A0A3Q0KRX7_SCHMA Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB , UniProt , Accession A0A3Q0KRX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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	36.4	Very low	34.2	Very low	228 Å²	228	179.5 Å²	179.5	100%	1.123	83%	0.833	S	S	*	*				0	77.2	0	-172	-168	-82.6	0	0	109.3
2	F	35.8	Very low	34.1	Very low	193 Å²	193	176.3 Å²	176.3	85%	0.846	82%	0.824	S	S	*	*			trans	-164.4	138.2	170.1	-79.8	-79.1	0	0	0	105.3
3	R	36.9	Very low	33.9	Very low	221 Å²	221	180.8 Å²	180.8	83%	0.834	83%	0.829	S	S	*	*			cis	-171.2	136.6	-19.5	-122.2	-172.6	-175.4	-170.6	-0.7	102.3	L5	R3-L5 PolarHBondContact O-N 3.21Å
4	H	35.2	Very low	33.7	Very low	194 Å²	194	179.3 Å²	179.3	90%	0.898	83%	0.829	S	S	*	*			trans	-50.5	128.1	-176.3	-78.9	-73.3	0	0	0	114.3
5	L	37.4	Very low	34	Very low	180 Å²	180	173.4 Å²	173.4	94%	0.942	82%	0.816	S	S	*	*			trans	-103.2	84.5	154.3	-86.3	148.7	0	0	0	107.8	R3	R3-L5 PolarHBondContact O-N 3.21Å
6	S	29.2	Very low	34.6	Very low	81 Å²	81	169.8 Å²	169.8	57%	0.566	82%	0.816	S	S	*	*			trans	-83.1	133.2	150.8	167.2	0	0	0	0	106.1
7	Y	33.4	Very low	34.7	Very low	196 Å²	196	170.4 Å²	170.4	77%	0.769	82%	0.817	S	S	*	*				176.2	131.8	125.3	-97.6	-66.9	0	0	0	113.2
8	F	33.3	Very low	34.7	Very low	169 Å²	169	166.2 Å²	166.2	74%	0.741	81%	0.809	S	S	*	*			trans	75.7	87.8	158.9	-72	-71.9	0	0	0	120.9	K10	F8-K10 PolarHBondContact O-N 3.01Å
9	K	31.1	Very low	34.7	Very low	198 Å²	198	162.2 Å²	162.2	86%	0.861	81%	0.806	S	S	*	*			trans	-54.3	109.8	140.7	-75.3	178.3	174.2	178.8	0	109.6
10	K	34.3	Very low	34.8	Very low	194 Å²	194	160.9 Å²	160.9	84%	0.843	81%	0.807	S	S	*	*			trans	-92.1	95.7	156.9	-91.3	-177.6	176	177.6	0	108.1	F8 I12	F8-K10 PolarHBondContact O-N 3.01Å; K10-I12 PolarHBondContact O-N 3.44Å; K10-I12 VanDerWaalsContact O-N 3.16Å
11	T	32.8	Very low	34.7	Very low	121 Å²	121	164.5 Å²	164.5	74%	0.742	81%	0.811	S	S	*	*			trans	-70.3	102.6	165	-51.6	0	0	0	0	107.5	R13	T11-R13 PolarHBondContact O-N 3.05Å; T11-R13 VanDerWaalsContact O-N 3.11Å
12	I	33.6	Very low	34.7	Very low	141 Å²	141	159.1 Å²	159.1	72%	0.723	79%	0.794	S	S	*	*			trans	-71.4	102.4	170.5	-63.8	172.6	0	0	0	106.6	K10 L14	K10-I12 PolarHBondContact O-N 3.44Å; K10-I12 VanDerWaalsContact O-N 3.16Å; I12-L14 HydrophobicContact CG2-CG 4.33Å; I12-L14 PolarHBondContact O-N 2.92Å
13	R	31.2	Very low	35	Very low	234 Å²	234	156.6 Å²	156.6	88%	0.883	79%	0.789	S	S	*	*			trans	-71.5	102.9	162.7	-89.1	-176.7	173.3	179.6	-2.4	107.3	T11 S15	T11-R13 PolarHBondContact O-N 3.05Å; T11-R13 VanDerWaalsContact O-N 3.11Å; R13-S15 PolarHBondContact O-N 3.41Å
14	L	31.7	Very low	35.7	Very low	160 Å²	160	155.3 Å²	155.3	84%	0.838	79%	0.792	S	S	*	*			trans	-69.8	102.3	162.5	-75.9	159.6	0	0	0	107.4	I12 S16	I12-L14 HydrophobicContact CG2-CG 4.33Å; I12-L14 PolarHBondContact O-N 2.92Å; L14-S16 PolarHBondContact O-N 2.79Å
15	S	37.3	Very low	37	Very low	91 Å²	91	152.4 Å²	152.4	64%	0.636	78%	0.778	S	S	*	*			trans	-69.9	118.7	168.2	52.2	0	0	0	0	109	R13 E17	R13-S15 PolarHBondContact O-N 3.41Å; S15-E17 PolarHBondContact O-N 3.35Å
16	S	43.9	Very low	39.2	Very low	116 Å²	116	148.5 Å²	148.5	81%	0.811	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	30.1	-169	52	0	0	0	0	116.1	L14	L14-S16 PolarHBondContact O-N 2.79Å
17	E	36.2	Very low	42.3	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	-12.8	179.6	-74.8	-174.1	161.1	0	0	115.3	S15	S15-E17 PolarHBondContact O-N 3.35Å
18	S	34.1	Very low	45.3	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	73%	0.732	S	S	*	*	S	Bend	trans	-92	-4.8	177.4	58.6	0	0	0	0	114.5
19	A	35.8	Very low	48.4	Very low	90 Å²	90	141 Å²	141	74%	0.744	73%	0.728	S	S	*	*	S	Bend	trans	-85.9	-9.9	-176.2	0	0	0	0	0	114.9
20	V	35.8	Very low	51.6	Low	136 Å²	136	132.3 Å²	132.3	82%	0.824	69%	0.691	S	S	*	*	S	Bend	trans	-103.9	3.8	-173.8	-171.6	0	0	0	0	113.5
21	R	33.2	Very low	54.5	Low	236 Å²	236	127.2 Å²	127.2	89%	0.891	69%	0.685	S	S	*	*	S	Bend	trans	-105.9	-2	-179.2	-85.6	-170.3	177.1	-160.4	0.7	117.3
22	C	35.9	Very low	57.7	Low	115 Å²	115	125.2 Å²	125.2	78%	0.777	67%	0.67	S	S	*	*			trans	-107.7	100.9	174.5	-82.3	0	0	0	0	110.1
23	L	43.3	Very low	60.7	Low	140 Å²	140	119.2 Å²	119.2	73%	0.733	64%	0.64	S	S	*	*			trans	176.7	9	145.9	-94.9	166.6	0	0	0	114.6	H25	L23-H25 VanDerWaalsContact C-N 3.35Å; L23-H25 PolarHBondContact O-N 3.19Å; L23-H25 VanDerWaalsContact O-N 3.1Å
24	H	50	Low	64	Low	194 Å²	194	108 Å²	108	90%	0.898	60%	0.598	S	S	*	*			trans	-78.4	91.6	159.6	-79.6	73.6	0	0	0	107.9	A26	H24-A26 PolarHBondContact O-N 2.86Å
25	H	64.2	Low	67.2	Low	133 Å²	133	100.4 Å²	100.4	62%	0.616	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-55.3	131.6	162.9	-75.5	5.8	0	0	0	108.3	L23 R27	L23-H25 VanDerWaalsContact C-N 3.35Å; L23-H25 PolarHBondContact O-N 3.19Å; L23-H25 VanDerWaalsContact O-N 3.1Å; H25-R27 PolarHBondContact O-N 2.8Å
26	A	83.6	Confident	70.1	Confident	98 Å²	98	96.2 Å²	96.2	81%	0.81	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-59.1	130.5	174.7	0	0	0	0	0	108.7	H24	H24-A26 PolarHBondContact O-N 2.86Å
27	R	93.9	Very high	72.7	Confident	97 Å²	97	90.7 Å²	90.7	37%	0.366	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-58.4	142.3	176.7	-63.7	-171.2	-67.3	155.3	8.4	110.4	H25 R29 F56 P57 F58 D60	H25-R27 PolarHBondContact O-N 2.8Å; R27-R29 PolarHBondContact O-N 3.31Å; R27-R29 VanDerWaalsContact O-N 3.16Å; R27-F56 WeakPolarHBondContact CD-O 3.29Å; R27-F56 PolarHBondContact NH1-O 3.21Å; R27-F56 VanDerWaalsContact NH1-O 3.12Å; R27-P57 WeakPolarHBondContact CG-O 3.29Å; R27-F58 CarbonylContact C-O 3.58Å; R27-F58 VanDerWaalsContact CA-O 3.25Å; R27-F58 WeakPolarHBondContact CA-O 3.21Å; R27-D60 HydrophobicContact CB-CB 4.03Å; R27-D60 IonicContact CZ-OD1 3.15Å; R27-D60 IonicContact NH1-OD1 3.99Å; R27-D60 IonicContact NH2-OD1 3.19Å; R27-D60 PolarHBondContact NH2-OD1 3.4Å
28	V	96.2	Very high	75.6	Confident	21 Å²	21	82.4 Å²	82.4	13%	0.127	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	116.1	171.6	179.8	0	0	0	0	108	F58 D60 Q374 L375	V28-F58 PolarHBondContact N-O 3.36Å; V28-D60 PolarHBondContact O-N 3.04Å; V28-Q374 HydrophobicContact CG1-CB 3.95Å; V28-Q374 HydrophobicContact CG2-CB 4.31Å; V28-L375 HydrophobicContact CG1-CB 3.99Å; V28-L375 HydrophobicContact CG1-CD1 4.36Å
29	R	97.6	Very high	78.6	Confident	172 Å²	172	78 Å²	78	65%	0.649	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	131.4	177.2	-63.9	-70.3	178.5	164.3	3.8	109.5	R27 D60 N372	R27-R29 PolarHBondContact O-N 3.31Å; R27-R29 VanDerWaalsContact O-N 3.16Å; R29-D60 WeakPolarHBondContact CD-OD2 3.36Å; R29-D60 IonicContact CZ-OD2 2.77Å; R29-D60 IonicContact NE-OD2 3.23Å; R29-D60 IonicContact NH1-OD2 2.88Å; R29-D60 PolarHBondContact NH1-OD2 3.02Å; R29-N372 PolarHBondContact O-ND2 3.41Å
