContact O-CG1 3.24Å; D408-I411 PolarHBondContact O-N 2.84Å
409	I	93.7	Very high	93.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.3	174.5	-163.9	62.1	0	0	0	113.1	K388 L402 F407 I411 V412 S413 L453 L473	K388-I409 HydrophobicContact CD-CG2 4.36Å; K388-I409 HydrophobicContact CG-CG2 3.63Å; L402-I409 HydrophobicContact CD1-CB 4.19Å; L402-I409 HydrophobicContact CD1-CD1 4.21Å; F407-I409 HydrophobicContact CE1-CD1 4.11Å; F407-I409 PolarHBondContact O-N 3.46Å; I409-I411 PolarHBondContact O-N 3.14Å; I409-V412 HydrophobicContact CD1-CG2 3.63Å; I409-V412 HydrophobicContact CG1-CG2 4.35Å; I409-V412 WeakPolarHBondContact O-CG2 3.37Å; I409-V412 PolarHBondContact O-N 3.42Å; I409-S413 WeakPolarHBondContact O-CB 3.37Å; I409-S413 PolarHBondContact O-N 3Å; I409-S413 VanDerWaalsContact O-N 3.12Å; I409-S413 PolarHBondContact O-OG 3.26Å; I409-L453 HydrophobicContact CD1-CD1 4.03Å; I409-L453 HydrophobicContact CD1-CD2 3.74Å; I409-L453 HydrophobicContact CG1-CD1 3.93Å; I409-L473 HydrophobicContact CD1-CD1 4.02Å
410	S	92.3	Very high	93.4	Very high	16 Å²	16	44.2 Å²	44.2	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-22.3	175.6	-66.9	0	0	0	0	113.2	Q384 K388 D408 V412 S413	Q384-S410 WeakPolarHBondContact CB-OG 3.48Å; Q384-S410 PolarHBondContact NE2-O 2.96Å; K388-S410 WeakPolarHBondContact CE-OG 3.47Å; K388-S410 PolarHBondContact NZ-OG 3.33Å; K388-S410 VanDerWaalsContact NZ-OG 3.13Å; D408-S410 PolarHBondContact O-N 3.46Å; D408-S410 VanDerWaalsContact OD1-CB 3.27Å; D408-S410 WeakPolarHBondContact OD1-CB 3.34Å; D408-S410 PolarHBondContact OD1-N 2.95Å; D408-S410 PolarHBondContact OD1-OG 3.43Å; S410-V412 VanDerWaalsContact C-N 3.27Å; S410-V412 PolarHBondContact O-N 3.31Å; S410-S413 WeakPolarHBondContact CA-OG 3.29Å
411	I	92.5	Very high	93.3	Very high	90 Å²	90	38.7 Å²	38.7	46%	0.462	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-32.2	178.4	-63.8	167.8	0	0	0	111.9	D408 I409 I470	D408-I411 HydrophobicContact CB-CD1 4.25Å; D408-I411 HydrophobicContact CB-CG1 4.35Å; D408-I411 WeakPolarHBondContact O-CB 3.29Å; D408-I411 VanDerWaalsContact O-CG1 3.31Å; D408-I411 WeakPolarHBondContact O-CG1 3.24Å; D408-I411 PolarHBondContact O-N 2.84Å; I409-I411 PolarHBondContact O-N 3.14Å; I411-I470 HydrophobicContact CG2-CD1 3.86Å; I411-I470 HydrophobicContact CG2-CG1 4.24Å
412	V	92.6	Very high	93.3	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	20%	0.201	C	C	.	.	H	α-helix	trans	-106.8	-28.3	-176.8	-61.2	0	0	0	0	113.4	F407 I409 S410 W416 I470 L473	F407-V412 HydrophobicContact CZ-CG1 4.44Å; I409-V412 HydrophobicContact CD1-CG2 3.63Å; I409-V412 HydrophobicContact CG1-CG2 4.35Å; I409-V412 WeakPolarHBondContact O-CG2 3.37Å; I409-V412 PolarHBondContact O-N 3.42Å; S410-V412 VanDerWaalsContact C-N 3.27Å; S410-V412 PolarHBondContact O-N 3.31Å; V412-W416 HydrophobicContact CG2-CH2 4.44Å; V412-W416 HydrophobicContact CG2-CZ2 4.32Å; V412-W416 PolarHBondContact O-NE1 3.27Å; V412-I470 HydrophobicContact CG1-CB 4.43Å; V412-I470 HydrophobicContact CG1-CG1 4.22Å; V412-I470 HydrophobicContact CG1-CG2 4.22Å; V412-L473 HydrophobicContact CG2-CD1 3.94Å
413	S	94.1	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-86.2	-13.3	-171.2	59.5	0	0	0	0	114.5	Q384 I409 S410 N415 W416 F417	Q384-S413 PolarHBondContact NE2-OG 3.31Å; I409-S413 WeakPolarHBondContact O-CB 3.37Å; I409-S413 PolarHBondContact O-N 3Å; I409-S413 VanDerWaalsContact O-N 3.12Å; I409-S413 PolarHBondContact O-OG 3.26Å; S410-S413 WeakPolarHBondContact CA-OG 3.29Å; S413-N415 VanDerWaalsContact C-N 3.34Å; S413-N415 PolarHBondContact O-N 3.49Å; S413-W416 VanDerWaalsContact O-CB 3.23Å; S413-W416 WeakPolarHBondContact O-CB 3.34Å; S413-W416 PolarHBondContact O-N 3.47Å; S413-F417 VanDerWaalsContact O-CD2 3.25Å; S413-F417 WeakPolarHBondContact O-CD2 3.45Å
414	F	92.9	Very high	92.6	Very high	49 Å²	49	37.4 Å²	37.4	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-46.3	-173	-175.5	-104.1	0	0	0	112.3	L377 A380 R381 W416 F417 I418	L377-F414 HydrophobicContact CB-CE2 4.42Å; L377-F414 HydrophobicContact CB-CZ 4.06Å; L377-F414 HydrophobicContact CD1-CE1 4.15Å; L377-F414 HydrophobicContact CD1-CZ 3.57Å; L377-F414 HydrophobicContact CG-CZ 4.38Å; A380-F414 HydrophobicContact CB-CE2 3.96Å; A380-F414 HydrophobicContact CB-CZ 4.36Å; R381-F414 HydrophobicContact CG-CE2 4.28Å; F414-W416 PolarHBondContact O-N 2.87Å; F414-F417 PolarHBondContact O-N 2.89Å; F414-I418 HydrophobicContact CD1-CG2 4.15Å; F414-I418 HydrophobicContact CE1-CB 4.12Å; F414-I418 HydrophobicContact CE1-CG1 4.39Å; F414-I418 HydrophobicContact CE1-CG2 3.94Å; F414-I418 HydrophobicContact CZ-CB 4.24Å; F414-I418 HydrophobicContact CZ-CG1 4.39Å; F414-I418 WeakPolarHBondContact O-CG2 3.17Å; F414-I418 PolarHBondContact O-N 3.47Å; F414-I418 VanDerWaalsContact O-N 3.08Å
415	N	91.4	Very high	92.5	Very high	90 Å²	90	32.1 Å²	32.1	48%	0.481	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-25.9	179.2	-77	-5.1	0	0	0	112.9	S413 F417 S419	S413-N415 VanDerWaalsContact C-N 3.34Å; S413-N415 PolarHBondContact O-N 3.49Å; N415-F417 VanDerWaalsContact C-N 3.3Å; N415-F417 PolarHBondContact O-N 2.67Å; N415-S419 PolarHBondContact O-N 2.93Å; N415-S419 PolarHBondContact O-OG 3.49Å; N415-S419 VanDerWaalsContact O-OG 3.13Å
416	W	94.8	Very high	92.3	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-38.1	178.9	-53.5	-7.1	0	0	0	110.9	L387 V412 S413 F414 L420 F421 A449 L452 L453 V477	L387-W416 HydrophobicContact CD2-CZ3 4.5Å; V412-W416 HydrophobicContact CG2-CH2 4.44Å; V412-W416 HydrophobicContact CG2-CZ2 4.32Å; V412-W416 PolarHBondContact O-NE1 3.27Å; S413-W416 VanDerWaalsContact O-CB 3.23Å; S413-W416 WeakPolarHBondContact O-CB 3.34Å; S413-W416 PolarHBondContact O-N 3.47Å; F414-W416 PolarHBondContact O-N 2.87Å; W416-L420 CarbonylContact O-C 3.36Å; W416-L420 WeakPolarHBondContact O-CA 3.25Å; W416-L420 PolarHBondContact O-N 3.42Å; W416-F421 HydrophobicContact CB-CD1 3.88Å; W416-F421 HydrophobicContact CB-CE1 3.53Å; W416-F421 HydrophobicContact CB-CE2 4.31Å; W416-F421 HydrophobicContact CB-CG 4.4Å; W416-F421 HydrophobicContact CB-CZ 3.77Å; W416-F421 AromaticContact CD2-CE1 3.9Å; W416-F421 HydrophobicContact CD2-CE1 3.9Å; W416-F421 HydrophobicContact CE3-CE1 4.2Å; W416-F421 HydrophobicContact CE3-CZ 4.48Å; W416-F421 HydrophobicContact CG-CD1 4Å; W416-F421 AromaticContact CG-CE1 3.61Å; W416-F421 HydrophobicContact CG-CE1 3.61Å; W416-F421 HydrophobicContact CG-CZ 4.26Å; W416-F421 PolarHBondContact O-N 2.78Å; W416-A449 HydrophobicContact CE3-CB 3.86Å; W416-A449 HydrophobicContact CZ3-CB 4.26Å; W416-L452 HydrophobicContact CH2-CD2 3.69Å; W416-L452 HydrophobicContact CZ2-CD2 4.08Å; W416-L452 HydrophobicContact CZ3-CD2 4.35Å; W416-L453 HydrophobicContact CH2-CD1 4.47Å; W416-L453 HydrophobicContact CH2-CD2 4.01Å; W416-L453 HydrophobicContact CH2-CG 4.16Å; W416-L453 HydrophobicContact CZ3-CD1 4.12Å; W416-L453 HydrophobicContact CZ3-CD2 4.45Å; W416-L453 HydrophobicContact CZ3-CG 4.13Å; W416-V477 HydrophobicContact CH2-CG2 4.42Å; W416-V477 HydrophobicContact CZ2-CG2 3.56Å
417	F	92.3	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-85.4	-44.2	-177.4	-68.2	-71.1	0	0	0	113.3	Y372 Q384 L387 S413 F414 N415 S419 I445 Y446 A449	Y372-F417 WeakPolarHBondContact OH-CB 3.16Å; Y372-F417 PolarHBondContact OH-O 3.2Å; Q384-F417 HydrophobicContact CG-CD2 4Å; Q384-F417 HydrophobicContact CG-CE2 4.34Å; L387-F417 HydrophobicContact CB-CE2 4.15Å; L387-F417 HydrophobicContact CB-CZ 3.84Å; L387-F417 HydrophobicContact CD2-CE2 3.74Å; L387-F417 HydrophobicContact CD2-CZ 3.89Å; L387-F417 HydrophobicContact CG-CZ 4.3Å; S413-F417 VanDerWaalsContact O-CD2 3.25Å; S413-F417 WeakPolarHBondContact O-CD2 3.45Å; F414-F417 PolarHBondContact O-N 2.89Å; N415-F417 VanDerWaalsContact C-N 3.3Å; N415-F417 PolarHBondContact O-N 2.67Å; F417-S419 VanDerWaalsContact C-N 3.34Å; F417-S419 PolarHBondContact O-N 2.8Å; F417-I445 HydrophobicContact CD1-CD1 3.93Å; F417-I445 HydrophobicContact CD1-CG1 3.81Å; F417-I445 HydrophobicContact CE1-CD1 4.43Å; F417-I445 HydrophobicContact CE1-CG1 3.87Å; F417-Y446 HydrophobicContact CD1-CE1 4.38Å; F417-Y446 AromaticContact CE1-CD1 3.62Å; F417-Y446 HydrophobicContact CE1-CD1 3.62Å; F417-Y446 AromaticContact CE1-CE1 3.71Å; F417-Y446 HydrophobicContact CE1-CE1 3.71Å; F417-Y446 HydrophobicContact CE1-CG 4.26Å; F417-Y446 HydrophobicContact CZ-CD1 4.12Å; F417-Y446 HydrophobicContact CZ-CE1 4.36Å; F417-A449 HydrophobicContact CZ-CB 3.99Å
418	I	92	Very high	91.9	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-72.3	-28.4	-175	-166.3	62	0	0	0	112.9	Y373 L377 A380 F414	Y373-I418 HydrophobicContact CD1-CD1 3.64Å; Y373-I418 HydrophobicContact CE1-CD1 3.64Å; Y373-I418 HydrophobicContact CE1-CG1 4.4Å; Y373-I418 WeakPolarHBondContact CE1-O 3.06Å; L377-I418 HydrophobicContact CD2-CD1 3.93Å; A380-I418 HydrophobicContact CB-CD1 3.85Å; F414-I418 HydrophobicContact CD1-CG2 4.15Å; F414-I418 HydrophobicContact CE1-CB 4.12Å; F414-I418 HydrophobicContact CE1-CG1 4.39Å; F414-I418 HydrophobicContact CE1-CG2 3.94Å; F414-I418 HydrophobicContact CZ-CB 4.24Å; F414-I418 HydrophobicContact CZ-CG1 4.39Å; F414-I418 WeakPolarHBondContact O-CG2 3.17Å; F414-I418 PolarHBondContact O-N 3.47Å; F414-I418 VanDerWaalsContact O-N 3.08Å
419	S	93	Very high	91.8	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	12.5	-179	90.4	0	0	0	0	113.2	N415 F417 F421 S422	N415-S419 PolarHBondContact O-N 2.93Å; N415-S419 PolarHBondContact O-OG 3.49Å; N415-S419 VanDerWaalsContact O-OG 3.13Å; F417-S419 VanDerWaalsContact C-N 3.34Å; F417-S419 PolarHBondContact O-N 2.8Å; S419-F421 VanDerWaalsContact C-N 3.26Å; S419-F421 PolarHBondContact O-N 3.08Å; S419-S422 VanDerWaalsContact CB-OG 3.28Å; S419-S422 WeakPolarHBondContact CB-OG 3.47Å; S419-S422 WeakPolarHBondContact O-CB 3.45Å; S419-S422 PolarHBondContact O-N 2.86Å; S419-S422 PolarHBondContact O-OG 3.32Å; S419-S422 PolarHBondContact OG-N 3.44Å; S419-S422 PolarHBondContact OG-OG 3.13Å; S419-S422 VanDerWaalsContact OG-OG 3.06Å
420	L	95.4	Very high	91.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.6	-179	-50.4	176.7	0	0	0	112.6	I343 L363 F368 W416 S422 W434 F437 I445	I343-L420 HydrophobicContact CD1-CD1 4.04Å; I343-L420 HydrophobicContact CD1-CG 4.03Å; L363-L420 HydrophobicContact CD1-CD1 4.03Å; L363-L420 HydrophobicContact CD2-CD1 3.6Å; L363-L420 HydrophobicContact CG-CD1 4.49Å; F368-L420 HydrophobicContact CE2-CD2 3.87Å; F368-L420 HydrophobicContact CZ-CD2 3.87Å; W416-L420 CarbonylContact O-C 3.36Å; W416-L420 WeakPolarHBondContact O-CA 3.25Å; W416-L420 PolarHBondContact O-N 3.42Å; L420-S422 PolarHBondContact O-N 2.76Å; L420-S422 VanDerWaalsContact O-N 3.16Å; L420-W434 HydrophobicContact CB-CZ2 4.37Å; L420-W434 PolarHBondContact O-NE1 2.95Å; L420-F437 HydrophobicContact CD1-CD1 4.49Å; L420-F437 HydrophobicContact CD1-CE1 4.01Å; L420-F437 HydrophobicContact CD1-CZ 4.08Å; L420-F437 HydrophobicContact CD2-CE2 4.24Å; L420-F437 HydrophobicContact CD2-CZ 4.37Å; L420-I445 HydrophobicContact CD2-CD1 4.42Å; L420-I445 HydrophobicContact CD2-CG2 3.97Å
421	F	94.9	Very high	91.9	Very high	2 Å²	2	24 Å²	24	1%	0.009	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	5.6	-174.7	-62.2	-91.4	0	0	0	117.1	W416 S419 D423 C424 I425 I433 I445 F448 A449	W416-F421 HydrophobicContact CB-CD1 3.88Å; W416-F421 HydrophobicContact CB-CE1 3.53Å; W416-F421 HydrophobicContact CB-CE2 4.31Å; W416-F421 HydrophobicContact CB-CG 4.4Å; W416-F421 HydrophobicContact CB-CZ 3.77Å; W416-F421 AromaticContact CD2-CE1 3.9Å; W416-F421 HydrophobicContact CD2-CE1 3.9Å; W416-F421 HydrophobicContact CE3-CE1 4.2Å; W416-F421 HydrophobicContact CE3-CZ 4.48Å; W416-F421 HydrophobicContact CG-CD1 4Å; W416-F421 AromaticContact CG-CE1 3.61Å; W416-F421 HydrophobicContact CG-CE1 3.61Å; W416-F421 HydrophobicContact CG-CZ 4.26Å; W416-F421 PolarHBondContact O-N 2.78Å; S419-F421 VanDerWaalsContact C-N 3.26Å; S419-F421 PolarHBondContact O-N 3.08Å; F421-D423 PolarHBondContact O-N 3.12Å; F421-C424 VanDerWaalsContact CA-SG 3.53Å; F421-C424 PolarHBondContact O-N 3.12Å; F421-C424 PolarHBondContact O-SG 2.93Å; F421-I425 HydrophobicContact CB-CD1 3.53Å; F421-I425 HydrophobicContact CB-CG1 3.89Å; F421-I425 HydrophobicContact CD1-CD1 4.23Å; F421-I425 HydrophobicContact CD1-CG2 4.03Å; F421-I425 HydrophobicContact CG-CD1 4.07Å; F421-I433 HydrophobicContact CD2-CD1 4.23Å; F421-I433 HydrophobicContact CD2-CG2 4.36Å; F421-I433 HydrophobicContact CG-CD1 4.32Å; F421-I445 HydrophobicContact CE2-CB 4.2Å; F421-F448 HydrophobicContact CE2-CB 4.36Å; F421-F448 HydrophobicContact CZ-CB 4.39Å; F421-A449 HydrophobicContact CZ-CB 3.99Å
422	S	92.9	Very high	92	Very high	16 Å²	16	21.4 Å²	21.4	11%	0.112	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.3	-169.8	67.4	0	0	0	0	116.5	F342 S419 L420 M430	F342-S422 WeakPolarHBondContact CB-OG 3.38Å; S419-S422 VanDerWaalsContact CB-OG 3.28Å; S419-S422 WeakPolarHBondContact CB-OG 3.47Å; S419-S422 WeakPolarHBondContact O-CB 3.45Å; S419-S422 PolarHBondContact O-N 2.86Å; S419-S422 PolarHBondContact O-OG 3.32Å; S419-S422 PolarHBondContact OG-N 3.44Å; S419-S422 PolarHBondContact OG-OG 3.13Å; S419-S422 VanDerWaalsContact OG-OG 3.06Å; L420-S422 PolarHBondContact O-N 2.76Å; L420-S422 VanDerWaalsContact O-N 3.16Å; S422-M430 VanDerWaalsContact CA-SD 3.53Å
423	D	86.3	Confident	92.1	Very high	95 Å²	95	21 Å²	21	51%	0.508	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	22	-174.4	-163.6	34.5	0	0	0	112.3	F342 F421	F342-D423 HydrophobicContact CD1-CB 4.25Å; F342-D423 HydrophobicContact CD2-CB 4.2Å; F342-D423 HydrophobicContact CE1-CB 4.41Å; F342-D423 HydrophobicContact CE2-CB 4.36Å; F342-D423 HydrophobicContact CG-CB 4.14Å; F342-D423 HydrophobicContact CZ-CB 4.47Å; F342-D423 VanDerWaalsContact CZ-OD2 3.25Å; F342-D423 WeakPolarHBondContact CZ-OD2 3.45Å; F421-D423 PolarHBondContact O-N 3.12Å
424	C	88.7	Confident	92.3	Very high	26 Å²	26	21.1 Å²	21.1	18%	0.176	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-29.5	-179.7	63.8	0	0	0	0	116	F421 V477 K478	F421-C424 VanDerWaalsContact CA-SG 3.53Å; F421-C424 PolarHBondContact O-N 3.12Å; F421-C424 PolarHBondContact O-SG 2.93Å; C424-V477 HydrophobicContact CB-CG1 3.97Å; C424-V477 CarbonylContact O-C 3.56Å; C424-V477 WeakPolarHBondContact O-CG1 3.07Å; C424-K478 WeakPolarHBondContact O-CA 3.48Å
425	I	91.2	Very high	92.4	Very high	16 Å²	16	18.8 Å²	18.8	8%	0.082	10%	0.102	C	C	.	.	S	Bend	trans	-110.1	161.8	179.1	62.5	-178.2	0	0	0	111.5	F421 F427 V429 M430 I433 V477 L480	F421-I425 HydrophobicContact CB-CD1 3.53Å; F421-I425 HydrophobicContact CB-CG1 3.89Å; F421-I425 HydrophobicContact CD1-CD1 4.23Å; F421-I425 HydrophobicContact CD1-CG2 4.03Å; F421-I425 HydrophobicContact CG-CD1 4.07Å; I425-F427 PolarHBondContact O-N 3.24Å; I425-V429 HydrophobicContact CD1-CB 4.44Å; I425-V429 HydrophobicContact CD1-CG1 4.21Å; I425-M430 HydrophobicContact CD1-CB 3.76Å; I425-M430 HydrophobicContact CG1-CB 3.79Å; I425-I433 HydrophobicContact CD1-CD1 3.43Å; I425-I433 VanDerWaalsContact CD1-CD1 3.43Å; I425-I433 HydrophobicContact CD1-CG1 4.44Å; I425-V477 HydrophobicContact CB-CG1 4.48Å; I425-V477 HydrophobicContact CG2-CG1 3.3Å; I425-L480 HydrophobicContact CG2-CD2 4.32Å
426	P	87.8	Confident	92.6	Very high	24 Å²	24	14.5 Å²	14.5	16%	0.156	8%	0.079	C	C	.	.			trans	-53.5	139.7	171.5	-29.5	38.4	0	0	0	113	S428 V429 M430 V477 K478 L480 N481	P426-S428 VanDerWaalsContact C-N 3.34Å; P426-S428 PolarHBondContact O-N 3.42Å; P426-V429 HydrophobicContact CB-CG2 4.37Å; P426-V429 PolarHBondContact O-N 2.72Å; P426-M430 PolarHBondContact O-N 3.42Å; P426-V477 WeakPolarHBondContact CD-O 3.39Å; P426-K478 WeakPolarHBondContact CD-O 3.36Å; P426-K478 VanDerWaalsContact CG-O 3.24Å; P426-K478 WeakPolarHBondContact CG-O 3.46Å; P426-L480 WeakPolarHBondContact CG-O 3.41Å; P426-N481 WeakPolarHBondContact CG-OD1 3.38Å
427	F	90.3	Very high	92.6	Very high	32 Å²	32	14.2 Å²	14.2	14%	0.14	8%	0.078	C	C	.	.	H	α-helix	trans	-56.4	-44	-171.5	-170.3	-98.9	0	0	0	112.8	Y183 F185 V346 L349 F350 I425 V429 M430 L431	Y183-F427 HydrophobicContact CD1-CD1 4.16Å; Y183-F427 AromaticContact CD1-CE1 3.57Å; Y183-F427 HydrophobicContact CD1-CE1 3.57Å; Y183-F427 AromaticContact CD2-CD1 3.62Å; Y183-F427 HydrophobicContact CD2-CD1 3.62Å; Y183-F427 AromaticContact CD2-CE1 3.89Å; Y183-F427 HydrophobicContact CD2-CE1 3.89Å; Y183-F427 HydrophobicContact CE1-CE1 4.13Å; Y183-F427 HydrophobicContact CE2-CD1 4.06Å; Y183-F427 HydrophobicContact CE2-CE1 4.41Å; Y183-F427 AromaticContact CG-CD1 3.67Å; Y183-F427 HydrophobicContact CG-CD1 3.67Å; Y183-F427 AromaticContact CG-CE1 3.43Å; Y183-F427 HydrophobicContact CG-CE1 3.43Å; Y183-F427 VanDerWaalsContact CG-CE1 3.43Å; F185-F427 HydrophobicContact CE2-CB 4.22Å; F185-F427 AromaticContact CE2-CD1 3.84Å; F185-F427 HydrophobicContact CE2-CD1 3.84Å; F185-F427 AromaticContact CE2-CD2 3.48Å; F185-F427 HydrophobicContact CE2-CD2 3.48Å; F185-F427 VanDerWaalsContact CE2-CD2 3.48Å; F185-F427 AromaticContact CE2-CE1 3.97Å; F185-F427 HydrophobicContact CE2-CE1 3.97Å; F185-F427 AromaticContact CE2-CE2 3.61Å; F185-F427 HydrophobicContact CE2-CE2 3.61Å; F185-F427 AromaticContact CE2-CG 3.58Å; F185-F427 HydrophobicContact CE2-CG 3.58Å; F185-F427 AromaticContact CE2-CZ 3.87Å; F185-F427 HydrophobicContact CE2-CZ 3.87Å; F185-F427 AromaticContact CZ-CD2 3.41Å; F185-F427 HydrophobicContact CZ-CD2 3.41Å; F185-F427 VanDerWaalsContact CZ-CD2 3.41Å; F185-F427 AromaticContact CZ-CE2 3.55Å; F185-F427 HydrophobicContact CZ-CE2 3.55Å; F185-F427 AromaticContact CZ-CG 3.97Å; F185-F427 HydrophobicContact CZ-CG 3.97Å; F185-F427 HydrophobicContact CZ-CZ 4.23Å; V346-F427 HydrophobicContact CG1-CE2 4.14Å; V346-F427 HydrophobicContact CG1-CZ 4.44Å; V346-F427 HydrophobicContact CG2-CE2 4.1Å; L349-F427 HydrophobicContact CD1-CE1 4.49Å; L349-F427 HydrophobicContact CD1-CE2 4.03Å; L349-F427 HydrophobicContact CD1-CZ 3.56Å; F350-F427 HydrophobicContact CE2-CE1 4.1Å; F350-F427 AromaticContact CE2-CZ 3.8Å; F350-F427 HydrophobicContact CE2-CZ 3.8Å; F350-F427 AromaticContact CZ-CE1 3.95Å; F350-F427 HydrophobicContact CZ-CE1 3.95Å; F350-F427 HydrophobicContact CZ-CZ 4.13Å; I425-F427 PolarHBondContact O-N 3.24Å; F427-V429 VanDerWaalsContact C-N 3.29Å; F427-V429 PolarHBondContact O-N 2.77Å; F427-M430 HydrophobicContact CD2-CE 3.45Å; F427-M430 VanDerWaalsContact CD2-CE 3.45Å; F427-M430 HydrophobicContact CD2-SD 4.46Å; F427-M430 HydrophobicContact CE2-CE 3.47Å; F427-M430 VanDerWaalsContact CE2-CE 3.47Å; F427-M430 HydrophobicContact CG-CE 4.06Å; F427-M430 HydrophobicContact CZ-CE 4.05Å; F427-M430 WeakPolarHBondContact O-CB 3.42Å; F427-M430 PolarHBondContact O-N 3.09Å; F427-L431 HydrophobicContact CD1-CD1 3.94Å; F427-L431 HydrophobicContact CD1-CG 4.13Å; F427-L431 HydrophobicContact CE1-CD1 3.71Å; F427-L431 HydrophobicContact CE1-CD2 3.98Å; F427-L431 HydrophobicContact CE1-CG 3.98Å; F427-L431 HydrophobicContact CZ-CD2 4.11Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 3.25Å
428	S	87.2	Confident	92.7	Very high	31 Å²	31	14.3 Å²	14.3	22%	0.217	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-34.7	178.8	56	0	0	0	0	113.2	P426 R432	P426-S428 VanDerWaalsContact C-N 3.34Å; P426-S428 PolarHBondContact O-N 3.42Å; S428-R432 PolarHBondContact O-N 3.44Å
429	V	90.7	Very high	92.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-74.5	-42	176.1	-176.6	0	0	0	0	110.9	I425 P426 F427 L431 R432 I433 L480 A483 L486	I425-V429 HydrophobicContact CD1-CB 4.44Å; I425-V429 HydrophobicContact CD1-CG1 4.21Å; P426-V429 HydrophobicContact CB-CG2 4.37Å; P426-V429 PolarHBondContact O-N 2.72Å; F427-V429 VanDerWaalsContact C-N 3.29Å; F427-V429 PolarHBondContact O-N 2.77Å; V429-L431 VanDerWaalsContact C-N 3.31Å; V429-L431 PolarHBondContact O-N 2.82Å; V429-R432 WeakPolarHBondContact O-CB 3.38Å; V429-R432 PolarHBondContact O-N 3.4Å; V429-R432 VanDerWaalsContact O-N 3.11Å; V429-I433 PolarHBondContact O-N 3.4Å; V429-L480 HydrophobicContact CG1-CD2 4.25Å; V429-L480 WeakPolarHBondContact CG2-O 3.31Å; V429-A483 HydrophobicContact CB-CB 4.42Å; V429-A483 HydrophobicContact CG1-CB 4.24Å; V429-A483 HydrophobicContact CG2-CB 3.93Å; V429-L486 HydrophobicContact CG1-CD2 3.66Å
430	M	95	Very high	92.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-44.5	173.5	175.6	-150	65.4	0	0	111.8	V346 S422 I425 P426 F427 R432 I433 W434	V346-M430 HydrophobicContact CB-CE 4.33Å; V346-M430 HydrophobicContact CG1-CE 3.33Å; V346-M430 HydrophobicContact CG1-SD 3.94Å; V346-M430 HydrophobicContact CG2-CE 4Å; V346-M430 HydrophobicContact CG2-SD 3.86Å; S422-M430 VanDerWaalsContact CA-SD 3.53Å; I425-M430 HydrophobicContact CD1-CB 3.76Å; I425-M430 HydrophobicContact CG1-CB 3.79Å; P426-M430 PolarHBondContact O-N 3.42Å; F427-M430 HydrophobicContact CD2-CE 3.45Å; F427-M430 VanDerWaalsContact CD2-CE 3.45Å; F427-M430 HydrophobicContact CD2-SD 4.46Å; F427-M430 HydrophobicContact CE2-CE 3.47Å; F427-M430 VanDerWaalsContact CE2-CE 3.47Å; F427-M430 HydrophobicContact CG-CE 4.06Å; F427-M430 HydrophobicContact CZ-CE 4.05Å; F427-M430 WeakPolarHBondContact O-CB 3.42Å; F427-M430 PolarHBondContact O-N 3.09Å; M430-R432 VanDerWaalsContact C-N 3.26Å; M430-R432 PolarHBondContact O-N 3.27Å; M430-I433 WeakPolarHBondContact O-CB 3.28Å; M430-I433 PolarHBondContact O-N 3.26Å; M430-I433 VanDerWaalsContact O-N 3.1Å; M430-W434 HydrophobicContact CG-CG 4.47Å; M430-W434 PolarHBondContact O-N 2.98Å; M430-W434 HydrophobicContact SD-CZ2 4.44Å
431	L	94.8	Very high	92.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-40.8	177	-65.8	179.4	0	0	0	112.2	Y183 W254 F350 F427 V429 W434 D435	Y183-L431 HydrophobicContact CD1-CD1 4.31Å; Y183-L431 HydrophobicContact CE1-CD1 3.55Å; Y183-L431 HydrophobicContact CE2-CD1 4.32Å; W254-L431 HydrophobicContact CH2-CD2 3.62Å; W254-L431 HydrophobicContact CZ2-CD2 4.13Å; F350-L431 HydrophobicContact CD2-CD2 4.25Å; F350-L431 HydrophobicContact CE1-CD1 4.36Å; F350-L431 HydrophobicContact CE1-CD2 4.47Å; F350-L431 HydrophobicContact CE2-CD1 4.37Å; F350-L431 HydrophobicContact CE2-CD2 3.34Å; F350-L431 HydrophobicContact CE2-CG 4.48Å; F350-L431 HydrophobicContact CZ-CD1 3.64Å; F350-L431 HydrophobicContact CZ-CD2 3.48Å; F350-L431 VanDerWaalsContact CZ-CD2 3.48Å; F350-L431 HydrophobicContact CZ-CG 4.21Å; F427-L431 HydrophobicContact CD1-CD1 3.94Å; F427-L431 HydrophobicContact CD1-CG 4.13Å; F427-L431 HydrophobicContact CE1-CD1 3.71Å; F427-L431 HydrophobicContact CE1-CD2 3.98Å; F427-L431 HydrophobicContact CE1-CG 3.98Å; F427-L431 HydrophobicContact CZ-CD2 4.11Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 3.25Å; V429-L431 VanDerWaalsContact C-N 3.31Å; V429-L431 PolarHBondContact O-N 2.82Å; L431-W434 PolarHBondContact O-N 3.35Å; L431-D435 WeakPolarHBondContact O-CB 3.29Å; L431-D435 PolarHBondContact O-N 3.02Å