30	V	98.2	Very high	81.6	Confident	15 Å²	15	74.1 Å²	74.1	9%	0.091	39%	0.388	C	S	.	.			trans	-109.9	123.6	174.3	-169.5	0	0	0	0	108.3	N32 V59 D60 V61 R366 L375	V30-N32 WeakPolarHBondContact CG1-O 3.44Å; V30-V59 HydrophobicContact CG2-CG1 3.45Å; V30-V59 VanDerWaalsContact CG2-CG1 3.45Å; V30-D60 PolarHBondContact N-O 3.1Å; V30-V61 HydrophobicContact CB-CB 3.94Å; V30-V61 HydrophobicContact CB-CG2 3.95Å; V30-V61 HydrophobicContact CG1-CG2 4.03Å; V30-V61 HydrophobicContact CG2-CB 3.82Å; V30-V61 HydrophobicContact CG2-CG2 4.18Å; V30-R366 HydrophobicContact CG1-CG 3.5Å; V30-R366 VanDerWaalsContact CG1-CG 3.5Å; V30-L375 HydrophobicContact CG1-CD2 3.98Å; V30-L375 HydrophobicContact CG2-CD1 4Å; V30-L375 HydrophobicContact CG2-CD2 3.78Å; V30-L375 HydrophobicContact CG2-CG 4.46Å
31	A	96.9	Very high	84.5	Confident	87 Å²	87	68.1 Å²	68.1	72%	0.719	35%	0.351	S	S	*	.	S	Bend	trans	-76.2	-39.5	-170.4	0	0	0	0	0	112.3
32	N	98.4	Very high	87.5	Confident	78 Å²	78	56.9 Å²	56.9	42%	0.417	31%	0.308	S	S	.	.	S	Bend	trans	-108.4	148.1	-179.6	-65.3	-65.8	0	0	0	111.4	V30 D370	V30-N32 WeakPolarHBondContact CG1-O 3.44Å; N32-D370 PolarHBondContact N-OD2 3.28Å; N32-D370 PolarHBondContact ND2-OD1 2.94Å
33	P	98.4	Very high	90.3	Very high	15 Å²	15	51.4 Å²	51.4	10%	0.097	27%	0.271	C	S	.	.			trans	-71	166.1	-177.6	31	-37.9	0	0	0	112.8	D62 K64 Y91 R366	P33-D62 CarbonylContact C-O 3.56Å; P33-D62 WeakPolarHBondContact CA-O 3.48Å; P33-D62 HydrophobicContact CB-CB 4Å; P33-D62 WeakPolarHBondContact CB-O 3.38Å; P33-K64 HydrophobicContact CB-CG 4.18Å; P33-Y91 HydrophobicContact CB-CD1 4.44Å; P33-Y91 HydrophobicContact CG-CD1 3.25Å; P33-Y91 HydrophobicContact CG-CE1 3.53Å; P33-Y91 HydrophobicContact CG-CG 3.85Å; P33-R366 PolarHBondContact O-NE 3.03Å
34	V	98.7	Very high	92.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.7	164.2	-58	0	0	0	0	109.3	V61 D62 C63 K64 V93 I95 W359 L363 R366	V34-V61 HydrophobicContact CG1-CG2 4.21Å; V34-V61 HydrophobicContact CG2-CG2 3.84Å; V34-D62 PolarHBondContact N-O 3Å; V34-C63 CarbonylContact O-C 3.6Å; V34-C63 WeakPolarHBondContact O-CA 3.49Å; V34-K64 PolarHBondContact O-N 3.04Å; V34-V93 HydrophobicContact CB-CB 4.4Å; V34-V93 HydrophobicContact CB-CG1 4.01Å; V34-V93 HydrophobicContact CG1-CB 4.07Å; V34-V93 HydrophobicContact CG1-CG1 3.68Å; V34-I95 HydrophobicContact CB-CD1 4.33Å; V34-I95 HydrophobicContact CG2-CD1 4.12Å; V34-W359 HydrophobicContact CG2-CZ3 4.42Å; V34-L363 HydrophobicContact CG1-CD2 4.28Å; V34-R366 HydrophobicContact CG1-CB 4.03Å; V34-R366 HydrophobicContact CG1-CG 3.96Å
35	V	98.8	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.4	175.7	-164.6	0	0	0	0	108.7	L37 K64 F66 A87 I88 Y91 V93 I95	V35-L37 HydrophobicContact CB-CD1 3.85Å; V35-L37 HydrophobicContact CG1-CD1 3.45Å; V35-L37 VanDerWaalsContact CG1-CD1 3.45Å; V35-L37 WeakPolarHBondContact O-CD1 3.31Å; V35-K64 WeakPolarHBondContact CA-O 3.47Å; V35-K64 HydrophobicContact CG1-CB 4.45Å; V35-K64 WeakPolarHBondContact CG1-O 3.32Å; V35-F66 HydrophobicContact CG1-CD2 3.47Å; V35-F66 VanDerWaalsContact CG1-CD2 3.47Å; V35-F66 HydrophobicContact CG1-CE2 3.59Å; V35-A87 HydrophobicContact CG1-CB 4.01Å; V35-A87 HydrophobicContact CG2-CB 3.99Å; V35-I88 HydrophobicContact CB-CG1 3.94Å; V35-I88 HydrophobicContact CG1-CG1 4.19Å; V35-I88 HydrophobicContact CG2-CG1 4.07Å; V35-Y91 HydrophobicContact CG2-CD2 3.98Å; V35-V93 PolarHBondContact N-O 3.18Å; V35-I95 PolarHBondContact O-N 2.7Å
36	D	98.6	Very high	96.6	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.9	178.1	176.9	18.6	0	0	0	108.8	W47 K51 C63 K64 Y65 F66 W359	D36-W47 PolarHBondContact OD1-NE1 3.33Å; D36-K51 IonicContact OD1-NZ 3.06Å; D36-K51 WeakPolarHBondContact OD2-CD 3.43Å; D36-K51 IonicContact OD2-NZ 4Å; D36-K51 PolarHBondContact OD2-NZ 2.59Å; D36-C63 HydrophobicContact CB-CB 4.02Å; D36-K64 PolarHBondContact N-O 3.29Å; D36-Y65 CarbonylContact O-C 3.52Å; D36-Y65 WeakPolarHBondContact O-CA 3.5Å; D36-F66 PolarHBondContact O-N 2.99Å; D36-W359 HydrophobicContact CB-CH2 4.14Å; D36-W359 HydrophobicContact CB-CZ2 4.4Å
37	L	98.6	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	100.3	-178.4	-71.6	71.2	0	0	0	107.7	V35 F66 L68 A84 I88 I95 K96 C97 I123	V35-L37 HydrophobicContact CB-CD1 3.85Å; V35-L37 HydrophobicContact CG1-CD1 3.45Å; V35-L37 VanDerWaalsContact CG1-CD1 3.45Å; V35-L37 WeakPolarHBondContact O-CD1 3.31Å; L37-F66 WeakPolarHBondContact CA-O 3.39Å; L37-L68 HydrophobicContact CB-CD1 3.97Å; L37-L68 HydrophobicContact CB-CG 4.29Å; L37-L68 HydrophobicContact CD2-CD1 3.66Å; L37-L68 HydrophobicContact CG-CD1 4.03Å; L37-A84 HydrophobicContact CD2-CB 4.12Å; L37-A84 HydrophobicContact CG-CB 4.12Å; L37-I88 HydrophobicContact CD1-CD1 3.91Å; L37-I88 HydrophobicContact CD1-CG1 4.2Å; L37-I88 HydrophobicContact CD2-CD1 3.81Å; L37-I95 PolarHBondContact N-O 2.81Å; L37-K96 HydrophobicContact CB-CB 4Å; L37-K96 HydrophobicContact CB-CG 3.9Å; L37-K96 HydrophobicContact CD2-CB 4.22Å; L37-K96 HydrophobicContact CD2-CD 4.1Å; L37-K96 HydrophobicContact CD2-CG 4.1Å; L37-C97 WeakPolarHBondContact O-CB 3.5Å; L37-C97 PolarHBondContact O-N 3.28Å; L37-I123 HydrophobicContact CD2-CD1 3.52Å
38	D	97.9	Very high	97.4	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	166.7	177.5	-147.9	-16.2	0	0	0	111.5	H44 Y65 F66 L68	D38-H44 IonicContact OD1-CE1 2.81Å; D38-H44 IonicContact OD1-CG 2.73Å; D38-H44 IonicContact OD1-ND1 3.82Å; D38-H44 PolarHBondContact OD1-ND1 3.42Å; D38-H44 IonicContact OD2-CE1 3.81Å; D38-H44 PolarHBondContact OD2-CE1 3Å; D38-H44 VanDerWaalsContact OD2-CE1 3.23Å; D38-H44 IonicContact OD2-ND1 3.89Å; D38-H44 PolarHBondContact OD2-ND1 3.37Å; D38-H44 VanDerWaalsContact OD2-ND1 3.15Å; D38-Y65 HydrophobicContact CB-CE2 3.6Å; D38-Y65 WeakPolarHBondContact CB-OH 3.31Å; D38-Y65 WeakPolarHBondContact OD2-CE2 3.34Å; D38-Y65 PolarHBondContact OD2-OH 3.43Å; D38-F66 PolarHBondContact N-O 2.95Å; D38-L68 WeakPolarHBondContact O-CA 3.28Å; D38-L68 VanDerWaalsContact O-CB 3.24Å; D38-L68 WeakPolarHBondContact O-CB 3.38Å; D38-L68 PolarHBondContact O-N 3.03Å
39	G	97.1	Very high	97.5	Very high	4 Å²	4	31 Å²	31	4%	0.041	16%	0.161	C	C	.	.			trans	-140.4	-150.7	-170	0	0	0	0	0	114	A98	G39-A98 VanDerWaalsContact CA-O 3.27Å; G39-A98 WeakPolarHBondContact CA-O 3.43Å
40	D	97.8	Very high	97.5	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	13%	0.13	C	C	.	.			trans	-116.8	165.4	-169.9	-69.1	-73.4	0	0	0	113.1	T43 H44 G69 L70 A98 T99 I100 T334	D40-T43 PolarHBondContact O-N 3.39Å; D40-T43 PolarHBondContact O-OG1 2.86Å; D40-H44 PolarHBondContact O-N 3.42Å; D40-H44 VanDerWaalsContact O-N 3.08Å; D40-G69 VanDerWaalsContact OD1-CA 3.28Å; D40-G69 WeakPolarHBondContact OD1-CA 2.92Å; D40-L70 PolarHBondContact OD1-N 3.49Å; D40-A98 PolarHBondContact N-O 2.86Å; D40-T99 WeakPolarHBondContact OD2-CA 3.36Å; D40-I100 HydrophobicContact CB-CD1 3.89Å; D40-I100 HydrophobicContact CB-CG1 3.72Å; D40-I100 PolarHBondContact OD2-N 3.01Å; D40-T334 HydrophobicContact CB-CG2 3.96Å