432	R	93.3	Very high	92.1	Very high	37 Å²	37	14.6 Å²	14.6	14%	0.14	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-41.8	177.1	-68.4	-73.9	-60.7	-79.2	1.9	111.5	R242 G244 S428 V429 M430 W434 D435 C436 A483 D484 F487	R242-R432 PolarHBondContact O-NH2 3.1Å; G244-R432 VanDerWaalsContact CA-NE 3.32Å; S428-R432 PolarHBondContact O-N 3.44Å; V429-R432 WeakPolarHBondContact O-CB 3.38Å; V429-R432 PolarHBondContact O-N 3.4Å; V429-R432 VanDerWaalsContact O-N 3.11Å; M430-R432 VanDerWaalsContact C-N 3.26Å; M430-R432 PolarHBondContact O-N 3.27Å; R432-W434 VanDerWaalsContact C-N 3.32Å; R432-W434 PolarHBondContact O-N 3.29Å; R432-D435 WeakPolarHBondContact O-CB 3.34Å; R432-D435 PolarHBondContact O-N 3.23Å; R432-C436 PolarHBondContact O-N 3.47Å; R432-A483 HydrophobicContact CG-CB 4.25Å; R432-D484 IonicContact NH1-OD1 2.86Å; R432-D484 PolarHBondContact NH1-OD1 3.2Å; R432-D484 VanDerWaalsContact NH1-OD1 3.17Å; R432-D484 IonicContact NH2-OD1 3.34Å; R432-F487 HydrophobicContact CB-CE2 3.44Å; R432-F487 VanDerWaalsContact CB-CE2 3.44Å; R432-F487 HydrophobicContact CB-CZ 3.54Å; R432-F487 HydrophobicContact CG-CE2 4.46Å; R432-F487 WeakPolarHBondContact O-CZ 3.49Å
433	I	95.6	Very high	91.8	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174.2	-63.7	-178.3	0	0	0	110.2	F421 I425 V429 M430 C436 F437 V444 F448 L486	F421-I433 HydrophobicContact CD2-CD1 4.23Å; F421-I433 HydrophobicContact CD2-CG2 4.36Å; F421-I433 HydrophobicContact CG-CD1 4.32Å; I425-I433 HydrophobicContact CD1-CD1 3.43Å; I425-I433 VanDerWaalsContact CD1-CD1 3.43Å; I425-I433 HydrophobicContact CD1-CG1 4.44Å; V429-I433 PolarHBondContact O-N 3.4Å; M430-I433 WeakPolarHBondContact O-CB 3.28Å; M430-I433 PolarHBondContact O-N 3.26Å; M430-I433 VanDerWaalsContact O-N 3.1Å; I433-C436 WeakPolarHBondContact O-CB 3.31Å; I433-C436 PolarHBondContact O-N 3.38Å; I433-F437 WeakPolarHBondContact O-CB 3.06Å; I433-F437 PolarHBondContact O-N 2.97Å; I433-V444 HydrophobicContact CG2-CG1 4.07Å; I433-F448 HydrophobicContact CB-CD2 4.24Å; I433-F448 HydrophobicContact CB-CE2 4.41Å; I433-F448 HydrophobicContact CD1-CB 3.95Å; I433-F448 HydrophobicContact CD1-CD1 4.1Å; I433-F448 HydrophobicContact CD1-CD2 4.3Å; I433-F448 HydrophobicContact CD1-CG 3.86Å; I433-F448 HydrophobicContact CG1-CB 4.42Å; I433-F448 HydrophobicContact CG1-CD1 3.97Å; I433-F448 HydrophobicContact CG1-CD2 3.83Å; I433-F448 HydrophobicContact CG1-CE1 4.19Å; I433-F448 HydrophobicContact CG1-CE2 4.05Å; I433-F448 HydrophobicContact CG1-CG 3.8Å; I433-F448 HydrophobicContact CG1-CZ 4.25Å; I433-F448 HydrophobicContact CG2-CD2 3.83Å; I433-F448 HydrophobicContact CG2-CE2 4.36Å; I433-F448 HydrophobicContact CG2-CG 4.35Å; I433-L486 HydrophobicContact CD1-CD2 4.2Å
434	W	97.3	Very high	92.1	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-66.7	-39	179.7	-79.5	33.3	0	0	0	113.1	W254 I343 V346 A347 L359 L420 M430 L431 R432 C436 F437 F438	W254-W434 HydrophobicContact CH2-CB 3.99Å; W254-W434 HydrophobicContact CH2-CD2 4.27Å; W254-W434 AromaticContact CH2-CE3 3.5Å; W254-W434 HydrophobicContact CH2-CE3 3.5Å; W254-W434 VanDerWaalsContact CH2-CE3 3.5Å; W254-W434 HydrophobicContact CH2-CZ3 4.3Å; W254-W434 HydrophobicContact CZ2-CB 3.66Å; W254-W434 HydrophobicContact CZ2-CE3 4.26Å; W254-W434 AromaticContact CZ3-CE3 3.82Å; W254-W434 HydrophobicContact CZ3-CE3 3.82Å; W254-W434 HydrophobicContact CZ3-CZ3 4.25Å; I343-W434 HydrophobicContact CB-CH2 4.29Å; I343-W434 HydrophobicContact CG1-CZ2 4.43Å; I343-W434 HydrophobicContact CG2-CH2 3.84Å; I343-W434 HydrophobicContact CG2-CZ2 4.29Å; I343-W434 WeakPolarHBondContact O-CH2 3.27Å; V346-W434 HydrophobicContact CB-CH2 3.67Å; V346-W434 HydrophobicContact CB-CZ2 4.4Å; V346-W434 HydrophobicContact CB-CZ3 3.96Å; V346-W434 HydrophobicContact CG1-CE3 3.99Å; V346-W434 HydrophobicContact CG1-CH2 3.57Å; V346-W434 HydrophobicContact CG1-CZ2 4.21Å; V346-W434 HydrophobicContact CG1-CZ3 3.44Å; V346-W434 VanDerWaalsContact CG1-CZ3 3.44Å; V346-W434 HydrophobicContact CG2-CH2 4.47Å; A347-W434 HydrophobicContact CB-CZ3 4.31Å; L359-W434 HydrophobicContact CD2-CZ3 4.35Å; L420-W434 HydrophobicContact CB-CZ2 4.37Å; L420-W434 PolarHBondContact O-NE1 2.95Å; M430-W434 HydrophobicContact CG-CG 4.47Å; M430-W434 PolarHBondContact O-N 2.98Å; M430-W434 HydrophobicContact SD-CZ2 4.44Å; L431-W434 PolarHBondContact O-N 3.35Å; R432-W434 VanDerWaalsContact C-N 3.32Å; R432-W434 PolarHBondContact O-N 3.29Å; W434-C436 PolarHBondContact O-N 3.33Å; W434-F437 PolarHBondContact O-N 3.42Å; W434-F437 VanDerWaalsContact O-N 3.1Å; W434-F438 HydrophobicContact CE3-CE2 4.26Å; W434-F438 AromaticContact CE3-CZ 3.76Å; W434-F438 HydrophobicContact CE3-CZ 3.76Å; W434-F438 HydrophobicContact CZ3-CZ 4.26Å; W434-F438 PolarHBondContact O-N 3.14Å
435	D	96.1	Very high	92.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-51.4	-46.7	172.4	-68.1	-17.2	0	0	0	109.7	V241 I245 R250 W254 L431 R432	V241-D435 HydrophobicContact CG1-CB 4.15Å; V241-D435 WeakPolarHBondContact CG1-O 3.22Å; I245-D435 WeakPolarHBondContact CB-OD2 3.32Å; I245-D435 HydrophobicContact CD1-CB 3.69Å; I245-D435 WeakPolarHBondContact CD1-OD1 3.45Å; I245-D435 HydrophobicContact CG1-CB 3.87Å; I245-D435 PolarHBondContact N-OD2 3.12Å; R250-D435 IonicContact CZ-OD1 2.82Å; R250-D435 IonicContact CZ-OD2 3.08Å; R250-D435 IonicContact NE-OD1 3.6Å; R250-D435 PolarHBondContact NE-OD1 3.44Å; R250-D435 IonicContact NE-OD2 2.75Å; R250-D435 IonicContact NH2-OD1 3.7Å; R250-D435 IonicContact NH2-OD2 2.64Å; R250-D435 PolarHBondContact NH2-OD2 3Å; W254-D435 PolarHBondContact NE1-OD1 3.3Å; L431-D435 WeakPolarHBondContact O-CB 3.29Å; L431-D435 PolarHBondContact O-N 3.02Å; R432-D435 WeakPolarHBondContact O-CB 3.34Å; R432-D435 PolarHBondContact O-N 3.23Å
436	C	94.8	Very high	92.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-70.5	-44	176.1	-62.6	0	0	0	0	112.5	V241 R432 I433 W434 F438 L439 E440 V444 F487	V241-C436 HydrophobicContact CG1-CB 4.42Å; R432-C436 PolarHBondContact O-N 3.47Å; I433-C436 WeakPolarHBondContact O-CB 3.31Å; I433-C436 PolarHBondContact O-N 3.38Å; W434-C436 PolarHBondContact O-N 3.33Å; C436-F438 VanDerWaalsContact C-N 3.34Å; C436-F438 PolarHBondContact O-N 3.36Å; C436-L439 PolarHBondContact O-N 3.09Å; C436-E440 WeakPolarHBondContact O-CB 3.48Å; C436-E440 PolarHBondContact O-N 2.93Å; C436-V444 HydrophobicContact CB-CG1 3.77Å; C436-V444 HydrophobicContact CB-CG2 4.01Å; C436-F487 VanDerWaalsContact SG-CE1 3.53Å
437	F	94.9	Very high	92.5	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-59.9	-43	-176.7	172.5	-94.5	0	0	0	111.6	L363 Y367 F368 L420 I433 W434 L439 G441 V444 I445	L363-F437 HydrophobicContact CD2-CE1 3.62Å; L363-F437 HydrophobicContact CD2-CZ 3.49Å; L363-F437 VanDerWaalsContact CD2-CZ 3.49Å; Y367-F437 HydrophobicContact CD1-CE1 4.47Å; Y367-F437 HydrophobicContact CD1-CZ 4.15Å; Y367-F437 AromaticContact CD2-CE1 3.81Å; Y367-F437 HydrophobicContact CD2-CE1 3.81Å; Y367-F437 AromaticContact CD2-CZ 3.83Å; Y367-F437 HydrophobicContact CD2-CZ 3.83Å; Y367-F437 HydrophobicContact CE1-CE1 4.48Å; Y367-F437 AromaticContact CE2-CE1 3.86Å; Y367-F437 HydrophobicContact CE2-CE1 3.86Å; Y367-F437 HydrophobicContact CE2-CZ 4.32Å; Y367-F437 HydrophobicContact CG-CE1 4.12Å; Y367-F437 AromaticContact CG-CZ 3.73Å; Y367-F437 HydrophobicContact CG-CZ 3.73Å; F368-F437 AromaticContact CE2-CE2 3.97Å; F368-F437 HydrophobicContact CE2-CE2 3.97Å; F368-F437 AromaticContact CE2-CZ 3.79Å; F368-F437 HydrophobicContact CE2-CZ 3.79Å; F368-F437 AromaticContact CZ-CE2 3.89Å; F368-F437 HydrophobicContact CZ-CE2 3.89Å; F368-F437 HydrophobicContact CZ-CZ 4.2Å; L420-F437 HydrophobicContact CD1-CD1 4.49Å; L420-F437 HydrophobicContact CD1-CE1 4.01Å; L420-F437 HydrophobicContact CD1-CZ 4.08Å; L420-F437 HydrophobicContact CD2-CE2 4.24Å; L420-F437 HydrophobicContact CD2-CZ 4.37Å; I433-F437 WeakPolarHBondContact O-CB 3.06Å; I433-F437 PolarHBondContact O-N 2.97Å; W434-F437 PolarHBondContact O-N 3.42Å; W434-F437 VanDerWaalsContact O-N 3.1Å; F437-L439 PolarHBondContact O-N 2.72Å; F437-G441 VanDerWaalsContact O-CA 3.29Å; F437-G441 WeakPolarHBondContact O-CA 3.37Å; F437-G441 PolarHBondContact O-N 3.34Å; F437-V444 HydrophobicContact CB-CB 4.27Å; F437-V444 HydrophobicContact CB-CG1 4.14Å; F437-I445 HydrophobicContact CD2-CG2 3.83Å; F437-I445 HydrophobicContact CE2-CG2 4.19Å
438	F	95.1	Very high	92.7	Very high	3 Å²	3	7.2 Å²	7.2	1%	0.013	4%	0.036	C	C	.	.	H	α-helix	trans	-64	-30.2	179.7	-70.1	-22.2	0	0	0	113.6	W254 L257 L258 L359 Y367 W434 C436	W254-F438 HydrophobicContact CB-CD2 4.13Å; W254-F438 HydrophobicContact CB-CE2 4.15Å; W254-F438 AromaticContact CD1-CD2 3.69Å; W254-F438 AromaticContact CD2-CD2 3.77Å; W254-F438 HydrophobicContact CD2-CD2 3.77Å; W254-F438 AromaticContact CD2-CE2 3.37Å; W254-F438 HydrophobicContact CD2-CE2 3.37Å; W254-F438 AromaticContact CE2-CD2 3.85Å; W254-F438 AromaticContact CE2-CE2 3.66Å; W254-F438 HydrophobicContact CE3-CD2 4.44Å; W254-F438 AromaticContact CE3-CE2 3.6Å; W254-F438 HydrophobicContact CE3-CE2 3.6Å; W254-F438 HydrophobicContact CE3-CZ 4.47Å; W254-F438 AromaticContact CG-CD2 3.62Å; W254-F438 HydrophobicContact CG-CD2 3.62Å; W254-F438 AromaticContact CG-CE2 3.66Å; W254-F438 HydrophobicContact CG-CE2 3.66Å; W254-F438 HydrophobicContact CH2-CE2 4.29Å; W254-F438 HydrophobicContact CZ2-CE2 4.12Å; W254-F438 HydrophobicContact CZ3-CE2 4.05Å; W254-F438 AromaticContact NE1-CD2 3.83Å; L257-F438 HydrophobicContact CB-CB 4.05Å; L257-F438 HydrophobicContact CD1-CB 3.67Å; L257-F438 HydrophobicContact CG-CB 4.47Å; L258-F438 HydrophobicContact CD2-CD1 4.36Å; L258-F438 HydrophobicContact CD2-CE1 4.28Å; L359-F438 HydrophobicContact CD1-CD1 4.41Å; L359-F438 HydrophobicContact CD1-CE1 3.41Å; L359-F438 VanDerWaalsContact CD1-CE1 3.41Å; L359-F438 HydrophobicContact CD1-CZ 3.83Å; L359-F438 HydrophobicContact CD2-CE1 4.49Å; L359-F438 HydrophobicContact CD2-CZ 4.11Å; Y367-F438 HydrophobicContact CE2-CD1 4.49Å; Y367-F438 WeakPolarHBondContact OH-CA 3.39Å; Y367-F438 PolarHBondContact OH-O 3.4Å; W434-F438 HydrophobicContact CE3-CE2 4.26Å; W434-F438 AromaticContact CE3-CZ 3.76Å; W434-F438 HydrophobicContact CE3-CZ 3.76Å; W434-F438 HydrophobicContact CZ3-CZ 4.26Å; W434-F438 PolarHBondContact O-N 3.14Å; C436-F438 VanDerWaalsContact C-N 3.34Å; C436-F438 PolarHBondContact O-N 3.36Å
439	L	92.8	Very high	93	Very high	10 Å²	10	5.7 Å²	5.7	5%	0.052	3%	0.025	C	C	.	.	H	α-helix	trans	-88.7	-45.7	177.7	179.8	65.9	0	0	0	113.4	N233 L237 R238 V241 L257 C436 F437	N233-L439 HydrophobicContact CB-CD1 4.06Å; N233-L439 PolarHBondContact ND2-O 3.01Å; L237-L439 HydrophobicContact CB-CD2 4.46Å; L237-L439 HydrophobicContact CD2-CD1 3.67Å; L237-L439 HydrophobicContact CD2-CD2 4.24Å; L237-L439 HydrophobicContact CG-CD1 4.18Å; L237-L439 HydrophobicContact CG-CD2 3.81Å; R238-L439 HydrophobicContact CB-CD2 4.34Å; R238-L439 HydrophobicContact CG-CD2 3.76Å; R238-L439 HydrophobicContact CG-CG 4.41Å; V241-L439 HydrophobicContact CB-CD2 3.93Å; V241-L439 HydrophobicContact CG1-CD2 4.31Å; V241-L439 HydrophobicContact CG2-CD2 3.71Å; L257-L439 HydrophobicContact CD1-CB 4.44Å; L257-L439 HydrophobicContact CD2-CB 4.29Å; L257-L439 HydrophobicContact CD2-CD1 3.86Å; C436-L439 PolarHBondContact O-N 3.09Å; F437-L439 PolarHBondContact O-N 2.72Å
440	E	90	Very high	93.2	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.033	3%	0.025	C	C	.	.	H	α-helix	trans	-100.4	-14.4	-167.9	-62.8	-175	-130.4	0	0	114	R238 R242 C436 K443 V444 R447	R238-E440 HydrophobicContact CG-CG 4.1Å; R242-E440 IonicContact CZ-OE1 3.01Å; R242-E440 IonicContact CZ-OE2 3.37Å; R242-E440 IonicContact NE-OE1 2.76Å; R242-E440 PolarHBondContact NE-OE1 3.03Å; R242-E440 IonicContact NE-OE2 3.51Å; R242-E440 IonicContact NH2-OE1 3.7Å; R242-E440 PolarHBondContact NH2-OE1 3.37Å; R242-E440 IonicContact NH2-OE2 2.8Å; R242-E440 PolarHBondContact NH2-OE2 3.35Å; C436-E440 WeakPolarHBondContact O-CB 3.48Å; C436-E440 PolarHBondContact O-N 2.93Å; E440-K443 VanDerWaalsContact O-CE 3.29Å; E440-K443 WeakPolarHBondContact O-CE 3.44Å; E440-V444 HydrophobicContact CB-CG2 3.59Å; E440-V444 HydrophobicContact CG-CG2 4.48Å; E440-R447 IonicContact OE1-NH1 2.7Å; E440-R447 IonicContact OE1-NH2 2.79Å; E440-R447 PolarHBondContact OE1-NH2 2.96Å; E440-R447 IonicContact OE2-CZ 3.92Å; E440-R447 IonicContact OE2-NH1 3.1Å; E440-R447 PolarHBondContact OE2-NH1 3.48Å; E440-R447 IonicContact OE2-NH2 3.21Å