41	E	96.3	Very high	97.5	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	13%	0.129	C	C	.	.	H	α-helix	trans	49.8	-135.7	165.3	-61	-178.1	146.2	0	0	114.5	T43 H44 I100 R106 T334 T336 Y339	E41-T43 VanDerWaalsContact C-N 3.27Å; E41-T43 PolarHBondContact O-N 3.07Å; E41-H44 PolarHBondContact O-N 3.3Å; E41-I100 HydrophobicContact CG-CD1 3.92Å; E41-R106 IonicContact OE1-CZ 3.63Å; E41-R106 IonicContact OE1-NH1 3.4Å; E41-R106 PolarHBondContact OE1-NH1 2.83Å; E41-R106 VanDerWaalsContact OE1-NH1 3.1Å; E41-R106 IonicContact OE1-NH2 2.76Å; E41-R106 PolarHBondContact OE1-NH2 2.97Å; E41-R106 IonicContact OE2-NH2 3.54Å; E41-T334 VanDerWaalsContact OE2-CB 3.3Å; E41-T334 WeakPolarHBondContact OE2-CB 3.49Å; E41-T334 PolarHBondContact OE2-OG1 2.95Å; E41-T336 VanDerWaalsContact CD-OG1 3.27Å; E41-T336 WeakPolarHBondContact OE1-CG2 3.38Å; E41-T336 PolarHBondContact OE1-OG1 2.95Å; E41-T336 WeakPolarHBondContact OE2-CA 3.48Å; E41-T336 WeakPolarHBondContact OE2-CB 3.43Å; E41-T336 PolarHBondContact OE2-N 3.49Å; E41-T336 PolarHBondContact OE2-OG1 2.97Å; E41-Y339 VanDerWaalsContact CA-CD2 3.48Å; E41-Y339 HydrophobicContact CB-CD1 3.82Å; E41-Y339 HydrophobicContact CB-CD2 4.07Å; E41-Y339 HydrophobicContact CB-CE1 4.45Å; E41-Y339 HydrophobicContact CB-CG 3.6Å; E41-Y339 HydrophobicContact CG-CD1 3.72Å; E41-Y339 HydrophobicContact CG-CE1 4.18Å; E41-Y339 HydrophobicContact CG-CG 4.06Å
42	M	96.3	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-31.5	-172.5	-171.7	68	-151.1	0	0	111.1	H44 I45 I46 T334 V335 H338 H342 T348 T350 T417	M42-H44 VanDerWaalsContact C-N 3.34Å; M42-I45 PolarHBondContact O-N 3.44Å; M42-I45 HydrophobicContact SD-CD1 4.3Å; M42-I46 HydrophobicContact CE-CD1 4.09Å; M42-I46 HydrophobicContact CE-CG1 3.98Å; M42-I46 HydrophobicContact CG-CD1 3.98Å; M42-I46 WeakPolarHBondContact O-CG1 3.47Å; M42-I46 PolarHBondContact O-N 2.92Å; M42-I46 VanDerWaalsContact O-N 3.12Å; M42-T334 PolarHBondContact N-O 3.29Å; M42-V335 HydrophobicContact CB-CB 4.16Å; M42-H338 HydrophobicContact CB-CB 4.32Å; M42-H338 HydrophobicContact CG-CB 3.89Å; M42-H338 HydrophobicContact SD-CB 4.26Å; M42-H342 HydrophobicContact SD-CB 3.97Å; M42-T348 VanDerWaalsContact CE-OG1 3.29Å; M42-T348 WeakPolarHBondContact CE-OG1 3.46Å; M42-T350 HydrophobicContact CG-CG2 4.44Å; M42-T350 WeakPolarHBondContact CG-OG1 3.47Å; M42-T417 HydrophobicContact CE-CG2 4.36Å
43	T	95.4	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-37.2	177.9	41.4	0	0	0	0	112.3	D40 E41 I45 I46 W47 A98 G333 T334 V335	D40-T43 PolarHBondContact O-N 3.39Å; D40-T43 PolarHBondContact O-OG1 2.86Å; E41-T43 VanDerWaalsContact C-N 3.27Å; E41-T43 PolarHBondContact O-N 3.07Å; T43-I45 PolarHBondContact O-N 3.01Å; T43-I46 PolarHBondContact O-N 3.31Å; T43-W47 VanDerWaalsContact O-CB 3.24Å; T43-W47 WeakPolarHBondContact O-CB 3.41Å; T43-W47 PolarHBondContact O-N 3.34Å; T43-A98 HydrophobicContact CG2-CB 3.99Å; T43-G333 WeakPolarHBondContact CG2-O 3.49Å; T43-T334 PolarHBondContact N-O 3.43Å; T43-T334 WeakPolarHBondContact OG1-CA 3.42Å; T43-V335 HydrophobicContact CG2-CG2 4.18Å
44	H	96.7	Very high	97.4	Very high	72 Å²	72	18.1 Å²	18.1	33%	0.333	10%	0.097	S	C	.	.	H	α-helix	trans	-57.9	-47.4	172.7	168.9	66.1	0	0	0	112.4	D38 D40 E41 M42 I46 W47 D48	D38-H44 IonicContact OD1-CE1 2.81Å; D38-H44 IonicContact OD1-CG 2.73Å; D38-H44 IonicContact OD1-ND1 3.82Å; D38-H44 PolarHBondContact OD1-ND1 3.42Å; D38-H44 IonicContact OD2-CE1 3.81Å; D38-H44 PolarHBondContact OD2-CE1 3Å; D38-H44 VanDerWaalsContact OD2-CE1 3.23Å; D38-H44 IonicContact OD2-ND1 3.89Å; D38-H44 PolarHBondContact OD2-ND1 3.37Å; D38-H44 VanDerWaalsContact OD2-ND1 3.15Å; D40-H44 PolarHBondContact O-N 3.42Å; D40-H44 VanDerWaalsContact O-N 3.08Å; E41-H44 PolarHBondContact O-N 3.3Å; M42-H44 VanDerWaalsContact C-N 3.34Å; H44-I46 VanDerWaalsContact C-N 3.31Å; H44-I46 PolarHBondContact O-N 3Å; H44-W47 WeakPolarHBondContact O-CB 3.35Å; H44-W47 PolarHBondContact O-N 2.95Å; H44-W47 VanDerWaalsContact O-N 3.15Å; H44-D48 PolarHBondContact O-N 2.96Å
45	I	96.5	Very high	97.4	Very high	34 Å²	34	18.1 Å²	18.1	17%	0.174	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-42.4	179	-63.7	157.8	0	0	0	111.1	M42 T43 K49 Y339 H342 M418	M42-I45 PolarHBondContact O-N 3.44Å; M42-I45 HydrophobicContact SD-CD1 4.3Å; T43-I45 PolarHBondContact O-N 3.01Å; I45-K49 PolarHBondContact O-N 3.03Å; I45-Y339 HydrophobicContact CD1-CD2 3.84Å; I45-Y339 HydrophobicContact CD1-CE2 3.87Å; I45-H342 WeakPolarHBondContact CD1-CD2 3.33Å; I45-H342 WeakPolarHBondContact CD1-NE2 3.31Å; I45-M418 HydrophobicContact CG2-CE 3.91Å
46	I	96.3	Very high	97.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-67	-40.1	177.3	-67.5	167	0	0	0	110.7	M42 T43 H44 K49 I50 T350 P352 T417	M42-I46 HydrophobicContact CE-CD1 4.09Å; M42-I46 HydrophobicContact CE-CG1 3.98Å; M42-I46 HydrophobicContact CG-CD1 3.98Å; M42-I46 WeakPolarHBondContact O-CG1 3.47Å; M42-I46 PolarHBondContact O-N 2.92Å; M42-I46 VanDerWaalsContact O-N 3.12Å; T43-I46 PolarHBondContact O-N 3.31Å; H44-I46 VanDerWaalsContact C-N 3.31Å; H44-I46 PolarHBondContact O-N 3Å; I46-K49 PolarHBondContact O-N 2.72Å; I46-I50 HydrophobicContact CG2-CD1 3.57Å; I46-I50 HydrophobicContact CG2-CG1 4.16Å; I46-I50 WeakPolarHBondContact O-CB 3.11Å; I46-I50 VanDerWaalsContact O-CG1 3.23Å; I46-I50 WeakPolarHBondContact O-CG1 3.33Å; I46-I50 PolarHBondContact O-N 2.96Å; I46-T350 VanDerWaalsContact CD1-CB 3.49Å; I46-T350 HydrophobicContact CD1-CG2 3.4Å; I46-T350 VanDerWaalsContact CD1-CG2 3.4Å; I46-P352 HydrophobicContact CG2-CB 3.63Å; I46-T417 HydrophobicContact CD1-CG2 3.76Å; I46-T417 HydrophobicContact CG1-CG2 3.7Å
47	W	97.7	Very high	97.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-46.9	179.8	-160.8	-108.7	0	0	0	111.9	D36 T43 H44 I50 K51 I95 K96 C97 C355 A358 W359	D36-W47 PolarHBondContact OD1-NE1 3.33Å; T43-W47 VanDerWaalsContact O-CB 3.24Å; T43-W47 WeakPolarHBondContact O-CB 3.41Å; T43-W47 PolarHBondContact O-N 3.34Å; H44-W47 WeakPolarHBondContact O-CB 3.35Å; H44-W47 PolarHBondContact O-N 2.95Å; H44-W47 VanDerWaalsContact O-N 3.15Å; W47-I50 PolarHBondContact O-N 3.01Å; W47-K51 WeakPolarHBondContact O-CG 3.29Å; W47-K51 PolarHBondContact O-N 2.94Å; W47-I95 HydrophobicContact CH2-CG2 3.7Å; W47-I95 HydrophobicContact CZ2-CB 4.45Å; W47-I95 HydrophobicContact CZ2-CG2 3.63Å; W47-K96 VanDerWaalsContact CH2-C 3.47Å; W47-K96 WeakPolarHBondContact CH2-O 3.31Å; W47-C97 HydrophobicContact CB-CB 4.44Å; W47-C97 HydrophobicContact CD2-CB 3.65Å; W47-C97 HydrophobicContact CE3-CB 3.96Å; W47-C97 HydrophobicContact CG-CB 3.88Å; W47-C97 HydrophobicContact CZ2-CB 4.27Å; W47-C97 HydrophobicContact CZ3-CB 4.4Å; W47-C355 HydrophobicContact CE3-CB 3.83Å; W47-C355 HydrophobicContact CZ3-CB 3.82Å; W47-A358 HydrophobicContact CH2-CB 3.84Å; W47-A358 HydrophobicContact CZ3-CB 4.07Å; W47-W359 AromaticContact CD2-NE1 3.57Å; W47-W359 AromaticContact CE2-CE2 3.86Å; W47-W359 AromaticContact CE2-NE1 3.15Å; W47-W359 AromaticContact CE3-NE1 3.93Å; W47-W359 AromaticContact CH2-CD1 3.68Å; W47-W359 AromaticContact CH2-NE1 3.58Å; W47-W359 AromaticContact CZ2-CD1 3.78Å; W47-W359 AromaticContact CZ2-CE2 3.76Å; W47-W359 HydrophobicContact CZ2-CZ2 4.13Å; W47-W359 AromaticContact CZ2-NE1 3.16Å; W47-W359 AromaticContact CZ3-CD1 3.89Å; W47-W359 AromaticContact CZ3-NE1 3.94Å; W47-W359 AromaticContact NE1-CZ2 3.84Å; W47-W359 AromaticContact NE1-NE1 3.66Å
48	D	97.5	Very high	97	Very high	90 Å²	90	26.5 Å²	26.5	48%	0.481	14%	0.14	S	C	.	.	H	α-helix	trans	-63.3	-42.5	175.7	-175.4	61.5	0	0	0	112.3	H44 K51 S52	H44-D48 PolarHBondContact O-N 2.96Å; D48-K51 PolarHBondContact O-N 3.05Å; D48-S52 WeakPolarHBondContact O-CB 3.27Å; D48-S52 PolarHBondContact O-N 2.88Å; D48-S52 PolarHBondContact O-OG 3.11Å