441	G	89.7	Confident	93.1	Very high	3 Å²	3	5.7 Å²	5.7	3%	0.031	3%	0.025	C	C	.	.			trans	85.3	-166.9	176.2	0	0	0	0	0	115.7	F437 K443 V444	F437-G441 VanDerWaalsContact O-CA 3.29Å; F437-G441 WeakPolarHBondContact O-CA 3.37Å; F437-G441 PolarHBondContact O-N 3.34Å; G441-K443 PolarHBondContact O-N 3.41Å; G441-K443 VanDerWaalsContact O-N 3.08Å; G441-V444 WeakPolarHBondContact O-CB 3.15Å; G441-V444 WeakPolarHBondContact O-CG2 3.31Å; G441-V444 PolarHBondContact O-N 3.16Å; G441-V444 VanDerWaalsContact O-N 3.15Å
442	P	88.6	Confident	93	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.3	-172	-29.2	33.3	0	0	0	115.3	G40 L41 Y367 F368 V444 I445 Y446	G40-P442 WeakPolarHBondContact O-CB 3.45Å; G40-P442 VanDerWaalsContact O-CD 3.24Å; G40-P442 WeakPolarHBondContact O-CD 3.2Å; G40-P442 VanDerWaalsContact O-CG 3.23Å; G40-P442 WeakPolarHBondContact O-CG 3.24Å; L41-P442 HydrophobicContact CD2-CG 4.44Å; Y367-P442 WeakPolarHBondContact O-CG 3.4Å; F368-P442 HydrophobicContact CD1-CB 4.29Å; F368-P442 HydrophobicContact CD1-CG 4.23Å; F368-P442 HydrophobicContact CE1-CB 3.68Å; F368-P442 HydrophobicContact CE1-CG 3.99Å; F368-P442 HydrophobicContact CZ-CB 4.13Å; F368-P442 HydrophobicContact CZ-CG 4.34Å; P442-V444 PolarHBondContact O-N 3.15Å; P442-I445 WeakPolarHBondContact O-CG1 3.25Å; P442-I445 PolarHBondContact O-N 3.44Å; P442-Y446 HydrophobicContact CB-CE2 4.48Å; P442-Y446 WeakPolarHBondContact O-CD2 3.38Å
443	K	88.1	Confident	93.1	Very high	44 Å²	44	4 Å²	4	19%	0.191	2%	0.019	C	C	.	.	H	α-helix	trans	-49.4	-29.7	179.4	70.5	175.8	177.6	-172.3	0	114.1	E440 G441 I445 Y446 R447 F498	E440-K443 VanDerWaalsContact O-CE 3.29Å; E440-K443 WeakPolarHBondContact O-CE 3.44Å; G441-K443 PolarHBondContact O-N 3.41Å; G441-K443 VanDerWaalsContact O-N 3.08Å; K443-I445 VanDerWaalsContact C-N 3.35Å; K443-I445 PolarHBondContact O-N 3.25Å; K443-Y446 PolarHBondContact O-N 3.18Å; K443-R447 WeakPolarHBondContact O-CB 3.17Å; K443-R447 PolarHBondContact O-N 3Å; K443-F498 HydrophobicContact CB-CD1 4.02Å; K443-F498 HydrophobicContact CB-CE1 3.41Å; K443-F498 VanDerWaalsContact CB-CE1 3.41Å; K443-F498 HydrophobicContact CB-CE2 4.2Å; K443-F498 HydrophobicContact CB-CZ 3.53Å; K443-F498 HydrophobicContact CD-CD1 4.37Å; K443-F498 HydrophobicContact CD-CD2 4.16Å; K443-F498 HydrophobicContact CD-CE1 4.38Å; K443-F498 HydrophobicContact CD-CE2 4.14Å; K443-F498 HydrophobicContact CD-CG 4.28Å; K443-F498 HydrophobicContact CD-CZ 4.28Å; K443-F498 HydrophobicContact CG-CE1 4.43Å; K443-F498 HydrophobicContact CG-CE2 4.44Å; K443-F498 HydrophobicContact CG-CZ 4.22Å; K443-F498 WeakPolarHBondContact O-CZ 3.1Å
444	V	91.4	Very high	92.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.2	-42.8	177.6	174.1	0	0	0	0	112	I433 C436 F437 E440 G441 P442 Y446 R447 F448	I433-V444 HydrophobicContact CG2-CG1 4.07Å; C436-V444 HydrophobicContact CB-CG1 3.77Å; C436-V444 HydrophobicContact CB-CG2 4.01Å; F437-V444 HydrophobicContact CB-CB 4.27Å; F437-V444 HydrophobicContact CB-CG1 4.14Å; E440-V444 HydrophobicContact CB-CG2 3.59Å; E440-V444 HydrophobicContact CG-CG2 4.48Å; G441-V444 WeakPolarHBondContact O-CB 3.15Å; G441-V444 WeakPolarHBondContact O-CG2 3.31Å; G441-V444 PolarHBondContact O-N 3.16Å; G441-V444 VanDerWaalsContact O-N 3.15Å; P442-V444 PolarHBondContact O-N 3.15Å; V444-Y446 PolarHBondContact O-N 3.41Å; V444-R447 WeakPolarHBondContact O-CB 3.2Å; V444-R447 PolarHBondContact O-N 3.16Å; V444-F448 HydrophobicContact CG1-CD2 3.53Å; V444-F448 HydrophobicContact CG1-CE2 3.64Å; V444-F448 VanDerWaalsContact O-CD2 3.23Å; V444-F448 WeakPolarHBondContact O-CD2 3.27Å; V444-F448 PolarHBondContact O-N 2.78Å
445	I	92.7	Very high	92.6	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-68	-38.1	-175.9	77.2	-155	0	0	0	111.4	F368 F417 L420 F421 F437 P442 K443 F448 A449	F368-I445 HydrophobicContact CE1-CD1 3.67Å; F368-I445 HydrophobicContact CZ-CD1 3.51Å; F417-I445 HydrophobicContact CD1-CD1 3.93Å; F417-I445 HydrophobicContact CD1-CG1 3.81Å; F417-I445 HydrophobicContact CE1-CD1 4.43Å; F417-I445 HydrophobicContact CE1-CG1 3.87Å; L420-I445 HydrophobicContact CD2-CD1 4.42Å; L420-I445 HydrophobicContact CD2-CG2 3.97Å; F421-I445 HydrophobicContact CE2-CB 4.2Å; F437-I445 HydrophobicContact CD2-CG2 3.83Å; F437-I445 HydrophobicContact CE2-CG2 4.19Å; P442-I445 WeakPolarHBondContact O-CG1 3.25Å; P442-I445 PolarHBondContact O-N 3.44Å; K443-I445 VanDerWaalsContact C-N 3.35Å; K443-I445 PolarHBondContact O-N 3.25Å; I445-F448 PolarHBondContact O-N 2.87Å; I445-A449 VanDerWaalsContact O-CB 3.25Å; I445-A449 WeakPolarHBondContact O-CB 3.24Å; I445-A449 PolarHBondContact O-N 3.26Å
446	Y	92	Very high	92.3	Very high	6 Å²	6	9.5 Å²	9.5	2%	0.024	5%	0.047	C	C	.	.	H	α-helix	trans	-66.2	-43.8	175.4	-61.1	-81.2	0	0	0	111.1	S383 V386 I390 F417 P442 K443 V444 F448 A449 T450	S383-Y446 WeakPolarHBondContact CB-OH 3.27Å; S383-Y446 WeakPolarHBondContact O-CE1 3.35Å; S383-Y446 PolarHBondContact OG-OH 3.22Å; V386-Y446 HydrophobicContact CB-CD1 4.33Å; V386-Y446 HydrophobicContact CB-CE1 3.79Å; V386-Y446 HydrophobicContact CG1-CD1 3.81Å; V386-Y446 HydrophobicContact CG1-CE1 3.62Å; I390-Y446 HydrophobicContact CD1-CD1 4.18Å; I390-Y446 HydrophobicContact CD1-CG 4.39Å; F417-Y446 HydrophobicContact CD1-CE1 4.38Å; F417-Y446 AromaticContact CE1-CD1 3.62Å; F417-Y446 HydrophobicContact CE1-CD1 3.62Å; F417-Y446 AromaticContact CE1-CE1 3.71Å; F417-Y446 HydrophobicContact CE1-CE1 3.71Å; F417-Y446 HydrophobicContact CE1-CG 4.26Å; F417-Y446 HydrophobicContact CZ-CD1 4.12Å; F417-Y446 HydrophobicContact CZ-CE1 4.36Å; P442-Y446 HydrophobicContact CB-CE2 4.48Å; P442-Y446 WeakPolarHBondContact O-CD2 3.38Å; K443-Y446 PolarHBondContact O-N 3.18Å; V444-Y446 PolarHBondContact O-N 3.41Å; Y446-F448 VanDerWaalsContact C-N 3.34Å; Y446-F448 PolarHBondContact O-N 2.83Å; Y446-A449 PolarHBondContact O-N 2.85Å; Y446-T450 WeakPolarHBondContact O-CB 3.23Å; Y446-T450 PolarHBondContact O-N 2.96Å; Y446-T450 PolarHBondContact O-OG1 3.02Å
447	R	92	Very high	92.3	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-57.6	-47.4	177.3	-174.1	176.6	67.2	-158.2	4.1	111.2	R242 E440 K443 V444 A451 S490 I493 D494 F498	R242-R447 VanDerWaalsContact NH2-NH1 3.16Å; E440-R447 IonicContact OE1-NH1 2.7Å; E440-R447 IonicContact OE1-NH2 2.79Å; E440-R447 PolarHBondContact OE1-NH2 2.96Å; E440-R447 IonicContact OE2-CZ 3.92Å; E440-R447 IonicContact OE2-NH1 3.1Å; E440-R447 PolarHBondContact OE2-NH1 3.48Å; E440-R447 IonicContact OE2-NH2 3.21Å; K443-R447 WeakPolarHBondContact O-CB 3.17Å; K443-R447 PolarHBondContact O-N 3Å; V444-R447 WeakPolarHBondContact O-CB 3.2Å; V444-R447 PolarHBondContact O-N 3.16Å; R447-A451 WeakPolarHBondContact O-CB 3.34Å; R447-A451 PolarHBondContact O-N 2.8Å; R447-S490 VanDerWaalsContact CD-O 3.25Å; R447-S490 WeakPolarHBondContact CD-O 3.4Å; R447-S490 VanDerWaalsContact CG-O 3.29Å; R447-S490 WeakPolarHBondContact CG-O 3.39Å; R447-I493 HydrophobicContact CG-CG2 4.36Å; R447-D494 WeakPolarHBondContact CD-OD1 2.96Å; R447-D494 IonicContact CZ-OD1 3.17Å; R447-D494 IonicContact NH1-OD1 3.83Å; R447-D494 PolarHBondContact NH1-OD1 3.15Å; R447-D494 IonicContact NH1-OD2 3.68Å; R447-F498 HydrophobicContact CB-CZ 4.43Å
448	F	94.1	Very high	92.2	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-73.3	-38.4	179.3	-80.2	-69.6	0	0	0	113.6	F421 I433 V444 I445 Y446 T450 A451 L452 L486 F487	F421-F448 HydrophobicContact CE2-CB 4.36Å; F421-F448 HydrophobicContact CZ-CB 4.39Å; I433-F448 HydrophobicContact CB-CD2 4.24Å; I433-F448 HydrophobicContact CB-CE2 4.41Å; I433-F448 HydrophobicContact CD1-CB 3.95Å; I433-F448 HydrophobicContact CD1-CD1 4.1Å; I433-F448 HydrophobicContact CD1-CD2 4.3Å; I433-F448 HydrophobicContact CD1-CG 3.86Å; I433-F448 HydrophobicContact CG1-CB 4.42Å; I433-F448 HydrophobicContact CG1-CD1 3.97Å; I433-F448 HydrophobicContact CG1-CD2 3.83Å; I433-F448 HydrophobicContact CG1-CE1 4.19Å; I433-F448 HydrophobicContact CG1-CE2 4.05Å; I433-F448 HydrophobicContact CG1-CG 3.8Å; I433-F448 HydrophobicContact CG1-CZ 4.25Å; I433-F448 HydrophobicContact CG2-CD2 3.83Å; I433-F448 HydrophobicContact CG2-CE2 4.36Å; I433-F448 HydrophobicContact CG2-CG 4.35Å; V444-F448 HydrophobicContact CG1-CD2 3.53Å; V444-F448 HydrophobicContact CG1-CE2 3.64Å; V444-F448 VanDerWaalsContact O-CD2 3.23Å; V444-F448 WeakPolarHBondContact O-CD2 3.27Å; V444-F448 PolarHBondContact O-N 2.78Å; I445-F448 PolarHBondContact O-N 2.87Å; Y446-F448 VanDerWaalsContact C-N 3.34Å; Y446-F448 PolarHBondContact O-N 2.83Å; F448-T450 VanDerWaalsContact C-N 3.26Å; F448-T450 PolarHBondContact O-N 3.49Å; F448-A451 PolarHBondContact O-N 2.89Å; F448-L452 WeakPolarHBondContact O-CB 3.42Å; F448-L452 PolarHBondContact O-N 2.69Å; F448-L486 HydrophobicContact CD1-CD1 4.12Å; F448-L486 HydrophobicContact CD1-CD2 3.48Å; F448-L486 VanDerWaalsContact CD1-CD2 3.48Å; F448-L486 HydrophobicContact CD1-CG 3.56Å; F448-L486 HydrophobicContact CE1-CD2 3.82Å; F448-L486 HydrophobicContact CE1-CG 3.81Å; F448-F487 AromaticContact CE1-CD2 3.56Å; F448-F487 HydrophobicContact CE1-CD2 3.56Å; F448-F487 AromaticContact CE1-CE2 3.54Å; F448-F487 HydrophobicContact CE1-CE2 3.54Å; F448-F487 HydrophobicContact CE1-CG 4.14Å; F448-F487 HydrophobicContact CE1-CZ 4.1Å; F448-F487 HydrophobicContact CE2-CE2 4.39Å; F448-F487 HydrophobicContact CE2-CZ 4.21Å; F448-F487 HydrophobicContact CZ-CD1 4.11Å; F448-F487 AromaticContact CZ-CD2 3.67Å; F448-F487 HydrophobicContact CZ-CD2 3.67Å; F448-F487 AromaticContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE1 3.8Å; F448-F487 AromaticContact CZ-CE2 3.33Å; F448-F487 HydrophobicContact CZ-CE2 3.33Å; F448-F487 HydrophobicContact CZ-CG 4.06Å; F448-F487 AromaticContact CZ-CZ 3.39Å; F448-F487 HydrophobicContact CZ-CZ 3.39Å
449	A	94.4	Very high	92.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-41.4	172.8	0	0	0	0	0	111.6	L387 W416 F417 F421 I445 Y446 L453	L387-A449 HydrophobicContact CD1-CB 3.88Å; L387-A449 HydrophobicContact CD2-CB 4.23Å; W416-A449 HydrophobicContact CE3-CB 3.86Å; W416-A449 HydrophobicContact CZ3-CB 4.26Å; F417-A449 HydrophobicContact CZ-CB 3.99Å; F421-A449 HydrophobicContact CZ-CB 3.99Å; I445-A449 VanDerWaalsContact O-CB 3.25Å; I445-A449 WeakPolarHBondContact O-CB 3.24Å; I445-A449 PolarHBondContact O-N 3.26Å; Y446-A449 PolarHBondContact O-N 2.85Å; A449-L453 WeakPolarHBondContact O-CG 3.29Å; A449-L453 PolarHBondContact O-N 2.91Å
450	T	94	Very high	92.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.9	-45	177.7	-50.1	0	0	0	0	111.4	I390 L391 K394 Y446 F448 L452 L453 V454 I493 F497	I390-T450 HydrophobicContact CG2-CG2 3.63Å; I390-T450 WeakPolarHBondContact CG2-OG1 3.24Å; L391-T450 HydrophobicContact CD2-CG2 4.11Å; K394-T450 HydrophobicContact CB-CG2 4.11Å; K394-T450 HydrophobicContact CG-CG2 4.43Å; Y446-T450 WeakPolarHBondContact O-CB 3.23Å; Y446-T450 PolarHBondContact O-N 2.96Å; Y446-T450 PolarHBondContact O-OG1 3.02Å; F448-T450 VanDerWaalsContact C-N 3.26Å; F448-T450 PolarHBondContact O-N 3.49Å; T450-L452 VanDerWaalsContact C-N 3.26Å; T450-L452 PolarHBondContact O-N 3.07Å; T450-L453 PolarHBondContact O-N 3.31Å; T450-L453 VanDerWaalsContact O-N 3.16Å; T450-V454 HydrophobicContact CG2-CG2 4.12Å; T450-V454 WeakPolarHBondContact O-CB 3.48Å; T450-V454 VanDerWaalsContact O-CG2 3.28Å; T450-V454 WeakPolarHBondContact O-CG2 3.38Å; T450-V454 PolarHBondContact O-N 2.9Å; T450-I493 HydrophobicContact CG2-CD1 3.9Å; T450-F497 HydrophobicContact CG2-CE2 4.08Å; T450-F497 HydrophobicContact CG2-CZ 4.24Å; T450-F497 WeakPolarHBondContact OG1-CZ 3.38Å