49	K	97.3	Very high	97	Very high	57 Å²	57	26.3 Å²	26.3	25%	0.248	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-45.1	175.8	-173.5	66.2	174.6	177	0	111.9	I45 I46 K51 S52 T53 M418 L421	I45-K49 PolarHBondContact O-N 3.03Å; I46-K49 PolarHBondContact O-N 2.72Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.24Å; K49-S52 WeakPolarHBondContact CA-OG 3.42Å; K49-S52 PolarHBondContact O-N 2.99Å; K49-S52 PolarHBondContact O-OG 3.23Å; K49-S52 VanDerWaalsContact O-OG 3.08Å; K49-T53 HydrophobicContact CD-CG2 3.8Å; K49-T53 HydrophobicContact CG-CG2 4.47Å; K49-T53 PolarHBondContact O-N 3.42Å; K49-T53 PolarHBondContact O-OG1 2.94Å; K49-M418 HydrophobicContact CD-SD 4.29Å; K49-M418 HydrophobicContact CG-SD 3.95Å; K49-L421 HydrophobicContact CB-CD1 4.08Å; K49-L421 HydrophobicContact CG-CD1 3.57Å
50	I	98.2	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-48.5	175.9	-72	164.7	0	0	0	110.3	I46 W47 S52 L54 I55 P352 C355 I356 W359 L421	I46-I50 HydrophobicContact CG2-CD1 3.57Å; I46-I50 HydrophobicContact CG2-CG1 4.16Å; I46-I50 WeakPolarHBondContact O-CB 3.11Å; I46-I50 VanDerWaalsContact O-CG1 3.23Å; I46-I50 WeakPolarHBondContact O-CG1 3.33Å; I46-I50 PolarHBondContact O-N 2.96Å; W47-I50 PolarHBondContact O-N 3.01Å; I50-S52 PolarHBondContact O-N 3.1Å; I50-L54 HydrophobicContact CG1-CD1 4.46Å; I50-L54 HydrophobicContact CG2-CB 4.47Å; I50-L54 WeakPolarHBondContact O-CA 3.35Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 PolarHBondContact O-N 3.48Å; I50-I55 HydrophobicContact CG2-CD1 4.48Å; I50-I55 HydrophobicContact CG2-CG1 4.06Å; I50-I55 PolarHBondContact O-N 2.98Å; I50-P352 HydrophobicContact CD1-CB 4.3Å; I50-C355 HydrophobicContact CD1-CB 3.4Å; I50-I356 HydrophobicContact CD1-CG1 3.67Å; I50-I356 HydrophobicContact CG1-CG1 3.81Å; I50-I356 HydrophobicContact CG2-CG1 4.2Å; I50-W359 HydrophobicContact CG2-CG 4.41Å; I50-L421 HydrophobicContact CG1-CD2 3.91Å
51	K	98	Very high	97.1	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	15%	0.15	C	C	.	.	I	π-helix	trans	-57.2	-50.9	177.8	-80.3	-171.6	-73	-172.6	0	111.8	D36 W47 D48 K49 I55 F56 W359	D36-K51 IonicContact OD1-NZ 3.06Å; D36-K51 WeakPolarHBondContact OD2-CD 3.43Å; D36-K51 IonicContact OD2-NZ 4Å; D36-K51 PolarHBondContact OD2-NZ 2.59Å; W47-K51 WeakPolarHBondContact O-CG 3.29Å; W47-K51 PolarHBondContact O-N 2.94Å; D48-K51 PolarHBondContact O-N 3.05Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.24Å; K51-I55 PolarHBondContact O-N 3.45Å; K51-F56 HydrophobicContact CB-CD2 3.99Å; K51-F56 HydrophobicContact CB-CE2 3.68Å; K51-F56 HydrophobicContact CB-CZ 4.18Å; K51-F56 HydrophobicContact CD-CE2 3.87Å; K51-F56 HydrophobicContact CD-CZ 3.81Å; K51-F56 HydrophobicContact CG-CE2 4.09Å; K51-F56 HydrophobicContact CG-CZ 4.11Å; K51-F56 WeakPolarHBondContact O-CB 3.35Å; K51-F56 WeakPolarHBondContact O-CG 3.05Å; K51-F56 PolarHBondContact O-N 2.93Å; K51-W359 HydrophobicContact CD-CH2 4.09Å; K51-W359 HydrophobicContact CD-CZ2 3.55Å; K51-W359 HydrophobicContact CG-CH2 4.15Å; K51-W359 HydrophobicContact CG-CZ2 3.5Å
52	S	97.2	Very high	97.2	Very high	59 Å²	59	31.9 Å²	31.9	41%	0.413	17%	0.168	S	C	.	.	I	π-helix	trans	-72.4	-26.3	-174.2	57.5	0	0	0	0	114.5	D48 K49 I50 P57	D48-S52 WeakPolarHBondContact O-CB 3.27Å; D48-S52 PolarHBondContact O-N 2.88Å; D48-S52 PolarHBondContact O-OG 3.11Å; K49-S52 WeakPolarHBondContact CA-OG 3.42Å; K49-S52 PolarHBondContact O-N 2.99Å; K49-S52 PolarHBondContact O-OG 3.23Å; K49-S52 VanDerWaalsContact O-OG 3.08Å; I50-S52 PolarHBondContact O-N 3.1Å; S52-P57 WeakPolarHBondContact O-CD 3.48Å; S52-P57 WeakPolarHBondContact O-CG 3.29Å
53	T	96.8	Very high	97.2	Very high	25 Å²	25	33.3 Å²	33.3	15%	0.153	18%	0.178	C	C	.	.	I	π-helix	trans	-110	-31.5	-177.4	64.1	0	0	0	0	115.2	K49	K49-T53 HydrophobicContact CD-CG2 3.8Å; K49-T53 HydrophobicContact CG-CG2 4.47Å; K49-T53 PolarHBondContact O-N 3.42Å; K49-T53 PolarHBondContact O-OG1 2.94Å
54	L	97.7	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-109.9	-27.3	-172.8	-67.2	168.9	0	0	0	113.2	I50 F58 I356 F378 L382 L421 I424 V425 L428	I50-L54 HydrophobicContact CG1-CD1 4.46Å; I50-L54 HydrophobicContact CG2-CB 4.47Å; I50-L54 WeakPolarHBondContact O-CA 3.35Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 PolarHBondContact O-N 3.48Å; L54-F58 WeakPolarHBondContact O-CD2 3.47Å; L54-I356 HydrophobicContact CD1-CD1 3.7Å; L54-I356 HydrophobicContact CD1-CG1 3.95Å; L54-F378 VanDerWaalsContact O-CZ 3.29Å; L54-F378 WeakPolarHBondContact O-CZ 3.45Å; L54-L382 HydrophobicContact CB-CD1 4.35Å; L54-L382 HydrophobicContact CB-CD2 4.3Å; L54-L382 HydrophobicContact CD1-CD1 4.34Å; L54-L382 HydrophobicContact CD2-CD1 3.89Å; L54-L382 HydrophobicContact CG-CD1 4.43Å; L54-L421 HydrophobicContact CD1-CD2 3.9Å; L54-I424 HydrophobicContact CD1-CG2 4.24Å; L54-I424 HydrophobicContact CD2-CG2 3.88Å; L54-V425 HydrophobicContact CD2-CB 4.27Å; L54-V425 HydrophobicContact CD2-CG2 3.44Å; L54-V425 VanDerWaalsContact CD2-CG2 3.44Å; L54-V425 HydrophobicContact CG-CG2 4Å; L54-L428 HydrophobicContact CD2-CD2 4.35Å
55	I	98	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-102	-69.6	-176.5	-50.6	-57.2	0	0	0	111.7	I50 K51 P57 F58 V59 W359 L363 F378 L382	I50-I55 HydrophobicContact CG2-CD1 4.48Å; I50-I55 HydrophobicContact CG2-CG1 4.06Å; I50-I55 PolarHBondContact O-N 2.98Å; K51-I55 PolarHBondContact O-N 3.45Å; I55-P57 VanDerWaalsContact C-CD 3.42Å; I55-F58 PolarHBondContact O-N 3.4Å; I55-V59 HydrophobicContact CG2-CB 4.41Å; I55-V59 PolarHBondContact O-N 2.91Å; I55-W359 HydrophobicContact CD1-CB 3.87Å; I55-W359 HydrophobicContact CD1-CD2 4.45Å; I55-W359 HydrophobicContact CD1-CG 4.17Å; I55-W359 HydrophobicContact CG1-CB 4.35Å; I55-W359 HydrophobicContact CG1-CD2 4.04Å; I55-W359 HydrophobicContact CG1-CE3 4.19Å; I55-W359 HydrophobicContact CG1-CG 4.09Å; I55-W359 HydrophobicContact CG2-CE3 4.08Å; I55-W359 HydrophobicContact CG2-CZ3 4.31Å; I55-L363 HydrophobicContact CD1-CD1 4.29Å; I55-L363 HydrophobicContact CG2-CD1 3.99Å; I55-F378 HydrophobicContact CD1-CE1 4.42Å; I55-F378 HydrophobicContact CD1-CZ 4.37Å; I55-L382 HydrophobicContact CD1-CD2 3.82Å
56	F	96.9	Very high	97.6	Very high	72 Å²	72	38.7 Å²	38.7	32%	0.316	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.1	-170.5	-61	-30.6	0	0	0	116.3	R27 K51 F58 V61	R27-F56 WeakPolarHBondContact CD-O 3.29Å; R27-F56 PolarHBondContact NH1-O 3.21Å; R27-F56 VanDerWaalsContact NH1-O 3.12Å; K51-F56 HydrophobicContact CB-CD2 3.99Å; K51-F56 HydrophobicContact CB-CE2 3.68Å; K51-F56 HydrophobicContact CB-CZ 4.18Å; K51-F56 HydrophobicContact CD-CE2 3.87Å; K51-F56 HydrophobicContact CD-CZ 3.81Å; K51-F56 HydrophobicContact CG-CE2 4.09Å; K51-F56 HydrophobicContact CG-CZ 4.11Å; K51-F56 WeakPolarHBondContact O-CB 3.35Å; K51-F56 WeakPolarHBondContact O-CG 3.05Å; K51-F56 PolarHBondContact O-N 2.93Å; F56-F58 PolarHBondContact O-N 2.91Å; F56-V61 HydrophobicContact CD1-CG1 4.44Å; F56-V61 HydrophobicContact CE1-CG1 4.12Å
57	P	95.9	Very high	97.7	Very high	63 Å²	63	41.1 Å²	41.1	41%	0.409	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.8	169.9	-25.7	37.4	0	0	0	114.1	R27 S52 I55	R27-P57 WeakPolarHBondContact CG-O 3.29Å; S52-P57 WeakPolarHBondContact O-CD 3.48Å; S52-P57 WeakPolarHBondContact O-CG 3.29Å; I55-P57 VanDerWaalsContact C-CD 3.42Å
58	F	96.4	Very high	97.7	Very high	44 Å²	44	41.1 Å²	41.1	19%	0.193	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-24.4	-173.3	-58.4	-83.7	0	0	0	113.3	R27 V28 L54 I55 F56 F378 L428 K429	R27-F58 CarbonylContact C-O 3.58Å; R27-F58 VanDerWaalsContact CA-O 3.25Å; R27-F58 WeakPolarHBondContact CA-O 3.21Å; V28-F58 PolarHBondContact N-O 3.36Å; L54-F58 WeakPolarHBondContact O-CD2 3.47Å; I55-F58 PolarHBondContact O-N 3.4Å; F56-F58 PolarHBondContact O-N 2.91Å; F58-F378 HydrophobicContact CB-CD2 3.9Å; F58-F378 HydrophobicContact CB-CE2 3.39Å; F58-F378 HydrophobicContact CB-CZ 4.12Å; F58-F378 HydrophobicContact CD2-CE2 4.19Å; F58-F378 AromaticContact CG-CE2 3.87Å; F58-F378 HydrophobicContact CG-CE2 3.87Å; F58-L428 HydrophobicContact CD2-CD2 4.06Å; F58-L428 HydrophobicContact CE1-CD2 4.4Å; F58-L428 HydrophobicContact CE2-CD2 3.74Å; F58-L428 HydrophobicContact CZ-CD2 3.93Å; F58-L428 HydrophobicContact CZ-CG 4.48Å; F58-K429 HydrophobicContact CZ-CG 4.47Å
59	V	97.7	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.7	-175.6	-175.1	0	0	0	0	109.4	V30 I55 V61 L375 F378	V30-V59 HydrophobicContact CG2-CG1 3.45Å; V30-V59 VanDerWaalsContact CG2-CG1 3.45Å; I55-V59 HydrophobicContact CG2-CB 4.41Å; I55-V59 PolarHBondContact O-N 2.91Å; V59-V61 HydrophobicContact CG1-CB 3.98Å; V59-V61 HydrophobicContact CG1-CG1 4.03Å; V59-L375 HydrophobicContact CG1-CD1 3.81Å; V59-L375 HydrophobicContact CG2-CD1 4.06Å; V59-F378 HydrophobicContact CG2-CD1 3.47Å; V59-F378 VanDerWaalsContact CG2-CD1 3.47Å; V59-F378 HydrophobicContact CG2-CD2 4.23Å; V59-F378 HydrophobicContact CG2-CE1 3.36Å; V59-F378 HydrophobicContact CG2-CE2 4.14Å; V59-F378 HydrophobicContact CG2-CG 3.92Å; V59-F378 HydrophobicContact CG2-CZ 3.71Å
60	D	98	Very high	97.8	Very high	42 Å²	42	34.3 Å²	34.3	23%	0.225	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	97.8	170.2	-179	58.3	0	0	0	108.5	R27 V28 R29 V30	R27-D60 HydrophobicContact CB-CB 4.03Å; R27-D60 IonicContact CZ-OD1 3.15Å; R27-D60 IonicContact NH1-OD1 3.99Å; R27-D60 IonicContact NH2-OD1 3.19Å; R27-D60 PolarHBondContact NH2-OD1 3.4Å; V28-D60 PolarHBondContact O-N 3.04Å; R29-D60 WeakPolarHBondContact CD-OD2 3.36Å; R29-D60 IonicContact CZ-OD2 2.77Å; R29-D60 IonicContact NE-OD2 3.23Å; R29-D60 IonicContact NH1-OD2 2.88Å; R29-D60 PolarHBondContact NH1-OD2 3.02Å; V30-D60 PolarHBondContact N-O 3.1Å
61	V	98	Very high	97.7	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.103	20%	0.202	C	C	.	.			trans	-128.6	136	-176.2	59.5	0	0	0	0	109.5	V30 V34 F56 V59 C63 L363	V30-V61 HydrophobicContact CB-CB 3.94Å; V30-V61 HydrophobicContact CB-CG2 3.95Å; V30-V61 HydrophobicContact CG1-CG2 4.03Å; V30-V61 HydrophobicContact CG2-CB 3.82Å; V30-V61 HydrophobicContact CG2-CG2 4.18Å; V34-V61 HydrophobicContact CG1-CG2 4.21Å; V34-V61 HydrophobicContact CG2-CG2 3.84Å; F56-V61 HydrophobicContact CD1-CG1 4.44Å; F56-V61 HydrophobicContact CE1-CG1 4.12Å; V59-V61 HydrophobicContact CG1-CB 3.98Å; V59-V61 HydrophobicContact CG1-CG1 4.03Å; V61-C63 PolarHBondContact O-N 3.33Å; V61-L363 HydrophobicContact CG1-CD2 4.48Å; V61-L363 HydrophobicContact CG2-CD2 4.29Å
62	D	98.1	Very high	97.7	Very high	80 Å²	80	38.4 Å²	38.4	43%	0.428	20%	0.204	S	C	.	.			trans	-77.6	112.3	171.7	176.6	12.9	0	0	0	109.3	P33 V34 K64	P33-D62 CarbonylContact C-O 3.56Å; P33-D62 WeakPolarHBondContact CA-O 3.48Å; P33-D62 HydrophobicContact CB-CB 4Å; P33-D62 WeakPolarHBondContact CB-O 3.38Å; V34-D62 PolarHBondContact N-O 3Å; D62-K64 IonicContact OD1-NZ 2.79Å; D62-K64 PolarHBondContact OD1-NZ 2.86Å; D62-K64 WeakPolarHBondContact OD2-CE 3.44Å; D62-K64 IonicContact OD2-NZ 3.71Å; D62-K64 PolarHBondContact OD2-NZ 3.48Å
63	C	98.1	Very high	97.8	Very high	30 Å²	30	35.6 Å²	35.6	20%	0.203	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.3	177.9	-68.9	0	0	0	0	110.5	V34 D36 V61 Y65	V34-C63 CarbonylContact O-C 3.6Å; V34-C63 WeakPolarHBondContact O-CA 3.49Å; D36-C63 HydrophobicContact CB-CB 4.02Å; V61-C63 PolarHBondContact O-N 3.33Å; C63-Y65 PolarHBondContact O-N 2.92Å; C63-Y65 VanDerWaalsContact O-N 3.17Å
64	K	98.7	Very high	97.9	Very high	61 Å²	61	35.4 Å²	35.4	27%	0.265	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	97.2	165.9	-54.9	-52.7	176	-153.8	0	108.3	P33 V34 V35 D36 D62 F66 Y91	P33-K64 HydrophobicContact CB-CG 4.18Å; V34-K64 PolarHBondContact O-N 3.04Å; V35-K64 WeakPolarHBondContact CA-O 3.47Å; V35-K64 HydrophobicContact CG1-CB 4.45Å; V35-K64 WeakPolarHBondContact CG1-O 3.32Å; D36-K64 PolarHBondContact N-O 3.29Å; D62-K64 IonicContact OD1-NZ 2.79Å; D62-K64 PolarHBondContact OD1-NZ 2.86Å; D62-K64 WeakPolarHBondContact OD2-CE 3.44Å; D62-K64 IonicContact OD2-NZ 3.71Å; D62-K64 PolarHBondContact OD2-NZ 3.48Å; K64-F66 HydrophobicContact CB-CE2 4.07Å; K64-F66 WeakPolarHBondContact O-CD2 3.45Å; K64-Y91 HydrophobicContact CB-CE2 4.49Å; K64-Y91 HydrophobicContact CD-CE2 4.44Å; K64-Y91 HydrophobicContact CG-CD2 3.96Å; K64-Y91 HydrophobicContact CG-CE2 3.68Å
65	Y	98.6	Very high	97.9	Very high	115 Å²	115	43.5 Å²	43.5	45%	0.451	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.4	-172.8	179	-96.6	0	0	0	112.5	D36 D38 C63 D67	D36-Y65 CarbonylContact O-C 3.52Å; D36-Y65 WeakPolarHBondContact O-CA 3.5Å; D38-Y65 HydrophobicContact CB-CE2 3.6Å; D38-Y65 WeakPolarHBondContact CB-OH 3.31Å; D38-Y65 WeakPolarHBondContact OD2-CE2 3.34Å; D38-Y65 PolarHBondContact OD2-OH 3.43Å; C63-Y65 PolarHBondContact O-N 2.92Å; C63-Y65 VanDerWaalsContact O-N 3.17Å; Y65-D67 HydrophobicContact CE1-CB 3.94Å
66	F	98.7	Very high	97.9	Very high	43 Å²	43	45.1 Å²	45.1	19%	0.189	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.9	172.8	-67.2	-96.3	0	0	0	109.5	V35 D36 L37 D38 K64 L68 V80 D83 A84 A87	V35-F66 HydrophobicContact CG1-CD2 3.47Å; V35-F66 VanDerWaalsContact CG1-CD2 3.47Å; V35-F66 HydrophobicContact CG1-CE2 3.59Å; D36-F66 PolarHBondContact O-N 2.99Å; L37-F66 WeakPolarHBondContact CA-O 3.39Å; D38-F66 PolarHBondContact N-O 2.95Å; K64-F66 HydrophobicContact CB-CE2 4.07Å; K64-F66 WeakPolarHBondContact O-CD2 3.45Å; F66-L68 HydrophobicContact CB-CD2 4.31Å; F66-L68 PolarHBondContact O-N 2.95Å; F66-V80 HydrophobicContact CB-CG2 4.32Å; F66-V80 HydrophobicContact CD1-CG2 4.11Å; F66-D83 HydrophobicContact CD1-CB 4.42Å; F66-D83 HydrophobicContact CE1-CB 3.85Å; F66-A84 HydrophobicContact CB-CB 3.83Å; F66-A84 HydrophobicContact CD1-CB 3.83Å; F66-A84 HydrophobicContact CD2-CB 4.16Å; F66-A84 HydrophobicContact CE1-CB 4.46Å; F66-A84 HydrophobicContact CG-CB 3.67Å; F66-A87 HydrophobicContact CE2-CB 3.55Å; F66-A87 HydrophobicContact CZ-CB 3.57Å
67	D	98.5	Very high	98	Very high	52 Å²	52	46.5 Å²	46.5	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	102	174.6	174.7	10.4	0	0	0	109.9	Y65 G69 N72	Y65-D67 HydrophobicContact CE1-CB 3.94Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 WeakPolarHBondContact OD1-CA 3.39Å; D67-G69 PolarHBondContact OD1-N 3.35Å; D67-N72 HydrophobicContact CB-CB 4.29Å; D67-N72 PolarHBondContact O-ND2 3.01Å; D67-N72 WeakPolarHBondContact OD2-CB 3.4Å