451	A	93.7	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-44.1	177.6	0	0	0	0	0	111.6	R447 F448 L453 V454 M455 L486 V489 I493	R447-A451 WeakPolarHBondContact O-CB 3.34Å; R447-A451 PolarHBondContact O-N 2.8Å; F448-A451 PolarHBondContact O-N 2.89Å; A451-L453 VanDerWaalsContact C-N 3.35Å; A451-L453 PolarHBondContact O-N 3.39Å; A451-V454 PolarHBondContact O-N 3.21Å; A451-M455 WeakPolarHBondContact O-CB 3.25Å; A451-M455 VanDerWaalsContact O-CG 3.23Å; A451-M455 WeakPolarHBondContact O-CG 3.39Å; A451-M455 PolarHBondContact O-N 3.41Å; A451-L486 HydrophobicContact CB-CD1 3.84Å; A451-V489 HydrophobicContact CB-CB 4.21Å; A451-V489 HydrophobicContact CB-CG1 3.91Å; A451-I493 VanDerWaalsContact CA-CD1 3.44Å; A451-I493 HydrophobicContact CB-CD1 3.84Å
452	L	92.9	Very high	92.5	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-45.4	177.6	-170.6	148.2	0	0	0	111.8	W416 F448 T450 H456 V477 L480 L486	W416-L452 HydrophobicContact CH2-CD2 3.69Å; W416-L452 HydrophobicContact CZ2-CD2 4.08Å; W416-L452 HydrophobicContact CZ3-CD2 4.35Å; F448-L452 WeakPolarHBondContact O-CB 3.42Å; F448-L452 PolarHBondContact O-N 2.69Å; T450-L452 VanDerWaalsContact C-N 3.26Å; T450-L452 PolarHBondContact O-N 3.07Å; L452-H456 PolarHBondContact O-CD2 3.03Å; L452-H456 VanDerWaalsContact O-CD2 3.25Å; L452-H456 PolarHBondContact O-N 3.46Å; L452-V477 HydrophobicContact CD1-CB 4.1Å; L452-V477 HydrophobicContact CD1-CG1 3.99Å; L452-V477 HydrophobicContact CD1-CG2 3.59Å; L452-V477 HydrophobicContact CD2-CG2 3.57Å; L452-V477 HydrophobicContact CG-CG2 4.18Å; L452-L480 HydrophobicContact CD1-CD2 3.99Å; L452-L486 HydrophobicContact CB-CD1 4.4Å
453	L	94	Very high	92.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-37.1	179.5	-69.5	171.9	0	0	0	112.8	L387 L391 L398 I409 W416 A449 T450 A451 H456 Q457 L473	L387-L453 HydrophobicContact CD1-CD1 4.44Å; L387-L453 HydrophobicContact CD2-CD1 4.18Å; L391-L453 HydrophobicContact CD1-CD1 3.49Å; L391-L453 VanDerWaalsContact CD1-CD1 3.49Å; L391-L453 HydrophobicContact CD2-CB 3.91Å; L391-L453 HydrophobicContact CD2-CD1 3.86Å; L391-L453 HydrophobicContact CG-CD1 4.25Å; L398-L453 HydrophobicContact CD2-CB 4.03Å; I409-L453 HydrophobicContact CD1-CD1 4.03Å; I409-L453 HydrophobicContact CD1-CD2 3.74Å; I409-L453 HydrophobicContact CG1-CD1 3.93Å; W416-L453 HydrophobicContact CH2-CD1 4.47Å; W416-L453 HydrophobicContact CH2-CD2 4.01Å; W416-L453 HydrophobicContact CH2-CG 4.16Å; W416-L453 HydrophobicContact CZ3-CD1 4.12Å; W416-L453 HydrophobicContact CZ3-CD2 4.45Å; W416-L453 HydrophobicContact CZ3-CG 4.13Å; A449-L453 WeakPolarHBondContact O-CG 3.29Å; A449-L453 PolarHBondContact O-N 2.91Å; T450-L453 PolarHBondContact O-N 3.31Å; T450-L453 VanDerWaalsContact O-N 3.16Å; A451-L453 VanDerWaalsContact C-N 3.35Å; A451-L453 PolarHBondContact O-N 3.39Å; L453-H456 CarbonylContact O-C 3.3Å; L453-H456 PolarHBondContact O-N 3.27Å; L453-Q457 PolarHBondContact O-N 3.39Å; L453-L473 HydrophobicContact CD2-CD1 4.46Å; L453-L473 HydrophobicContact CD2-CD2 3.76Å
454	V	92.8	Very high	92.6	Very high	30 Å²	30	32.7 Å²	32.7	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-39.8	176.3	169.3	0	0	0	0	111.5	A395 T450 A451 H456 Q457 V489 I493	A395-V454 HydrophobicContact CB-CG2 4.2Å; T450-V454 HydrophobicContact CG2-CG2 4.12Å; T450-V454 WeakPolarHBondContact O-CB 3.48Å; T450-V454 VanDerWaalsContact O-CG2 3.28Å; T450-V454 WeakPolarHBondContact O-CG2 3.38Å; T450-V454 PolarHBondContact O-N 2.9Å; A451-V454 PolarHBondContact O-N 3.21Å; V454-H456 PolarHBondContact O-N 2.95Å; V454-Q457 WeakPolarHBondContact O-CG 3.28Å; V454-Q457 PolarHBondContact O-N 3.09Å; V454-Q457 PolarHBondContact O-NE2 3.43Å; V454-V489 HydrophobicContact CB-CG1 4.31Å; V454-V489 HydrophobicContact CG1-CG1 4.06Å; V454-I493 HydrophobicContact CG2-CD1 4.33Å
455	M	90.6	Very high	92.5	Very high	55 Å²	55	36.2 Å²	36.2	27%	0.271	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-36.5	176.6	-78	172.1	59.9	0	0	112.4	A451 L480 I485 L486 V489	A451-M455 WeakPolarHBondContact O-CB 3.25Å; A451-M455 VanDerWaalsContact O-CG 3.23Å; A451-M455 WeakPolarHBondContact O-CG 3.39Å; A451-M455 PolarHBondContact O-N 3.41Å; M455-L480 HydrophobicContact CE-CD1 3.87Å; M455-I485 HydrophobicContact CE-CB 4.43Å; M455-I485 HydrophobicContact CE-CG2 3.61Å; M455-I485 HydrophobicContact SD-CG2 4.23Å; M455-L486 HydrophobicContact SD-CB 4.23Å; M455-L486 HydrophobicContact SD-CD1 3.79Å; M455-V489 HydrophobicContact CG-CB 4.16Å; M455-V489 HydrophobicContact CG-CG1 4.18Å; M455-V489 HydrophobicContact CG-CG2 3.76Å; M455-V489 HydrophobicContact SD-CB 4.45Å; M455-V489 HydrophobicContact SD-CG2 4.28Å
456	H	90.5	Very high	92.5	Very high	34 Å²	34	39.9 Å²	39.9	16%	0.157	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.2	-173.6	-67.7	-60.5	0	0	0	114.2	L452 L453 V454 Q458 D459 V460 F472	L452-H456 PolarHBondContact O-CD2 3.03Å; L452-H456 VanDerWaalsContact O-CD2 3.25Å; L452-H456 PolarHBondContact O-N 3.46Å; L453-H456 CarbonylContact O-C 3.3Å; L453-H456 PolarHBondContact O-N 3.27Å; V454-H456 PolarHBondContact O-N 2.95Å; H456-Q458 VanDerWaalsContact C-N 3.29Å; H456-Q458 PolarHBondContact O-N 3.47Å; H456-D459 IonicContact ND1-OD2 3.74Å; H456-D459 PolarHBondContact O-N 3.44Å; H456-V460 VanDerWaalsContact O-CG2 3.31Å; H456-V460 WeakPolarHBondContact O-CG2 3.46Å; H456-V460 PolarHBondContact O-N 2.69Å; H456-F472 HydrophobicContact CB-CE1 3.88Å; H456-F472 HydrophobicContact CB-CZ 4.28Å; H456-F472 AromaticContact ND1-CZ 3.89Å
457	Q	93.8	Very high	92.5	Very high	47 Å²	47	44.7 Å²	44.7	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-38.8	-172.4	69.9	-175.8	-53.9	0	0	112.8	L398 L453 V454 V460 I461	L398-Q457 HydrophobicContact CB-CB 4.26Å; L398-Q457 HydrophobicContact CD2-CB 4.18Å; L453-Q457 PolarHBondContact O-N 3.39Å; V454-Q457 WeakPolarHBondContact O-CG 3.28Å; V454-Q457 PolarHBondContact O-N 3.09Å; V454-Q457 PolarHBondContact O-NE2 3.43Å; Q457-V460 PolarHBondContact O-N 3.32Å; Q457-I461 WeakPolarHBondContact O-CB 3.38Å; Q457-I461 WeakPolarHBondContact O-CD1 3.19Å; Q457-I461 WeakPolarHBondContact O-CG1 3.4Å; Q457-I461 PolarHBondContact O-N 3.31Å
458	Q	93.7	Very high	92.5	Very high	123 Å²	123	46.5 Å²	46.5	58%	0.575	25%	0.25	S	S	*	.	H	α-helix	trans	-68.8	-43.6	-177.6	-63.2	-58.1	-33.1	0	0	110.9	H456 V460 I461 A462	H456-Q458 VanDerWaalsContact C-N 3.29Å; H456-Q458 PolarHBondContact O-N 3.47Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.08Å; Q458-I461 PolarHBondContact O-N 3Å; Q458-A462 PolarHBondContact O-N 3.16Å
459	D	91.7	Very high	92.4	Very high	77 Å²	77	46.4 Å²	46.4	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-42.7	177	-53.3	-49.8	0	0	0	111.2	H456 A462 L463 F472	H456-D459 IonicContact ND1-OD2 3.74Å; H456-D459 PolarHBondContact O-N 3.44Å; D459-A462 PolarHBondContact O-N 3.03Å; D459-L463 WeakPolarHBondContact O-CG 3.19Å; D459-F472 HydrophobicContact CB-CD1 4.49Å; D459-F472 HydrophobicContact CB-CE1 3.65Å; D459-F472 HydrophobicContact CB-CE2 3.66Å; D459-F472 HydrophobicContact CB-CZ 3.16Å; D459-F472 WeakPolarHBondContact OD2-CZ 3.45Å
460	V	92.7	Very high	92.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-37.1	179.5	176.9	0	0	0	0	111.9	L398 H401 L402 H456 Q457 Q458 A462 L463 K469 F472 L473	L398-V460 HydrophobicContact CD1-CB 3.95Å; L398-V460 HydrophobicContact CD1-CG1 3.7Å; H401-V460 PolarHBondContact NE2-O 2.95Å; L402-V460 HydrophobicContact CD2-CG1 3.93Å; H456-V460 VanDerWaalsContact O-CG2 3.31Å; H456-V460 WeakPolarHBondContact O-CG2 3.46Å; H456-V460 PolarHBondContact O-N 2.69Å; Q457-V460 PolarHBondContact O-N 3.32Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.08Å; V460-A462 VanDerWaalsContact C-N 3.32Å; V460-L463 PolarHBondContact O-N 3.41Å; V460-K469 HydrophobicContact CG1-CD 4.46Å; V460-K469 HydrophobicContact CG1-CG 4.41Å; V460-F472 HydrophobicContact CG2-CD1 3.88Å; V460-F472 HydrophobicContact CG2-CE1 3.88Å; V460-L473 HydrophobicContact CG2-CD1 4.45Å; V460-L473 HydrophobicContact CG2-CD2 3.65Å; V460-L473 HydrophobicContact CG2-CG 4.02Å
461	I	95.4	Very high	92.1	Very high	46 Å²	46	55.9 Å²	55.9	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-36.3	176.4	-71.1	165.4	0	0	0	111	K397 L398 H401 Q457 Q458 L463	K397-I461 HydrophobicContact CB-CD1 4.26Å; L398-I461 HydrophobicContact CD1-CG1 4.28Å; H401-I461 HydrophobicContact CB-CG1 4.05Å; H401-I461 PolarHBondContact CE1-O 2.94Å; H401-I461 PolarHBondContact NE2-O 3.4Å; H401-I461 VanDerWaalsContact NE2-O 3.14Å; Q457-I461 WeakPolarHBondContact O-CB 3.38Å; Q457-I461 WeakPolarHBondContact O-CD1 3.19Å; Q457-I461 WeakPolarHBondContact O-CG1 3.4Å; Q457-I461 PolarHBondContact O-N 3.31Å; Q458-I461 PolarHBondContact O-N 3Å; I461-L463 PolarHBondContact O-N 3.35Å
462	A	94.1	Very high	92	Very high	76 Å²	76	58.7 Å²	58.7	63%	0.628	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.4	178.4	0	0	0	0	0	114.4	Q458 D459 V460	Q458-A462 PolarHBondContact O-N 3.16Å; D459-A462 PolarHBondContact O-N 3.03Å; V460-A462 VanDerWaalsContact C-N 3.32Å
463	L	92	Very high	91.9	Very high	42 Å²	42	58.6 Å²	58.6	22%	0.22	30%	0.299	C	S	.	.			trans	-97.9	130.2	179.4	-63.1	171	0	0	0	111.2	H401 D459 V460 I461 K469 F472	H401-L463 PolarHBondContact NE2-O 2.93Å; D459-L463 WeakPolarHBondContact O-CG 3.19Å; V460-L463 PolarHBondContact O-N 3.41Å; I461-L463 PolarHBondContact O-N 3.35Å; L463-K469 HydrophobicContact CB-CG 3.82Å; L463-K469 HydrophobicContact CD1-CG 4.33Å; L463-K469 WeakPolarHBondContact O-CE 3.46Å; L463-K469 PolarHBondContact O-NZ 3.21Å; L463-F472 HydrophobicContact CD1-CB 3.61Å; L463-F472 HydrophobicContact CD1-CD1 4.33Å; L463-F472 HydrophobicContact CD1-CD2 4.5Å; L463-F472 HydrophobicContact CD1-CG 3.89Å
464	D	85.6	Confident	91.6	Very high	143 Å²	143	64.7 Å²	64.7	77%	0.765	33%	0.326	S	S	*	.			trans	-87.7	-44.8	-177.7	-64.6	-37.4	0	0	0	112.5	K469	D464-K469 PolarHBondContact O-NZ 3.47Å
465	D	89	Confident	91.2	Very high	75 Å²	75	66.4 Å²	66.4	40%	0.401	34%	0.338	S	S	.	.	S	Bend	trans	-92.5	151.8	-173.8	79.9	91.4	0	0	0	113.8	M467 S468 K469	D465-M467 VanDerWaalsContact C-N 3.35Å; D465-M467 PolarHBondContact O-N 3.17Å; D465-M467 WeakPolarHBondContact OD1-CA 3.37Å; D465-M467 WeakPolarHBondContact OD1-CB 3.36Å; D465-M467 PolarHBondContact OD1-N 2.97Å; D465-S468 VanDerWaalsContact CG-OG 3.26Å; D465-S468 PolarHBondContact OD1-N 3.47Å; D465-S468 PolarHBondContact OD1-OG 3.12Å; D465-S468 WeakPolarHBondContact OD2-CB 3.37Å; D465-S468 PolarHBondContact OD2-OG 3.46Å; D465-K469 WeakPolarHBondContact O-CG 3.36Å; D465-K469 PolarHBondContact O-N 3.33Å
466	Q	92.9	Very high	91	Very high	78 Å²	78	64.4 Å²	64.4	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-35.4	-177.6	-62.4	-173.8	-6.6	0	0	112.8	S405 D406 F407 K469 I470	S405-Q466 PolarHBondContact O-NE2 2.78Å; D406-Q466 PolarHBondContact O-NE2 2.81Å; F407-Q466 HydrophobicContact CD2-CB 4.12Å; F407-Q466 HydrophobicContact CD2-CG 4.2Å; Q466-K469 PolarHBondContact O-N 2.76Å; Q466-I470 WeakPolarHBondContact O-CG1 3.28Å; Q466-I470 PolarHBondContact O-N 3.12Å
467	M	92	Very high	90.8	Very high	106 Å²	106	62.9 Å²	62.9	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-70.3	-39.8	-176.5	-73.3	-62.5	-65.6	0	0	111.5	D465 I470 R471	D465-M467 VanDerWaalsContact C-N 3.35Å; D465-M467 PolarHBondContact O-N 3.17Å; D465-M467 WeakPolarHBondContact OD1-CA 3.37Å; D465-M467 WeakPolarHBondContact OD1-CB 3.36Å; D465-M467 PolarHBondContact OD1-N 2.97Å; M467-I470 PolarHBondContact O-N 3.5Å; M467-I470 HydrophobicContact SD-CD1 4.44Å; M467-R471 WeakPolarHBondContact O-CB 3.38Å; M467-R471 VanDerWaalsContact O-CG 3.29Å; M467-R471 WeakPolarHBondContact O-CG 3.37Å; M467-R471 PolarHBondContact O-N 3Å