68	L	98.3	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.			trans	-93.7	17	173.4	-50.3	-168.7	0	0	0	112.7	L37 D38 F66 R73 V80 A84 T99 I123	L37-L68 HydrophobicContact CB-CD1 3.97Å; L37-L68 HydrophobicContact CB-CG 4.29Å; L37-L68 HydrophobicContact CD2-CD1 3.66Å; L37-L68 HydrophobicContact CG-CD1 4.03Å; D38-L68 WeakPolarHBondContact O-CA 3.28Å; D38-L68 VanDerWaalsContact O-CB 3.24Å; D38-L68 WeakPolarHBondContact O-CB 3.38Å; D38-L68 PolarHBondContact O-N 3.03Å; F66-L68 HydrophobicContact CB-CD2 4.31Å; F66-L68 PolarHBondContact O-N 2.95Å; L68-R73 WeakPolarHBondContact O-CD 3.35Å; L68-V80 HydrophobicContact CD2-CB 4.45Å; L68-V80 HydrophobicContact CD2-CG1 3.95Å; L68-V80 HydrophobicContact CD2-CG2 4Å; L68-A84 HydrophobicContact CD2-CB 4.16Å; L68-T99 HydrophobicContact CB-CG2 3.77Å; L68-I123 HydrophobicContact CD1-CD1 3.89Å
69	G	97.6	Very high	98.1	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	23%	0.228	C	C	.	.			trans	-57.5	141.3	168	0	0	0	0	0	111.1	D40 D67 P71 N72 R73	D40-G69 VanDerWaalsContact OD1-CA 3.28Å; D40-G69 WeakPolarHBondContact OD1-CA 2.92Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 WeakPolarHBondContact OD1-CA 3.39Å; D67-G69 PolarHBondContact OD1-N 3.35Å; G69-P71 VanDerWaalsContact C-CD 3.45Å; G69-P71 VanDerWaalsContact C-N 3.35Å; G69-N72 PolarHBondContact O-N 2.87Å; G69-R73 WeakPolarHBondContact O-CG 3.43Å; G69-R73 PolarHBondContact O-N 2.96Å
70	L	97.7	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-41.5	-175.3	-177.6	62.7	0	0	0	113.7	D40 N72 R73 D74 I100 P102 F110 L112	D40-L70 PolarHBondContact OD1-N 3.49Å; L70-N72 PolarHBondContact O-N 3Å; L70-R73 PolarHBondContact O-N 3.09Å; L70-D74 PolarHBondContact O-N 3.15Å; L70-I100 HydrophobicContact CB-CB 4.49Å; L70-I100 HydrophobicContact CD2-CB 4.21Å; L70-I100 HydrophobicContact CD2-CD1 4.23Å; L70-I100 HydrophobicContact CD2-CG2 3.9Å; L70-P102 HydrophobicContact CD1-CB 4.42Å; L70-P102 HydrophobicContact CD1-CG 4.1Å; L70-P102 HydrophobicContact CD2-CB 4.38Å; L70-F110 HydrophobicContact CD2-CB 4.3Å; L70-F110 HydrophobicContact CD2-CD1 4.04Å; L70-F110 HydrophobicContact CD2-CD2 3.72Å; L70-F110 HydrophobicContact CD2-CE1 4.26Å; L70-F110 HydrophobicContact CD2-CE2 3.97Å; L70-F110 HydrophobicContact CD2-CG 3.76Å; L70-F110 HydrophobicContact CD2-CZ 4.23Å; L70-F110 HydrophobicContact CG-CD1 4.48Å; L70-L112 HydrophobicContact CD1-CD1 3.96Å; L70-L112 HydrophobicContact CD1-CD2 4.22Å; L70-L112 HydrophobicContact CD2-CD1 4.06Å; L70-L112 HydrophobicContact CD2-CD2 4.27Å; L70-L112 HydrophobicContact CG-CD1 4.25Å; L70-L112 HydrophobicContact CG-CD2 3.96Å
71	P	97.4	Very high	98.2	Very high	80 Å²	80	44.9 Å²	44.9	52%	0.519	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-41.2	174.9	-24.4	35.4	0	0	0	113.5	G69 R75 F110	G69-P71 VanDerWaalsContact C-CD 3.45Å; G69-P71 VanDerWaalsContact C-N 3.35Å; P71-R75 WeakPolarHBondContact O-CB 3.43Å; P71-R75 PolarHBondContact O-N 2.89Å; P71-F110 HydrophobicContact CG-CD1 4.25Å; P71-F110 HydrophobicContact CG-CE1 4.31Å
72	N	98.4	Very high	98.2	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-73.9	-36.8	-179	-172	53	0	0	0	112.2	D67 G69 L70 R75 T76	D67-N72 HydrophobicContact CB-CB 4.29Å; D67-N72 PolarHBondContact O-ND2 3.01Å; D67-N72 WeakPolarHBondContact OD2-CB 3.4Å; G69-N72 PolarHBondContact O-N 2.87Å; L70-N72 PolarHBondContact O-N 3Å; N72-R75 PolarHBondContact O-N 3.44Å; N72-R75 VanDerWaalsContact OD1-CZ 3.28Å; N72-R75 PolarHBondContact OD1-NE 3.02Å; N72-R75 VanDerWaalsContact OD1-NE 3.12Å; N72-R75 PolarHBondContact OD1-NH2 2.9Å; N72-T76 WeakPolarHBondContact O-CB 3.35Å; N72-T76 WeakPolarHBondContact O-CG2 3.48Å; N72-T76 PolarHBondContact O-N 2.9Å; N72-T76 PolarHBondContact O-OG1 3.06Å
73	R	98.2	Very high	98.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-48	171.1	-69.9	175.2	55.8	-144.9	-3.3	111.5	L68 G69 L70 R75 T76 N77 D78 V80 I100 L117	L68-R73 WeakPolarHBondContact O-CD 3.35Å; G69-R73 WeakPolarHBondContact O-CG 3.43Å; G69-R73 PolarHBondContact O-N 2.96Å; L70-R73 PolarHBondContact O-N 3.09Å; R73-R75 VanDerWaalsContact C-N 3.35Å; R73-R75 PolarHBondContact O-N 2.76Å; R73-T76 PolarHBondContact O-N 3.48Å; R73-T76 PolarHBondContact O-OG1 3.14Å; R73-N77 PolarHBondContact O-N 2.88Å; R73-N77 VanDerWaalsContact O-N 3.11Å; R73-D78 IonicContact CZ-OD1 3.39Å; R73-D78 IonicContact NE-OD1 2.83Å; R73-D78 PolarHBondContact NE-OD1 3.02Å; R73-D78 IonicContact NE-OD2 2.75Å; R73-D78 IonicContact NH2-OD1 3.1Å; R73-D78 PolarHBondContact NH2-OD1 2.87Å; R73-D78 IonicContact NH2-OD2 3.64Å; R73-D78 PolarHBondContact NH2-OD2 2.73Å; R73-D78 PolarHBondContact O-N 3.35Å; R73-V80 HydrophobicContact CG-CG1 3.82Å; R73-I100 PolarHBondContact NH1-O 2.7Å; R73-L117 PolarHBondContact NH2-O 2.92Å
74	D	98.4	Very high	98.3	Very high	22 Å²	22	45 Å²	45	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.6	-174.5	85.3	0	0	0	111.5	L70 T76 N77 L112 K113 W116	L70-D74 PolarHBondContact O-N 3.15Å; D74-T76 VanDerWaalsContact C-N 3.31Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-N77 PolarHBondContact O-N 2.71Å; D74-N77 VanDerWaalsContact O-N 3.14Å; D74-L112 HydrophobicContact CB-CD2 3.97Å; D74-K113 PolarHBondContact O-NZ 3.08Å; D74-K113 PolarHBondContact OD1-N 3.44Å; D74-K113 WeakPolarHBondContact OD2-CE 3.47Å; D74-K113 IonicContact OD2-NZ 3.37Å; D74-W116 PolarHBondContact OD1-NE1 2.77Å
75	R	98.4	Very high	98.3	Very high	170 Å²	170	42 Å²	42	64%	0.642	21%	0.206	S	C	*	.	H	α-helix	trans	-55.5	-43.3	178	-173	-177.7	67.8	81.9	-2.9	112.7	P71 N72 R73 N77 K113	P71-R75 WeakPolarHBondContact O-CB 3.43Å; P71-R75 PolarHBondContact O-N 2.89Å; N72-R75 PolarHBondContact O-N 3.44Å; N72-R75 VanDerWaalsContact OD1-CZ 3.28Å; N72-R75 PolarHBondContact OD1-NE 3.02Å; N72-R75 VanDerWaalsContact OD1-NE 3.12Å; N72-R75 PolarHBondContact OD1-NH2 2.9Å; R73-R75 VanDerWaalsContact C-N 3.35Å; R73-R75 PolarHBondContact O-N 2.76Å; R75-N77 VanDerWaalsContact C-N 3.34Å; R75-K113 PolarHBondContact O-NZ 3.23Å
76	T	98.3	Very high	98.3	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.209	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	6.8	-177.2	59.8	0	0	0	0	114	N72 R73 D74 D78 Q79 V80	N72-T76 WeakPolarHBondContact O-CB 3.35Å; N72-T76 WeakPolarHBondContact O-CG2 3.48Å; N72-T76 PolarHBondContact O-N 2.9Å; N72-T76 PolarHBondContact O-OG1 3.06Å; R73-T76 PolarHBondContact O-N 3.48Å; R73-T76 PolarHBondContact O-OG1 3.14Å; D74-T76 VanDerWaalsContact C-N 3.31Å; D74-T76 PolarHBondContact O-N 2.92Å; T76-D78 PolarHBondContact O-N 2.53Å; T76-Q79 VanDerWaalsContact O-CB 3.24Å; T76-Q79 WeakPolarHBondContact O-CB 3.47Å; T76-Q79 PolarHBondContact O-N 3.24Å; T76-Q79 VanDerWaalsContact O-N 3.13Å; T76-V80 HydrophobicContact CG2-CB 4.44Å; T76-V80 WeakPolarHBondContact OG1-CG1 3.46Å
77	N	97.8	Very high	98.3	Very high	101 Å²	101	39.8 Å²	39.8	54%	0.54	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.3	-171.5	-55.2	-43.6	0	0	0	113.2	R73 D74 R75 Q79 K113 W116	R73-N77 PolarHBondContact O-N 2.88Å; R73-N77 VanDerWaalsContact O-N 3.11Å; D74-N77 PolarHBondContact O-N 2.71Å; D74-N77 VanDerWaalsContact O-N 3.14Å; R75-N77 VanDerWaalsContact C-N 3.34Å; N77-Q79 PolarHBondContact O-N 2.76Å; N77-K113 PolarHBondContact OD1-NZ 2.79Å; N77-W116 HydrophobicContact CB-CH2 3.78Å; N77-W116 HydrophobicContact CB-CZ3 4.45Å; N77-W116 WeakPolarHBondContact O-CZ3 3.22Å
78	D	97.7	Very high	98.3	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	11.1	-176.8	-147.7	21.3	0	0	0	115.1	R73 T76 V80 T81 W116	R73-D78 IonicContact CZ-OD1 3.39Å; R73-D78 IonicContact NE-OD1 2.83Å; R73-D78 PolarHBondContact NE-OD1 3.02Å; R73-D78 IonicContact NE-OD2 2.75Å; R73-D78 IonicContact NH2-OD1 3.1Å; R73-D78 PolarHBondContact NH2-OD1 2.87Å; R73-D78 IonicContact NH2-OD2 3.64Å; R73-D78 PolarHBondContact NH2-OD2 2.73Å; R73-D78 PolarHBondContact O-N 3.35Å; T76-D78 PolarHBondContact O-N 2.53Å; D78-V80 PolarHBondContact O-N 3.22Å; D78-T81 WeakPolarHBondContact O-CB 3.44Å; D78-T81 PolarHBondContact O-N 3.4Å; D78-T81 VanDerWaalsContact O-N 3.14Å; D78-T81 WeakPolarHBondContact OD1-CB 3.4Å; D78-T81 PolarHBondContact OD1-OG1 3Å; D78-W116 HydrophobicContact CB-CD2 4.37Å; D78-W116 HydrophobicContact CB-CE3 3.66Å; D78-W116 HydrophobicContact CB-CZ3 3.87Å
79	Q	98.4	Very high	98.2	Very high	88 Å²	88	42 Å²	42	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-33.9	175.8	-173.5	59.9	47.1	0	0	111.8	T76 N77 T81 I82 D83	T76-Q79 VanDerWaalsContact O-CB 3.24Å; T76-Q79 WeakPolarHBondContact O-CB 3.47Å; T76-Q79 PolarHBondContact O-N 3.24Å; T76-Q79 VanDerWaalsContact O-N 3.13Å; N77-Q79 PolarHBondContact O-N 2.76Å; Q79-T81 PolarHBondContact O-N 3.18Å; Q79-I82 WeakPolarHBondContact O-CB 3.27Å; Q79-I82 PolarHBondContact O-N 2.88Å; Q79-D83 PolarHBondContact NE2-OD1 3.29Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.27Å
80	V	98.6	Very high	98.2	Very high	14 Å²	14	48 Å²	48	9%	0.085	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-34.7	176.8	67.9	0	0	0	0	112.8	F66 L68 R73 T76 D78 A84	F66-V80 HydrophobicContact CB-CG2 4.32Å; F66-V80 HydrophobicContact CD1-CG2 4.11Å; L68-V80 HydrophobicContact CD2-CB 4.45Å; L68-V80 HydrophobicContact CD2-CG1 3.95Å; L68-V80 HydrophobicContact CD2-CG2 4Å; R73-V80 HydrophobicContact CG-CG1 3.82Å; T76-V80 HydrophobicContact CG2-CB 4.44Å; T76-V80 WeakPolarHBondContact OG1-CG1 3.46Å; D78-V80 PolarHBondContact O-N 3.22Å; V80-A84 VanDerWaalsContact O-CB 3.26Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.38Å
81	T	98.5	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-38.2	178	-57.8	0	0	0	0	111.3	D78 Q79 A85 P119 T122 I123	D78-T81 WeakPolarHBondContact O-CB 3.44Å; D78-T81 PolarHBondContact O-N 3.4Å; D78-T81 VanDerWaalsContact O-N 3.14Å; D78-T81 WeakPolarHBondContact OD1-CB 3.4Å; D78-T81 PolarHBondContact OD1-OG1 3Å; Q79-T81 PolarHBondContact O-N 3.18Å; T81-A85 PolarHBondContact O-N 3.43Å; T81-A85 VanDerWaalsContact O-N 3.1Å; T81-P119 HydrophobicContact CG2-CB 4.08Å; T81-T122 HydrophobicContact CG2-CG2 3.72Å; T81-I123 HydrophobicContact CG2-CD1 4.37Å; T81-I123 HydrophobicContact CG2-CG1 4Å
82	I	98.4	Very high	98.3	Very high	57 Å²	57	49.2 Å²	49.2	29%	0.292	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-47.3	175.8	-63.2	171.7	0	0	0	109.7	Q79 A84 A85 H86 T122 I126	Q79-I82 WeakPolarHBondContact O-CB 3.27Å; Q79-I82 PolarHBondContact O-N 2.88Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 2.98Å; I82-A85 PolarHBondContact O-N 3.26Å; I82-H86 PolarHBondContact O-CD2 3.49Å; I82-H86 PolarHBondContact O-N 2.79Å; I82-T122 HydrophobicContact CG1-CG2 4.08Å; I82-I126 HydrophobicContact CB-CD1 4.25Å; I82-I126 HydrophobicContact CG1-CD1 4.23Å; I82-I126 HydrophobicContact CG2-CD1 4.02Å
83	D	98.7	Very high	98.3	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-42.5	178.9	-62.4	-17.3	0	0	0	111.2	F66 Q79 A85 H86 A87	F66-D83 HydrophobicContact CD1-CB 4.42Å; F66-D83 HydrophobicContact CE1-CB 3.85Å; Q79-D83 PolarHBondContact NE2-OD1 3.29Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.27Å; D83-A85 PolarHBondContact O-N 3.16Å; D83-H86 PolarHBondContact O-N 3.3Å; D83-A87 WeakPolarHBondContact O-CB 3.13Å; D83-A87 PolarHBondContact O-N 3.45Å
84	A	98.7	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-44.5	174.6	0	0	0	0	0	111.8	L37 F66 L68 V80 I82 H86 A87 I88	L37-A84 HydrophobicContact CD2-CB 4.12Å; L37-A84 HydrophobicContact CG-CB 4.12Å; F66-A84 HydrophobicContact CB-CB 3.83Å; F66-A84 HydrophobicContact CD1-CB 3.83Å; F66-A84 HydrophobicContact CD2-CB 4.16Å; F66-A84 HydrophobicContact CE1-CB 4.46Å; F66-A84 HydrophobicContact CG-CB 3.67Å; L68-A84 HydrophobicContact CD2-CB 4.16Å; V80-A84 VanDerWaalsContact O-CB 3.26Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.38Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 2.98Å; A84-H86 VanDerWaalsContact C-N 3.35Å; A84-H86 PolarHBondContact O-N 3.24Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.29Å; A84-I88 WeakPolarHBondContact O-CG1 3.4Å; A84-I88 PolarHBondContact O-N 2.8Å
85	A	98.3	Very high	98.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-38.9	177.4	0	0	0	0	0	112.5	T81 I82 D83 I88 K89 I123 I126 L127	T81-A85 PolarHBondContact O-N 3.43Å; T81-A85 VanDerWaalsContact O-N 3.1Å; I82-A85 PolarHBondContact O-N 3.26Å; D83-A85 PolarHBondContact O-N 3.16Å; A85-I88 PolarHBondContact O-N 3.28Å; A85-K89 PolarHBondContact O-N 3.47Å; A85-K89 VanDerWaalsContact O-N 3.1Å; A85-I123 HydrophobicContact CB-CB 4.46Å; A85-I123 HydrophobicContact CB-CG1 4.18Å; A85-I123 HydrophobicContact CB-CG2 4.48Å; A85-I126 HydrophobicContact CB-CB 3.83Å; A85-I126 HydrophobicContact CB-CD1 3.66Å; A85-I126 HydrophobicContact CB-CG1 4.34Å; A85-I126 HydrophobicContact CB-CG2 3.77Å; A85-L127 WeakPolarHBondContact O-CD2 3.47Å
86	H	98.5	Very high	98.4	Very high	102 Å²	102	39.2 Å²	39.2	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-36.6	173.9	-77	-67.7	0	0	0	112.7	I82 D83 A84 I88 K89 Q90	I82-H86 PolarHBondContact O-CD2 3.49Å; I82-H86 PolarHBondContact O-N 2.79Å; D83-H86 PolarHBondContact O-N 3.3Å; A84-H86 VanDerWaalsContact C-N 3.35Å; A84-H86 PolarHBondContact O-N 3.24Å; H86-I88 VanDerWaalsContact C-N 3.31Å; H86-I88 PolarHBondContact O-N 2.97Å; H86-K89 WeakPolarHBondContact O-CB 3.29Å; H86-K89 PolarHBondContact O-N 3.49Å; H86-Q90 PolarHBondContact O-N 3.06Å
87	A	98.7	Very high	98.3	Very high	8 Å²	8	37.6 Å²	37.6	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-40	171.6	0	0	0	0	0	111.1	V35 F66 D83 A84 K89 Q90 Y91	V35-A87 HydrophobicContact CG1-CB 4.01Å; V35-A87 HydrophobicContact CG2-CB 3.99Å; F66-A87 HydrophobicContact CE2-CB 3.55Å; F66-A87 HydrophobicContact CZ-CB 3.57Å; D83-A87 WeakPolarHBondContact O-CB 3.13Å; D83-A87 PolarHBondContact O-N 3.45Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.29Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 3.42Å; A87-Q90 PolarHBondContact O-N 3.06Å; A87-Q90 VanDerWaalsContact O-N 3.16Å; A87-Y91 HydrophobicContact CB-CD2 4.27Å; A87-Y91 HydrophobicContact CB-CE2 4.45Å; A87-Y91 WeakPolarHBondContact O-CD2 3.22Å; A87-Y91 PolarHBondContact O-N 3.27Å