468	S	91.8	Very high	90.2	Very high	39 Å²	39	67.8 Å²	67.8	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-43.4	173.6	-63.6	0	0	0	0	111.1	D465 I470 R471 F472	D465-S468 VanDerWaalsContact CG-OG 3.26Å; D465-S468 PolarHBondContact OD1-N 3.47Å; D465-S468 PolarHBondContact OD1-OG 3.12Å; D465-S468 WeakPolarHBondContact OD2-CB 3.37Å; D465-S468 PolarHBondContact OD2-OG 3.46Å; S468-I470 PolarHBondContact O-N 3.04Å; S468-R471 PolarHBondContact O-N 2.82Å; S468-F472 WeakPolarHBondContact O-CB 2.97Å; S468-F472 PolarHBondContact O-N 2.76Å
469	K	92.5	Very high	89.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.6	-47.3	173.3	-69.4	-179.2	-177.9	93.3	0	112.2	H401 L402 S405 F407 V460 L463 D464 D465 Q466 L473	H401-K469 VanDerWaalsContact NE2-CE 3.32Å; H401-K469 WeakPolarHBondContact NE2-CE 3.37Å; L402-K469 HydrophobicContact CD2-CD 4.31Å; S405-K469 PolarHBondContact OG-NZ 3.31Å; F407-K469 HydrophobicContact CB-CD 4.3Å; F407-K469 HydrophobicContact CD2-CB 3.92Å; F407-K469 HydrophobicContact CD2-CD 3.74Å; F407-K469 HydrophobicContact CD2-CG 4.47Å; F407-K469 HydrophobicContact CE2-CB 3.45Å; F407-K469 VanDerWaalsContact CE2-CB 3.45Å; F407-K469 HydrophobicContact CE2-CD 4.16Å; F407-K469 HydrophobicContact CE2-CG 4.45Å; F407-K469 HydrophobicContact CG-CD 3.98Å; F407-K469 HydrophobicContact CZ-CB 3.93Å; V460-K469 HydrophobicContact CG1-CD 4.46Å; V460-K469 HydrophobicContact CG1-CG 4.41Å; L463-K469 HydrophobicContact CB-CG 3.82Å; L463-K469 HydrophobicContact CD1-CG 4.33Å; L463-K469 WeakPolarHBondContact O-CE 3.46Å; L463-K469 PolarHBondContact O-NZ 3.21Å; D464-K469 PolarHBondContact O-NZ 3.47Å; D465-K469 WeakPolarHBondContact O-CG 3.36Å; D465-K469 PolarHBondContact O-N 3.33Å; Q466-K469 PolarHBondContact O-N 2.76Å; K469-L473 WeakPolarHBondContact O-CB 2.95Å; K469-L473 WeakPolarHBondContact O-CG 3.34Å; K469-L473 PolarHBondContact O-N 2.8Å
470	I	92.9	Very high	88.9	Confident	26 Å²	26	63.1 Å²	63.1	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-49.1	177.2	-67.8	168	0	0	0	111	F407 I411 V412 Q466 M467 S468 K474	F407-I470 HydrophobicContact CE2-CG1 3.73Å; F407-I470 HydrophobicContact CZ-CG1 4.02Å; I411-I470 HydrophobicContact CG2-CD1 3.86Å; I411-I470 HydrophobicContact CG2-CG1 4.24Å; V412-I470 HydrophobicContact CG1-CB 4.43Å; V412-I470 HydrophobicContact CG1-CG1 4.22Å; V412-I470 HydrophobicContact CG1-CG2 4.22Å; Q466-I470 WeakPolarHBondContact O-CG1 3.28Å; Q466-I470 PolarHBondContact O-N 3.12Å; M467-I470 PolarHBondContact O-N 3.5Å; M467-I470 HydrophobicContact SD-CD1 4.44Å; S468-I470 PolarHBondContact O-N 3.04Å; I470-K474 HydrophobicContact CG2-CD 3.95Å; I470-K474 HydrophobicContact CG2-CG 4.46Å; I470-K474 WeakPolarHBondContact O-CB 3.44Å; I470-K474 WeakPolarHBondContact O-CG 3.31Å; I470-K474 PolarHBondContact O-N 3.29Å
471	R	89.7	Confident	87.8	Confident	173 Å²	173	66.1 Å²	66.1	65%	0.653	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-46.3	-178.3	-75.6	174.8	-179.6	-179.7	1.6	111.1	M467 S468 K474 C475	M467-R471 WeakPolarHBondContact O-CB 3.38Å; M467-R471 VanDerWaalsContact O-CG 3.29Å; M467-R471 WeakPolarHBondContact O-CG 3.37Å; M467-R471 PolarHBondContact O-N 3Å; S468-R471 PolarHBondContact O-N 2.82Å; R471-K474 PolarHBondContact O-N 3.1Å; R471-C475 VanDerWaalsContact O-CB 3.23Å; R471-C475 WeakPolarHBondContact O-CB 3.47Å; R471-C475 PolarHBondContact O-N 3.3Å
472	F	91.1	Very high	86.8	Confident	58 Å²	58	65.6 Å²	65.6	25%	0.254	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-53.2	178.3	175.4	-89.5	0	0	0	111	H456 D459 V460 L463 S468 K474 C475 A476	H456-F472 HydrophobicContact CB-CE1 3.88Å; H456-F472 HydrophobicContact CB-CZ 4.28Å; H456-F472 AromaticContact ND1-CZ 3.89Å; D459-F472 HydrophobicContact CB-CD1 4.49Å; D459-F472 HydrophobicContact CB-CE1 3.65Å; D459-F472 HydrophobicContact CB-CE2 3.66Å; D459-F472 HydrophobicContact CB-CZ 3.16Å; D459-F472 WeakPolarHBondContact OD2-CZ 3.45Å; V460-F472 HydrophobicContact CG2-CD1 3.88Å; V460-F472 HydrophobicContact CG2-CE1 3.88Å; L463-F472 HydrophobicContact CD1-CB 3.61Å; L463-F472 HydrophobicContact CD1-CD1 4.33Å; L463-F472 HydrophobicContact CD1-CD2 4.5Å; L463-F472 HydrophobicContact CD1-CG 3.89Å; S468-F472 WeakPolarHBondContact O-CB 2.97Å; S468-F472 PolarHBondContact O-N 2.76Å; F472-K474 PolarHBondContact O-N 2.76Å; F472-C475 WeakPolarHBondContact O-CB 3.21Å; F472-C475 PolarHBondContact O-N 3.32Å; F472-C475 VanDerWaalsContact O-N 3.09Å; F472-A476 HydrophobicContact CE1-CB 4.25Å; F472-A476 HydrophobicContact CZ-CB 4.39Å; F472-A476 WeakPolarHBondContact O-CB 3.13Å; F472-A476 PolarHBondContact O-N 2.72Å
473	L	91	Very high	86.2	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-179.6	-75.2	171.2	0	0	0	111.8	F407 I409 V412 L453 V460 K469 C475 A476 V477	F407-L473 HydrophobicContact CE1-CD1 4.23Å; F407-L473 HydrophobicContact CZ-CD1 4.18Å; I409-L473 HydrophobicContact CD1-CD1 4.02Å; V412-L473 HydrophobicContact CG2-CD1 3.94Å; L453-L473 HydrophobicContact CD2-CD1 4.46Å; L453-L473 HydrophobicContact CD2-CD2 3.76Å; V460-L473 HydrophobicContact CG2-CD1 4.45Å; V460-L473 HydrophobicContact CG2-CD2 3.65Å; V460-L473 HydrophobicContact CG2-CG 4.02Å; K469-L473 WeakPolarHBondContact O-CB 2.95Å; K469-L473 WeakPolarHBondContact O-CG 3.34Å; K469-L473 PolarHBondContact O-N 2.8Å; L473-C475 VanDerWaalsContact C-N 3.33Å; L473-C475 PolarHBondContact O-N 3.15Å; L473-A476 PolarHBondContact O-N 2.81Å; L473-V477 WeakPolarHBondContact O-CB 3.23Å; L473-V477 WeakPolarHBondContact O-CG2 3.25Å; L473-V477 PolarHBondContact O-N 3.26Å
474	K	88.9	Confident	85.7	Confident	129 Å²	129	63.5 Å²	63.5	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-39.9	175.3	-74.6	-178.2	176.1	-178	0	112.4	I470 R471 F472 K478	I470-K474 HydrophobicContact CG2-CD 3.95Å; I470-K474 HydrophobicContact CG2-CG 4.46Å; I470-K474 WeakPolarHBondContact O-CB 3.44Å; I470-K474 WeakPolarHBondContact O-CG 3.31Å; I470-K474 PolarHBondContact O-N 3.29Å; R471-K474 PolarHBondContact O-N 3.1Å; F472-K474 PolarHBondContact O-N 2.76Å; K474-K478 WeakPolarHBondContact O-CB 3.32Å; K474-K478 PolarHBondContact O-N 3.44Å; K474-K478 VanDerWaalsContact O-N 3.16Å
475	C	83.7	Confident	85.5	Confident	65 Å²	65	59.6 Å²	59.6	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-47	177.5	-169.3	0	0	0	0	111.5	R471 F472 L473 V477 K478 N479	R471-C475 VanDerWaalsContact O-CB 3.23Å; R471-C475 WeakPolarHBondContact O-CB 3.47Å; R471-C475 PolarHBondContact O-N 3.3Å; F472-C475 WeakPolarHBondContact O-CB 3.21Å; F472-C475 PolarHBondContact O-N 3.32Å; F472-C475 VanDerWaalsContact O-N 3.09Å; L473-C475 VanDerWaalsContact C-N 3.33Å; L473-C475 PolarHBondContact O-N 3.15Å; C475-V477 PolarHBondContact O-N 3.43Å; C475-K478 PolarHBondContact O-N 2.72Å; C475-N479 WeakPolarHBondContact O-CB 3.03Å; C475-N479 PolarHBondContact O-N 2.95Å; C475-N479 PolarHBondContact O-ND2 3.01Å; C475-N479 PolarHBondContact SG-ND2 2.91Å
476	A	85.4	Confident	85.5	Confident	13 Å²	13	56.1 Å²	56.1	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-46.7	179.3	0	0	0	0	0	112.1	F472 L473 K478 N479 L480	F472-A476 HydrophobicContact CE1-CB 4.25Å; F472-A476 HydrophobicContact CZ-CB 4.39Å; F472-A476 WeakPolarHBondContact O-CB 3.13Å; F472-A476 PolarHBondContact O-N 2.72Å; L473-A476 PolarHBondContact O-N 2.81Å; A476-K478 PolarHBondContact O-N 2.65Å; A476-N479 PolarHBondContact O-N 3Å; A476-L480 PolarHBondContact O-N 2.85Å
477	V	87.3	Confident	85.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-45.2	177.3	-178.1	0	0	0	0	110.7	W416 C424 I425 P426 L452 L473 C475 N479 L480	W416-V477 HydrophobicContact CH2-CG2 4.42Å; W416-V477 HydrophobicContact CZ2-CG2 3.56Å; C424-V477 HydrophobicContact CB-CG1 3.97Å; C424-V477 CarbonylContact O-C 3.56Å; C424-V477 WeakPolarHBondContact O-CG1 3.07Å; I425-V477 HydrophobicContact CB-CG1 4.48Å; I425-V477 HydrophobicContact CG2-CG1 3.3Å; P426-V477 WeakPolarHBondContact CD-O 3.39Å; L452-V477 HydrophobicContact CD1-CB 4.1Å; L452-V477 HydrophobicContact CD1-CG1 3.99Å; L452-V477 HydrophobicContact CD1-CG2 3.59Å; L452-V477 HydrophobicContact CD2-CG2 3.57Å; L452-V477 HydrophobicContact CG-CG2 4.18Å; L473-V477 WeakPolarHBondContact O-CB 3.23Å; L473-V477 WeakPolarHBondContact O-CG2 3.25Å; L473-V477 PolarHBondContact O-N 3.26Å; C475-V477 PolarHBondContact O-N 3.43Å; V477-N479 VanDerWaalsContact C-N 3.31Å; V477-N479 PolarHBondContact O-N 3.37Å; V477-L480 WeakPolarHBondContact O-CB 3.12Å; V477-L480 PolarHBondContact O-N 3.36Å
478	K	81.7	Confident	85.1	Confident	150 Å²	150	55.4 Å²	55.4	65%	0.652	27%	0.269	S	S	*	.	H	α-helix	trans	-66.1	-31	-179.3	-175.3	179.2	176.4	-173.6	0	113.1	C424 P426 K474 C475 A476	C424-K478 WeakPolarHBondContact O-CA 3.48Å; P426-K478 WeakPolarHBondContact CD-O 3.36Å; P426-K478 VanDerWaalsContact CG-O 3.24Å; P426-K478 WeakPolarHBondContact CG-O 3.46Å; K474-K478 WeakPolarHBondContact O-CB 3.32Å; K474-K478 PolarHBondContact O-N 3.44Å; K474-K478 VanDerWaalsContact O-N 3.16Å; C475-K478 PolarHBondContact O-N 2.72Å; A476-K478 PolarHBondContact O-N 2.65Å
479	N	75.1	Confident	84.9	Confident	91 Å²	91	55 Å²	55	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	13.2	-176.8	-64.6	-34.7	0	0	0	113.4	C475 A476 V477 N481	C475-N479 WeakPolarHBondContact O-CB 3.03Å; C475-N479 PolarHBondContact O-N 2.95Å; C475-N479 PolarHBondContact O-ND2 3.01Å; C475-N479 PolarHBondContact SG-ND2 2.91Å; A476-N479 PolarHBondContact O-N 3Å; V477-N479 VanDerWaalsContact C-N 3.31Å; V477-N479 PolarHBondContact O-N 3.37Å; N479-N481 PolarHBondContact O-N 3.49Å
480	L	82.1	Confident	84.8	Confident	11 Å²	11	55 Å²	55	6%	0.058	27%	0.265	C	S	.	.			trans	-71.4	75	179.7	-172.4	65.2	0	0	0	111.1	I425 P426 V429 L452 M455 A476 V477 L486	I425-L480 HydrophobicContact CG2-CD2 4.32Å; P426-L480 WeakPolarHBondContact CG-O 3.41Å; V429-L480 HydrophobicContact CG1-CD2 4.25Å; V429-L480 WeakPolarHBondContact CG2-O 3.31Å; L452-L480 HydrophobicContact CD1-CD2 3.99Å; M455-L480 HydrophobicContact CE-CD1 3.87Å; A476-L480 PolarHBondContact O-N 2.85Å; V477-L480 WeakPolarHBondContact O-CB 3.12Å; V477-L480 PolarHBondContact O-N 3.36Å; L480-L486 HydrophobicContact CD1-CB 4.49Å; L480-L486 HydrophobicContact CD2-CD1 4.11Å; L480-L486 HydrophobicContact CD2-CD2 3.66Å; L480-L486 HydrophobicContact CD2-CG 4.28Å
481	N	70.1	Confident	84.3	Confident	63 Å²	63	56.6 Å²	56.6	34%	0.337	27%	0.273	S	S	.	.			trans	-86.1	-18.5	-173.7	-66.9	-22.8	0	0	0	113.3	S201 P426 N479	S201-N481 PolarHBondContact OG-ND2 3.36Å; P426-N481 WeakPolarHBondContact CG-OD1 3.38Å; N479-N481 PolarHBondContact O-N 3.49Å
482	N	74.1	Confident	83.9	Confident	35 Å²	35	51.6 Å²	51.6	19%	0.187	27%	0.265	C	S	.	.			trans	-100.9	89.6	-179.5	-165.1	-22.3	0	0	0	111.5	K208 D484 I485 L486	K208-N482 PolarHBondContact NZ-OD1 3.07Å; N482-D484 PolarHBondContact O-N 3.36Å; N482-D484 PolarHBondContact OD1-N 3.43Å; N482-D484 VanDerWaalsContact OD1-N 3.1Å; N482-I485 HydrophobicContact CB-CD1 4.04Å; N482-I485 HydrophobicContact CB-CG1 4.29Å; N482-I485 VanDerWaalsContact ND2-CD1 3.27Å; N482-I485 WeakPolarHBondContact ND2-CD1 3.37Å; N482-I485 PolarHBondContact O-N 3.2Å; N482-I485 PolarHBondContact OD1-N 3.04Å; N482-L486 PolarHBondContact O-N 3.16Å
483	A	81.7	Confident	83.3	Confident	11 Å²	11	49.2 Å²	49.2	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-32.6	175.6	0	0	0	0	0	112.5	V429 R432 L486 F487	V429-A483 HydrophobicContact CB-CB 4.42Å; V429-A483 HydrophobicContact CG1-CB 4.24Å; V429-A483 HydrophobicContact CG2-CB 3.93Å; R432-A483 HydrophobicContact CG-CB 4.25Å; A483-L486 PolarHBondContact O-N 3.35Å; A483-F487 WeakPolarHBondContact O-CB 3.5Å; A483-F487 WeakPolarHBondContact O-CD2 3.12Å; A483-F487 PolarHBondContact O-N 3.35Å
484	D	80.8	Confident	82.2	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-71.7	-36.1	-172.2	-55.6	-43.3	0	0	0	112	K208 R432 N482 F487 K488	K208-D484 WeakPolarHBondContact CD-OD2 3.33Å; K208-D484 WeakPolarHBondContact CE-OD2 3.35Å; K208-D484 IonicContact NZ-OD2 3.68Å; K208-D484 PolarHBondContact NZ-OD2 3.04Å; R432-D484 IonicContact NH1-OD1 2.86Å; R432-D484 PolarHBondContact NH1-OD1 3.2Å; R432-D484 VanDerWaalsContact NH1-OD1 3.17Å; R432-D484 IonicContact NH2-OD1 3.34Å; N482-D484 PolarHBondContact O-N 3.36Å; N482-D484 PolarHBondContact OD1-N 3.43Å; N482-D484 VanDerWaalsContact OD1-N 3.1Å; D484-F487 PolarHBondContact O-N 3.32Å; D484-K488 WeakPolarHBondContact O-CB 3.24Å; D484-K488 PolarHBondContact O-N 3.1Å
485	I	82.6	Confident	80.4	Confident	61 Å²	61	52 Å²	52	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-48.9	172.3	-64.7	174.4	0	0	0	109.9	E106 M455 N482 F487 K488 V489	E106-I485 WeakPolarHBondContact OE1-CD1 3.47Å; M455-I485 HydrophobicContact CE-CB 4.43Å; M455-I485 HydrophobicContact CE-CG2 3.61Å; M455-I485 HydrophobicContact SD-CG2 4.23Å; N482-I485 HydrophobicContact CB-CD1 4.04Å; N482-I485 HydrophobicContact CB-CG1 4.29Å; N482-I485 VanDerWaalsContact ND2-CD1 3.27Å; N482-I485 WeakPolarHBondContact ND2-CD1 3.37Å; N482-I485 PolarHBondContact O-N 3.2Å; N482-I485 PolarHBondContact OD1-N 3.04Å; I485-F487 VanDerWaalsContact C-N 3.28Å; I485-F487 PolarHBondContact O-N 3.36Å; I485-K488 WeakPolarHBondContact O-CB 3.43Å; I485-K488 PolarHBondContact O-N 3.31Å; I485-V489 WeakPolarHBondContact O-CG2 3.47Å; I485-V489 PolarHBondContact O-N 3.49Å
486	L	88.6	Confident	78.8	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-44.9	176.9	-179.7	69.5	0	0	0	110.9	V429 I433 F448 A451 L452 M455 L480 N482 A483 V489 S490	V429-L486 HydrophobicContact CG1-CD2 3.66Å; I433-L486 HydrophobicContact CD1-CD2 4.2Å; F448-L486 HydrophobicContact CD1-CD1 4.12Å; F448-L486 HydrophobicContact CD1-CD2 3.48Å; F448-L486 VanDerWaalsContact CD1-CD2 3.48Å; F448-L486 HydrophobicContact CD1-CG 3.56Å; F448-L486 HydrophobicContact CE1-CD2 3.82Å; F448-L486 HydrophobicContact CE1-CG 3.81Å; A451-L486 HydrophobicContact CB-CD1 3.84Å; L452-L486 HydrophobicContact CB-CD1 4.4Å; M455-L486 HydrophobicContact SD-CB 4.23Å; M455-L486 HydrophobicContact SD-CD1 3.79Å; L480-L486 HydrophobicContact CD1-CB 4.49Å; L480-L486 HydrophobicContact CD2-CD1 4.11Å; L480-L486 HydrophobicContact CD2-CD2 3.66Å; L480-L486 HydrophobicContact CD2-CG 4.28Å; N482-L486 PolarHBondContact O-N 3.16Å; A483-L486 PolarHBondContact O-N 3.35Å; L486-V489 PolarHBondContact O-N 3.02Å; L486-S490 VanDerWaalsContact O-CB 3.26Å; L486-S490 WeakPolarHBondContact O-CB 3.43Å; L486-S490 PolarHBondContact O-N 2.88Å
487	F	89.1	Confident	77.1	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-43.4	178.4	-93.2	-111.4	0	0	0	112.2	R242 R432 C436 F448 A483 D484 I485 V489 S490 I491	R242-F487 WeakPolarHBondContact O-CD1 2.83Å; R242-F487 WeakPolarHBondContact O-CE1 3.4Å; R432-F487 HydrophobicContact CB-CE2 3.44Å; R432-F487 VanDerWaalsContact CB-CE2 3.44Å; R432-F487 HydrophobicContact CB-CZ 3.54Å; R432-F487 HydrophobicContact CG-CE2 4.46Å; R432-F487 WeakPolarHBondContact O-CZ 3.49Å; C436-F487 VanDerWaalsContact SG-CE1 3.53Å; F448-F487 AromaticContact CE1-CD2 3.56Å; F448-F487 HydrophobicContact CE1-CD2 3.56Å; F448-F487 AromaticContact CE1-CE2 3.54Å; F448-F487 HydrophobicContact CE1-CE2 3.54Å; F448-F487 HydrophobicContact CE1-CG 4.14Å; F448-F487 HydrophobicContact CE1-CZ 4.1Å; F448-F487 HydrophobicContact CE2-CE2 4.39Å; F448-F487 HydrophobicContact CE2-CZ 4.21Å; F448-F487 HydrophobicContact CZ-CD1 4.11Å; F448-F487 AromaticContact CZ-CD2 3.67Å; F448-F487 HydrophobicContact CZ-CD2 3.67Å; F448-F487 AromaticContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE1 3.8Å; F448-F487 AromaticContact CZ-CE2 3.33Å; F448-F487 HydrophobicContact CZ-CE2 3.33Å; F448-F487 HydrophobicContact CZ-CG 4.06Å; F448-F487 AromaticContact CZ-CZ 3.39Å; F448-F487 HydrophobicContact CZ-CZ 3.39Å; A483-F487 WeakPolarHBondContact O-CB 3.5Å; A483-F487 WeakPolarHBondContact O-CD2 3.12Å; A483-F487 PolarHBondContact O-N 3.35Å; D484-F487 PolarHBondContact O-N 3.32Å; I485-F487 VanDerWaalsContact C-N 3.28Å; I485-F487 PolarHBondContact O-N 3.36Å; F487-V489 VanDerWaalsContact C-N 3.34Å; F487-V489 PolarHBondContact O-N 2.96Å; F487-S490 WeakPolarHBondContact CA-OG 3.23Å; F487-S490 PolarHBondContact O-N 3.33Å; F487-S490 PolarHBondContact O-OG 2.87Å; F487-I491 WeakPolarHBondContact O-CB 3.32Å; F487-I491 VanDerWaalsContact O-CG1 3.26Å; F487-I491 WeakPolarHBondContact O-CG1 3.45Å; F487-I491 PolarHBondContact O-N 3.36Å
488	K	87.1	Confident	75.3	Confident	163 Å²	163	56.8 Å²	56.8	71%	0.709	28%	0.283	S	S	*	.	H	α-helix	trans	-57.8	-46.1	177	-174.6	179.9	178.6	-176.8	0	111.4	D484 I485 I491 S492	D484-K488 WeakPolarHBondContact O-CB 3.24Å; D484-K488 PolarHBondContact O-N 3.1Å; I485-K488 WeakPolarHBondContact O-CB 3.43Å; I485-K488 PolarHBondContact O-N 3.31Å; K488-I491 PolarHBondContact O-N 3.31Å; K488-S492 PolarHBondContact O-N 2.89Å
489	V	88.4	Confident	73.1	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-39.6	175.8	-180	0	0	0	0	111	A451 V454 M455 I485 L486 F487 I491 S492 I493	A451-V489 HydrophobicContact CB-CB 4.21Å; A451-V489 HydrophobicContact CB-CG1 3.91Å; V454-V489 HydrophobicContact CB-CG1 4.31Å; V454-V489 HydrophobicContact CG1-CG1 4.06Å; M455-V489 HydrophobicContact CG-CB 4.16Å; M455-V489 HydrophobicContact CG-CG1 4.18Å; M455-V489 HydrophobicContact CG-CG2 3.76Å; M455-V489 HydrophobicContact SD-CB 4.45Å; M455-V489 HydrophobicContact SD-CG2 4.28Å; I485-V489 WeakPolarHBondContact O-CG2 3.47Å; I485-V489 PolarHBondContact O-N 3.49Å; L486-V489 PolarHBondContact O-N 3.02Å; F487-V489 VanDerWaalsContact C-N 3.34Å; F487-V489 PolarHBondContact O-N 2.96Å; V489-I491 VanDerWaalsContact C-N 3.29Å; V489-I491 PolarHBondContact O-N 3.43Å; V489-S492 PolarHBondContact O-N 2.94Å; V489-S492 PolarHBondContact O-OG 3.06Å; V489-I493 HydrophobicContact CG1-CD1 4.06Å; V489-I493 VanDerWaalsContact O-CG1 3.29Å; V489-I493 WeakPolarHBondContact O-CG1 3.37Å; V489-I493 PolarHBondContact O-N 2.91Å; V489-I493 VanDerWaalsContact O-N 3.13Å
490	S	89.6	Confident	71.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-37.7	177.4	86.4	0	0	0	0	112.3	R447 L486 F487 I493 D494	R447-S490 VanDerWaalsContact CD-O 3.25Å; R447-S490 WeakPolarHBondContact CD-O 3.4Å; R447-S490 VanDerWaalsContact CG-O 3.29Å; R447-S490 WeakPolarHBondContact CG-O 3.39Å; L486-S490 VanDerWaalsContact O-CB 3.26Å; L486-S490 WeakPolarHBondContact O-CB 3.43Å; L486-S490 PolarHBondContact O-N 2.88Å; F487-S490 WeakPolarHBondContact CA-OG 3.23Å; F487-S490 PolarHBondContact O-N 3.33Å; F487-S490 PolarHBondContact O-OG 2.87Å; S490-I493 WeakPolarHBondContact O-CB 3.41Å; S490-I493 PolarHBondContact O-N 3.14Å; S490-D494 PolarHBondContact O-N 3.21Å
491	I	82.7	Confident	69.3	Low	59 Å²	59	50.5 Å²	50.5	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-73.3	-37.7	-179.5	-69.6	164.8	0	0	0	111	F487 K488 V489 I493 D494 Q495	F487-I491 WeakPolarHBondContact O-CB 3.32Å; F487-I491 VanDerWaalsContact O-CG1 3.26Å; F487-I491 WeakPolarHBondContact O-CG1 3.45Å; F487-I491 PolarHBondContact O-N 3.36Å; K488-I491 PolarHBondContact O-N 3.31Å; V489-I491 VanDerWaalsContact C-N 3.29Å; V489-I491 PolarHBondContact O-N 3.43Å; I491-I493 PolarHBondContact O-N 2.79Å; I491-D494 WeakPolarHBondContact O-CB 3.43Å; I491-D494 PolarHBondContact O-N 2.93Å; I491-Q495 PolarHBondContact O-N 3.13Å
492	S	80.3	Confident	67.6	Low	68 Å²	68	48.8 Å²	48.8	48%	0.476	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-31.3	174.7	69.2	0	0	0	0	111.7	K488 V489	K488-S492 PolarHBondContact O-N 2.89Å; V489-S492 PolarHBondContact O-N 2.94Å; V489-S492 PolarHBondContact O-OG 3.06Å
493	I	78.9	Confident	65.7	Low	8 Å²	8	51.6 Å²	51.6	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-68.2	-49.3	171.2	-69	170	0	0	0	110.6	R447 T450 A451 V454 V489 S490 I491 Q495 Q496 F497	R447-I493 HydrophobicContact CG-CG2 4.36Å; T450-I493 HydrophobicContact CG2-CD1 3.9Å; A451-I493 VanDerWaalsContact CA-CD1 3.44Å; A451-I493 HydrophobicContact CB-CD1 3.84Å; V454-I493 HydrophobicContact CG2-CD1 4.33Å; V489-I493 HydrophobicContact CG1-CD1 4.06Å; V489-I493 VanDerWaalsContact O-CG1 3.29Å; V489-I493 WeakPolarHBondContact O-CG1 3.37Å; V489-I493 PolarHBondContact O-N 2.91Å; V489-I493 VanDerWaalsContact O-N 3.13Å; S490-I493 WeakPolarHBondContact O-CB 3.41Å; S490-I493 PolarHBondContact O-N 3.14Å; I491-I493 PolarHBondContact O-N 2.79Å; I493-Q495 VanDerWaalsContact C-N 3.26Å; I493-Q495 PolarHBondContact O-N 2.98Å; I493-Q495 VanDerWaalsContact O-N 3.16Å; I493-Q496 PolarHBondContact O-N 3.06Å; I493-F497 HydrophobicContact CB-CD2 4.44Å; I493-F497 HydrophobicContact CG2-CB 4.37Å; I493-F497 HydrophobicContact CG2-CD2 3.09Å; I493-F497 HydrophobicContact CG2-CE2 3.11Å; I493-F497 HydrophobicContact CG2-CG 3.87Å; I493-F497 HydrophobicContact CG2-CZ 3.9Å; I493-F497 WeakPolarHBondContact O-CB 3.44Å; I493-F497 PolarHBondContact O-N 3.46Å
494	D	67.3	Low	63.8	Low	28 Å²	28	52.3 Å²	52.3	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-49.4	-41.3	-176.5	-160.3	52.8	0	0	0	113.8	R242 R447 S490 I491 Q496 F497 F498	R242-D494 IonicContact CZ-OD2 3.47Å; R242-D494 IonicContact NH1-OD2 2.76Å; R242-D494 PolarHBondContact NH1-OD2 3.14Å; R242-D494 IonicContact NH2-OD1 3.26Å; R242-D494 IonicContact NH2-OD2 2.82Å; R242-D494 PolarHBondContact NH2-OD2 3.47Å; R447-D494 WeakPolarHBondContact CD-OD1 2.96Å; R447-D494 IonicContact CZ-OD1 3.17Å; R447-D494 IonicContact NH1-OD1 3.83Å; R447-D494 PolarHBondContact NH1-OD1 3.15Å; R447-D494 IonicContact NH1-OD2 3.68Å; S490-D494 PolarHBondContact O-N 3.21Å; I491-D494 WeakPolarHBondContact O-CB 3.43Å; I491-D494 PolarHBondContact O-N 2.93Å; D494-Q496 PolarHBondContact O-N 3.45Å; D494-F497 PolarHBondContact O-N 2.74Å; D494-F498 WeakPolarHBondContact OD1-CE2 3.47Å
495	Q	52.5	Low	61.7	Low	162 Å²	162	53.5 Å²	53.5	76%	0.757	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.8	-176.2	-70.1	-178.5	-7.7	0	0	113.5	I491 I493	I491-Q495 PolarHBondContact O-N 3.13Å; I493-Q495 VanDerWaalsContact C-N 3.26Å; I493-Q495 PolarHBondContact O-N 2.98Å; I493-Q495 VanDerWaalsContact O-N 3.16Å
496	Q	49.9	Very low	59.4	Low	127 Å²	127	55.8 Å²	55.8	59%	0.593	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-2.3	-175	-57.1	-179.9	-1.8	0	0	113.5	I493 D494	I493-Q496 PolarHBondContact O-N 3.06Å; D494-Q496 PolarHBondContact O-N 3.45Å
497	F	49.1	Very low	57.1	Low	3 Å²	3	57.8 Å²	57.8	1%	0.013	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-17.2	-153.3	-143	-98.8	0	0	0	116.6	I390 K394 T450 I493 D494 W500	I390-F497 HydrophobicContact CB-CE1 4.45Å; I390-F497 HydrophobicContact CB-CE2 4.45Å; I390-F497 HydrophobicContact CB-CZ 3.9Å; I390-F497 HydrophobicContact CD1-CD1 4.44Å; I390-F497 HydrophobicContact CD1-CE1 3.3Å; I390-F497 HydrophobicContact CD1-CZ 3.51Å; I390-F497 HydrophobicContact CG1-CE1 3.59Å; I390-F497 HydrophobicContact CG1-CE2 4.32Å; I390-F497 HydrophobicContact CG1-CZ 3.54Å; I390-F497 HydrophobicContact CG2-CE1 4.05Å; I390-F497 HydrophobicContact CG2-CE2 3.47Å; I390-F497 VanDerWaalsContact CG2-CE2 3.47Å; I390-F497 HydrophobicContact CG2-CZ 3.09Å; K394-F497 HydrophobicContact CD-CD2 4.41Å; K394-F497 HydrophobicContact CG-CD2 4.03Å; K394-F497 HydrophobicContact CG-CE2 3.68Å; T450-F497 HydrophobicContact CG2-CE2 4.08Å; T450-F497 HydrophobicContact CG2-CZ 4.24Å; T450-F497 WeakPolarHBondContact OG1-CZ 3.38Å; I493-F497 HydrophobicContact CB-CD2 4.44Å; I493-F497 HydrophobicContact CG2-CB 4.37Å; I493-F497 HydrophobicContact CG2-CD2 3.09Å; I493-F497 HydrophobicContact CG2-CE2 3.11Å; I493-F497 HydrophobicContact CG2-CG 3.87Å; I493-F497 HydrophobicContact CG2-CZ 3.9Å; I493-F497 WeakPolarHBondContact O-CB 3.44Å; I493-F497 PolarHBondContact O-N 3.46Å; D494-F497 PolarHBondContact O-N 2.74Å; F497-W500 PolarHBondContact O-NE1 2.91Å
498	F	49.5	Very low	54.7	Low	50 Å²	50	58.4 Å²	58.4	22%	0.219	29%	0.291	C	S	.	.			trans	-124.8	41.4	-167.4	-61.6	-67.5	0	0	0	113	K443 R447 D494	K443-F498 HydrophobicContact CB-CD1 4.02Å; K443-F498 HydrophobicContact CB-CE1 3.41Å; K443-F498 VanDerWaalsContact CB-CE1 3.41Å; K443-F498 HydrophobicContact CB-CE2 4.2Å; K443-F498 HydrophobicContact CB-CZ 3.53Å; K443-F498 HydrophobicContact CD-CD1 4.37Å; K443-F498 HydrophobicContact CD-CD2 4.16Å; K443-F498 HydrophobicContact CD-CE1 4.38Å; K443-F498 HydrophobicContact CD-CE2 4.14Å; K443-F498 HydrophobicContact CD-CG 4.28Å; K443-F498 HydrophobicContact CD-CZ 4.28Å; K443-F498 HydrophobicContact CG-CE1 4.43Å; K443-F498 HydrophobicContact CG-CE2 4.44Å; K443-F498 HydrophobicContact CG-CZ 4.22Å; K443-F498 WeakPolarHBondContact O-CZ 3.1Å; R447-F498 HydrophobicContact CB-CZ 4.43Å; D494-F498 WeakPolarHBondContact OD1-CE2 3.47Å
499	S	36.6	Very low	52.7	Low	31 Å²	31	52.3 Å²	52.3	22%	0.217	27%	0.266	C	S	.	.			trans	-106.3	31.8	163.3	56.6	0	0	0	0	111.2	H501	S499-H501 PolarHBondContact O-N 2.82Å
500	W	41.6	Very low	50.3	Low	24 Å²	24	56.9 Å²	56.9	9%	0.091	28%	0.283	C	S	.	.			trans	-82.4	96.3	177.6	-70.2	110.3	0	0	0	109.1	F497 I507 N509	F497-W500 PolarHBondContact O-NE1 2.91Å; W500-I507 HydrophobicContact CD2-CG2 3.55Å; W500-I507 HydrophobicContact CE3-CB 4.13Å; W500-I507 HydrophobicContact CE3-CG2 3.01Å; W500-I507 HydrophobicContact CG-CG2 4.22Å; W500-I507 HydrophobicContact CH2-CG2 4.08Å; W500-I507 VanDerWaalsContact CZ3-C 3.45Å; W500-I507 HydrophobicContact CZ3-CB 4.26Å; W500-I507 HydrophobicContact CZ3-CG2 3.31Å; W500-I507 WeakPolarHBondContact CZ3-O 3.46Å; W500-N509 HydrophobicContact CE3-CB 4.32Å; W500-N509 HydrophobicContact CH2-CB 3.65Å; W500-N509 HydrophobicContact CZ2-CB 4.16Å; W500-N509 HydrophobicContact CZ3-CB 3.78Å
501	H	33.9	Very low	48.2	Very low	65 Å²	65	63.5 Å²	63.5	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.8	169.1	-44.6	-57.4	0	0	0	108.1	D37 S499 K503 L508 L513	D37-H501 IonicContact OD2-CE1 3.66Å; D37-H501 PolarHBondContact OD2-CE1 3.38Å; D37-H501 VanDerWaalsContact OD2-CE1 3.26Å; D37-H501 IonicContact OD2-ND1 2.95Å; D37-H501 PolarHBondContact OD2-ND1 2.94Å; S499-H501 PolarHBondContact O-N 2.82Å; H501-K503 PolarHBondContact O-N 3.37Å; H501-L508 PolarHBondContact N-O 3.36Å; H501-L513 HydrophobicContact CB-CD1 3.53Å; H501-L513 HydrophobicContact CB-CD2 4.01Å; H501-L513 HydrophobicContact CB-CG 4.35Å; H501-L513 WeakPolarHBondContact CD2-CD2 3.31Å
502	Y	36.5	Very low	46.5	Very low	27 Å²	27	64.8 Å²	64.8	11%	0.106	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.7	167.6	-82.1	-102.3	0	0	0	108.3	F33 T34 L35 L55 I507	F33-Y502 AromaticContact CD2-CE1 3.95Å; F33-Y502 HydrophobicContact CD2-CE1 3.95Å; F33-Y502 WeakPolarHBondContact CD2-OH 3.28Å; F33-Y502 HydrophobicContact CE2-CE1 4.07Å; F33-Y502 WeakPolarHBondContact CE2-OH 3.1Å; F33-Y502 WeakPolarHBondContact O-CD1 3.45Å; F33-Y502 WeakPolarHBondContact O-CE1 3.3Å; T34-Y502 HydrophobicContact CG2-CD1 4.22Å; T34-Y502 HydrophobicContact CG2-CG 3.99Å; L35-Y502 HydrophobicContact CB-CD2 4.17Å; L35-Y502 HydrophobicContact CB-CE2 3.56Å; L55-Y502 WeakPolarHBondContact CD2-O 3.4Å; Y502-I507 HydrophobicContact CE1-CG1 4.12Å
503	K	33.8	Very low	44.4	Very low	95 Å²	95	62.2 Å²	62.2	41%	0.413	30%	0.3	S	S	.	.			trans	-120.4	94.4	169.1	-172	180	-179.2	176	0	108.2	H501 K506 L508 S516	H501-K503 PolarHBondContact O-N 3.37Å; K503-K506 PolarHBondContact N-O 3.27Å; K503-L508 HydrophobicContact CB-CD1 3.85Å; K503-L508 HydrophobicContact CD-CD1 4.24Å; K503-S516 PolarHBondContact NZ-O 3.47Å
504	G	41.7	Very low	42.9	Very low	25 Å²	25	69.3 Å²	69.3	26%	0.258	33%	0.33	S	S	.	.	S	Bend	trans	69.5	-140.5	-172.7	0	0	0	0	0	112.8	Y51 K506	Y51-G504 VanDerWaalsContact CZ-O 3.27Å; Y51-G504 WeakPolarHBondContact OH-CA 3.44Å; Y51-G504 PolarHBondContact OH-N 3.3Å; Y51-G504 PolarHBondContact OH-O 3.41Å; G504-K506 PolarHBondContact O-N 3.3Å; G504-K506 VanDerWaalsContact O-N 3.12Å
505	D	36.4	Very low	42	Very low	89 Å²	89	75.1 Å²	75.1	48%	0.476	36%	0.361	S	S	.	.	S	Bend	trans	-81.5	21.7	-177.2	-51.1	-43.4	0	0	0	113.1	F32 K48	F32-D505 WeakPolarHBondContact CD1-OD1 3.46Å; F32-D505 WeakPolarHBondContact CE1-OD1 3.34Å; K48-D505 IonicContact NZ-OD2 2.94Å; K48-D505 PolarHBondContact NZ-OD2 3.41Å
506	K	33.2	Very low	41.3	Very low	110 Å²	110	69.7 Å²	69.7	48%	0.478	34%	0.341	S	S	.	.			trans	-129.9	132.7	-175.4	-67.4	-174	-179.4	-180	0	112.8	K503 G504 L508	K503-K506 PolarHBondContact N-O 3.27Å; G504-K506 PolarHBondContact O-N 3.3Å; G504-K506 VanDerWaalsContact O-N 3.12Å; K506-L508 HydrophobicContact CB-CD2 3.91Å; K506-L508 HydrophobicContact CB-CG 3.89Å; K506-L508 HydrophobicContact CD-CD2 4.01Å; K506-L508 PolarHBondContact O-N 3.1Å
507	I	42	Very low	40.6	Very low	43 Å²	43	70.8 Å²	70.8	22%	0.221	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.6	162.7	-62.2	180	0	0	0	105.5	V386 D389 W500 Y502	V386-I507 HydrophobicContact CG2-CD1 4.22Å; D389-I507 HydrophobicContact CB-CD1 4.44Å; D389-I507 WeakPolarHBondContact OD2-CD1 3.42Å; W500-I507 HydrophobicContact CD2-CG2 3.55Å; W500-I507 HydrophobicContact CE3-CB 4.13Å; W500-I507 HydrophobicContact CE3-CG2 3.01Å; W500-I507 HydrophobicContact CG-CG2 4.22Å; W500-I507 HydrophobicContact CH2-CG2 4.08Å; W500-I507 VanDerWaalsContact CZ3-C 3.45Å; W500-I507 HydrophobicContact CZ3-CB 4.26Å; W500-I507 HydrophobicContact CZ3-CG2 3.31Å; W500-I507 WeakPolarHBondContact CZ3-O 3.46Å; Y502-I507 HydrophobicContact CE1-CG1 4.12Å
508	L	38.3	Very low	40.2	Very low	20 Å²	20	74.2 Å²	74.2	11%	0.105	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	-178.9	-63.9	177.2	0	0	0	110.6	H501 K503 K506 Q512 L513	H501-L508 PolarHBondContact N-O 3.36Å; K503-L508 HydrophobicContact CB-CD1 3.85Å; K503-L508 HydrophobicContact CD-CD1 4.24Å; K506-L508 HydrophobicContact CB-CD2 3.91Å; K506-L508 HydrophobicContact CB-CG 3.89Å; K506-L508 HydrophobicContact CD-CD2 4.01Å; K506-L508 PolarHBondContact O-N 3.1Å; L508-Q512 HydrophobicContact CB-CB 4.17Å; L508-Q512 HydrophobicContact CD2-CB 4.03Å; L508-L513 HydrophobicContact CB-CD1 3.54Å; L508-L513 HydrophobicContact CD1-CD1 4.11Å; L508-L513 HydrophobicContact CG-CD1 4.47Å
509	N	44.4	Very low	39.7	Very low	34 Å²	34	75.5 Å²	75.5	18%	0.182	38%	0.375	C	S	.	.			trans	-77.3	169.3	173.6	71.9	27.7	0	0	0	110.4	W500 E511 Q512 L513	W500-N509 HydrophobicContact CE3-CB 4.32Å; W500-N509 HydrophobicContact CH2-CB 3.65Å; W500-N509 HydrophobicContact CZ2-CB 4.16Å; W500-N509 HydrophobicContact CZ3-CB 3.78Å; N509-E511 PolarHBondContact O-N 3.5Å; N509-E511 VanDerWaalsContact O-N 3.12Å; N509-E511 VanDerWaalsContact OD1-N 3.08Å; N509-E511 PolarHBondContact OD1-N 3.05Å; N509-Q512 CarbonylContact O-C 3.59Å; N509-Q512 PolarHBondContact O-N 3.31Å; N509-Q512 VanDerWaalsContact O-N 3.12Å; N509-Q512 WeakPolarHBondContact OD1-CB 3.39Å; N509-Q512 VanDerWaalsContact OD1-CG 3.28Å; N509-Q512 WeakPolarHBondContact OD1-CG 3.43Å; N509-Q512 PolarHBondContact OD1-N 3.01Å; N509-L513 PolarHBondContact O-N 3.12Å
510	K	38.3	Very low	39.8	Very low	126 Å²	126	77.9 Å²	77.9	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-54.1	-33.9	-178	-141.3	174.8	-176	176.9	0	114.5	K514	K510-K514 WeakPolarHBondContact O-CG 3.41Å; K510-K514 PolarHBondContact O-N 2.79Å; K510-K514 VanDerWaalsContact O-N 3.1Å
511	E	45.8	Very low	39.7	Very low	140 Å²	140	81.1 Å²	81.1	65%	0.654	40%	0.4	S	S	*	.	H	α-helix	trans	-77.1	-42.4	179	-67	179.2	160.7	0	0	111.4	N509 L513 K514 L515	N509-E511 PolarHBondContact O-N 3.5Å; N509-E511 VanDerWaalsContact O-N 3.12Å; N509-E511 VanDerWaalsContact OD1-N 3.08Å; N509-E511 PolarHBondContact OD1-N 3.05Å; E511-L513 VanDerWaalsContact C-N 3.25Å; E511-L513 PolarHBondContact O-N 3.46Å; E511-K514 PolarHBondContact O-N 2.83Å; E511-L515 WeakPolarHBondContact O-CB 3.38Å; E511-L515 VanDerWaalsContact O-CG 3.31Å; E511-L515 WeakPolarHBondContact O-CG 3.36Å; E511-L515 PolarHBondContact O-N 3.27Å
512	Q	45.7	Very low	40.1	Very low	85 Å²	85	82.1 Å²	82.1	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-31.6	172.5	-69.3	171.3	-27.9	0	0	111.4	L508 N509 L515 S516	L508-Q512 HydrophobicContact CB-CB 4.17Å; L508-Q512 HydrophobicContact CD2-CB 4.03Å; N509-Q512 CarbonylContact O-C 3.59Å; N509-Q512 PolarHBondContact O-N 3.31Å; N509-Q512 VanDerWaalsContact O-N 3.12Å; N509-Q512 WeakPolarHBondContact OD1-CB 3.39Å; N509-Q512 VanDerWaalsContact OD1-CG 3.28Å; N509-Q512 WeakPolarHBondContact OD1-CG 3.43Å; N509-Q512 PolarHBondContact OD1-N 3.01Å; Q512-L515 PolarHBondContact O-N 3.09Å; Q512-S516 WeakPolarHBondContact O-CB 3.42Å; Q512-S516 PolarHBondContact O-N 2.87Å; Q512-S516 PolarHBondContact O-OG 3.47Å
513	L	37.6	Very low	40.3	Very low	15 Å²	15	85.8 Å²	85.8	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-65.7	-49.6	171.5	-124.5	95.9	0	0	0	111.1	H501 L508 N509 E511 L515 S516 L517	H501-L513 HydrophobicContact CB-CD1 3.53Å; H501-L513 HydrophobicContact CB-CD2 4.01Å; H501-L513 HydrophobicContact CB-CG 4.35Å; H501-L513 WeakPolarHBondContact CD2-CD2 3.31Å; L508-L513 HydrophobicContact CB-CD1 3.54Å; L508-L513 HydrophobicContact CD1-CD1 4.11Å; L508-L513 HydrophobicContact CG-CD1 4.47Å; N509-L513 PolarHBondContact O-N 3.12Å; E511-L513 VanDerWaalsContact C-N 3.25Å; E511-L513 PolarHBondContact O-N 3.46Å; L513-L515 PolarHBondContact O-N 3.44Å; L513-S516 PolarHBondContact O-N 3.45Å; L513-S516 PolarHBondContact O-OG 3.26Å; L513-L517 HydrophobicContact CD2-CD1 4.1Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 WeakPolarHBondContact O-CG 3.25Å; L513-L517 PolarHBondContact O-N 3.4Å
514	K	46.9	Very low	40.8	Very low	156 Å²	156	85.1 Å²	85.1	68%	0.678	43%	0.428	S	S	*	.	H	α-helix	trans	-60.3	-28.8	176.6	-78.6	180	176.5	-171	0	113.7	K510 E511	K510-K514 WeakPolarHBondContact O-CG 3.41Å; K510-K514 PolarHBondContact O-N 2.79Å; K510-K514 VanDerWaalsContact O-N 3.1Å; E511-K514 PolarHBondContact O-N 2.83Å
515	L	47.5	Very low	40.7	Very low	150 Å²	150	89.8 Å²	89.8	79%	0.785	44%	0.441	S	S	*	.	H	α-helix	trans	-88.3	-13.8	176.4	-70.7	165	0	0	0	113.2	E511 Q512 L513	E511-L515 WeakPolarHBondContact O-CB 3.38Å; E511-L515 VanDerWaalsContact O-CG 3.31Å; E511-L515 WeakPolarHBondContact O-CG 3.36Å; E511-L515 PolarHBondContact O-N 3.27Å; Q512-L515 PolarHBondContact O-N 3.09Å; L513-L515 PolarHBondContact O-N 3.44Å
516	S	37.8	Very low	41.1	Very low	49 Å²	49	89.8 Å²	89.8	34%	0.343	44%	0.438	S	S	.	.	H	α-helix	trans	-103.4	-14.3	179.5	78	0	0	0	0	114.1	K503 Q512 L513	K503-S516 PolarHBondContact NZ-O 3.47Å; Q512-S516 WeakPolarHBondContact O-CB 3.42Å; Q512-S516 PolarHBondContact O-N 2.87Å; Q512-S516 PolarHBondContact O-OG 3.47Å; L513-S516 PolarHBondContact O-N 3.45Å; L513-S516 PolarHBondContact O-OG 3.26Å
517	L	35.9	Very low	41.8	Very low	150 Å²	150	88 Å²	88	79%	0.785	43%	0.434	S	S	*	.			trans	-87.8	0	163.1	-69.7	167.2	0	0	0	107	L513	L513-L517 HydrophobicContact CD2-CD1 4.1Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 WeakPolarHBondContact O-CG 3.25Å; L513-L517 PolarHBondContact O-N 3.4Å

Retrieved 517 of 517 residues in 239.7 ms (Link to these results)

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