88	I	98.6	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-43.3	174.8	-65.9	168.2	0	0	0	110.4	V35 L37 A84 A85 H86 Q90 Y91 N92 I123 L127 T325 E327	V35-I88 HydrophobicContact CB-CG1 3.94Å; V35-I88 HydrophobicContact CG1-CG1 4.19Å; V35-I88 HydrophobicContact CG2-CG1 4.07Å; L37-I88 HydrophobicContact CD1-CD1 3.91Å; L37-I88 HydrophobicContact CD1-CG1 4.2Å; L37-I88 HydrophobicContact CD2-CD1 3.81Å; A84-I88 WeakPolarHBondContact O-CG1 3.4Å; A84-I88 PolarHBondContact O-N 2.8Å; A85-I88 PolarHBondContact O-N 3.28Å; H86-I88 VanDerWaalsContact C-N 3.31Å; H86-I88 PolarHBondContact O-N 2.97Å; I88-Q90 VanDerWaalsContact C-N 3.3Å; I88-Q90 PolarHBondContact O-N 3.36Å; I88-Y91 PolarHBondContact O-N 3.46Å; I88-N92 WeakPolarHBondContact O-CA 3.24Å; I88-N92 PolarHBondContact O-N 3.4Å; I88-I123 HydrophobicContact CD1-CG2 4.23Å; I88-L127 HydrophobicContact CB-CD1 4.23Å; I88-L127 HydrophobicContact CB-CD2 4.14Å; I88-L127 HydrophobicContact CD1-CD1 4.17Å; I88-L127 HydrophobicContact CG2-CD1 3.68Å; I88-L127 HydrophobicContact CG2-CD2 3.95Å; I88-L127 HydrophobicContact CG2-CG 4.49Å; I88-T325 HydrophobicContact CG2-CG2 3.72Å; I88-E327 HydrophobicContact CD1-CB 4.35Å; I88-E327 HydrophobicContact CD1-CG 4.04Å
89	K	97.3	Very high	98.2	Very high	99 Å²	99	33.3 Å²	33.3	43%	0.43	16%	0.161	S	C	.	.	H	α-helix	trans	-60.1	-40.3	173.7	-70.5	-166.7	170.2	-178.5	0	112.9	A85 H86 A87 I126 L127	A85-K89 PolarHBondContact O-N 3.47Å; A85-K89 VanDerWaalsContact O-N 3.1Å; H86-K89 WeakPolarHBondContact O-CB 3.29Å; H86-K89 PolarHBondContact O-N 3.49Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 3.42Å; K89-I126 HydrophobicContact CD-CG2 4.4Å; K89-I126 WeakPolarHBondContact CE-O 3.42Å; K89-I126 PolarHBondContact NZ-O 3.48Å; K89-L127 HydrophobicContact CD-CD2 4.36Å; K89-L127 HydrophobicContact CG-CD2 3.42Å; K89-L127 VanDerWaalsContact CG-CD2 3.42Å
90	Q	98.1	Very high	98.1	Very high	130 Å²	130	29.5 Å²	29.5	61%	0.607	14%	0.144	S	C	*	.	H	α-helix	trans	-68.7	-43.9	-179.2	-179	177.9	-10.9	0	0	111.9	H86 A87 I88	H86-Q90 PolarHBondContact O-N 3.06Å; A87-Q90 PolarHBondContact O-N 3.06Å; A87-Q90 VanDerWaalsContact O-N 3.16Å; I88-Q90 VanDerWaalsContact C-N 3.3Å; I88-Q90 PolarHBondContact O-N 3.36Å
91	Y	98.4	Very high	97.9	Very high	61 Å²	61	32.4 Å²	32.4	24%	0.239	16%	0.162	C	C	.	.	H	α-helix	trans	-103.3	4.8	-173.2	-58.2	-64.2	0	0	0	113.6	P33 V35 K64 A87 I88 V93 R366	P33-Y91 HydrophobicContact CB-CD1 4.44Å; P33-Y91 HydrophobicContact CG-CD1 3.25Å; P33-Y91 HydrophobicContact CG-CE1 3.53Å; P33-Y91 HydrophobicContact CG-CG 3.85Å; V35-Y91 HydrophobicContact CG2-CD2 3.98Å; K64-Y91 HydrophobicContact CB-CE2 4.49Å; K64-Y91 HydrophobicContact CD-CE2 4.44Å; K64-Y91 HydrophobicContact CG-CD2 3.96Å; K64-Y91 HydrophobicContact CG-CE2 3.68Å; A87-Y91 HydrophobicContact CB-CD2 4.27Å; A87-Y91 HydrophobicContact CB-CE2 4.45Å; A87-Y91 WeakPolarHBondContact O-CD2 3.22Å; A87-Y91 PolarHBondContact O-N 3.27Å; I88-Y91 PolarHBondContact O-N 3.46Å; Y91-V93 PolarHBondContact O-N 2.66Å; Y91-R366 PolarHBondContact O-NH2 2.73Å
92	N	98.3	Very high	97.7	Very high	45 Å²	45	32.7 Å²	32.7	24%	0.241	16%	0.164	C	C	.	.	S	Bend	trans	59.3	-7.8	175.6	-52.9	-93	0	0	0	116.9	I88 T325 I326 L369	I88-N92 WeakPolarHBondContact O-CA 3.24Å; I88-N92 PolarHBondContact O-N 3.4Å; N92-T325 CarbonylContact O-C 3.57Å; N92-T325 VanDerWaalsContact O-CA 3.26Å; N92-T325 WeakPolarHBondContact O-CA 3.33Å; N92-T325 PolarHBondContact OD1-OG1 3.49Å; N92-I326 PolarHBondContact O-N 3.33Å; N92-L369 HydrophobicContact CB-CD1 3.87Å
93	V	98.7	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	111.1	-175.7	175.8	0	0	0	0	110	V34 V35 Y91 I95 G362 R366 L369	V34-V93 HydrophobicContact CB-CB 4.4Å; V34-V93 HydrophobicContact CB-CG1 4.01Å; V34-V93 HydrophobicContact CG1-CB 4.07Å; V34-V93 HydrophobicContact CG1-CG1 3.68Å; V35-V93 PolarHBondContact N-O 3.18Å; Y91-V93 PolarHBondContact O-N 2.66Å; V93-I95 HydrophobicContact CG1-CG1 4.19Å; V93-G362 VanDerWaalsContact CG1-O 3.3Å; V93-G362 WeakPolarHBondContact CG1-O 3.39Å; V93-R366 HydrophobicContact CG2-CB 4.14Å; V93-L369 HydrophobicContact CG2-CD1 4.17Å
94	G	98.7	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.2	166.5	0	0	0	0	0	111.9	I326 E327 S328	G94-I326 PolarHBondContact N-O 3.22Å; G94-E327 CarbonylContact O-C 3.58Å; G94-E327 WeakPolarHBondContact O-CA 3.47Å; G94-S328 PolarHBondContact O-N 2.66Å
95	I	98.7	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.2	174.3	-50.2	-176.4	0	0	0	106.9	V34 V35 L37 W47 V93 S328 W359 L363	V34-I95 HydrophobicContact CB-CD1 4.33Å; V34-I95 HydrophobicContact CG2-CD1 4.12Å; V35-I95 PolarHBondContact O-N 2.7Å; L37-I95 PolarHBondContact N-O 2.81Å; W47-I95 HydrophobicContact CH2-CG2 3.7Å; W47-I95 HydrophobicContact CZ2-CB 4.45Å; W47-I95 HydrophobicContact CZ2-CG2 3.63Å; V93-I95 HydrophobicContact CG1-CG1 4.19Å; I95-S328 CarbonylContact C-O 3.59Å; I95-S328 WeakPolarHBondContact CA-O 3.44Å; I95-W359 HydrophobicContact CD1-CD2 4.22Å; I95-W359 HydrophobicContact CD1-CE3 3.52Å; I95-W359 HydrophobicContact CD1-CH2 4.43Å; I95-W359 HydrophobicContact CD1-CZ3 3.68Å; I95-W359 HydrophobicContact CG2-CB 4.44Å; I95-W359 HydrophobicContact CG2-CD2 3.85Å; I95-W359 HydrophobicContact CG2-CE3 4.22Å; I95-W359 HydrophobicContact CG2-CG 3.98Å; I95-W359 HydrophobicContact CG2-CZ2 4.44Å; I95-L363 HydrophobicContact CD1-CD2 4.44Å; I95-L363 HydrophobicContact CD1-CG 4.2Å
96	K	98.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.2	-164	-176.9	-179.9	179.8	-63.8	0	113.9	L37 W47 T99 N120 I123 E327 S328 E329 A330	L37-K96 HydrophobicContact CB-CB 4Å; L37-K96 HydrophobicContact CB-CG 3.9Å; L37-K96 HydrophobicContact CD2-CB 4.22Å; L37-K96 HydrophobicContact CD2-CD 4.1Å; L37-K96 HydrophobicContact CD2-CG 4.1Å; W47-K96 VanDerWaalsContact CH2-C 3.47Å; W47-K96 WeakPolarHBondContact CH2-O 3.31Å; K96-T99 PolarHBondContact NZ-OG1 3.15Å; K96-T99 VanDerWaalsContact NZ-OG1 3.08Å; K96-N120 WeakPolarHBondContact CE-OD1 3.47Å; K96-N120 PolarHBondContact NZ-OD1 3.32Å; K96-I123 HydrophobicContact CD-CD1 3.79Å; K96-E327 HydrophobicContact CB-CG 4.35Å; K96-E327 VanDerWaalsContact CB-OE1 3.23Å; K96-E327 WeakPolarHBondContact CB-OE1 3.24Å; K96-S328 PolarHBondContact N-O 3.46Å; K96-E329 HydrophobicContact CB-CB 4.11Å; K96-E329 VanDerWaalsContact O-CA 3.3Å; K96-E329 WeakPolarHBondContact O-CA 3.42Å; K96-A330 PolarHBondContact O-N 2.82Å
97	C	97.6	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.			trans	-77.2	158	168.5	-168.8	0	0	0	0	111.6	L37 W47	L37-C97 WeakPolarHBondContact O-CB 3.5Å; L37-C97 PolarHBondContact O-N 3.28Å; W47-C97 HydrophobicContact CB-CB 4.44Å; W47-C97 HydrophobicContact CD2-CB 3.65Å; W47-C97 HydrophobicContact CE3-CB 3.96Å; W47-C97 HydrophobicContact CG-CB 3.88Å; W47-C97 HydrophobicContact CZ2-CB 4.27Å; W47-C97 HydrophobicContact CZ3-CB 4.4Å
98	A	96.4	Very high	96.9	Very high	7 Å²	7	49.3 Å²	49.3	6%	0.058	24%	0.237	C	C	.	.			trans	-68	141.4	176	0	0	0	0	0	111.2	G39 D40 T43 H332 T334	G39-A98 VanDerWaalsContact CA-O 3.27Å; G39-A98 WeakPolarHBondContact CA-O 3.43Å; D40-A98 PolarHBondContact N-O 2.86Å; T43-A98 HydrophobicContact CG2-CB 3.99Å; A98-H332 WeakPolarHBondContact CB-O 3.41Å; A98-T334 HydrophobicContact CB-CG2 4Å
99	T	96.8	Very high	96.8	Very high	17 Å²	17	53.1 Å²	53.1	10%	0.104	26%	0.255	C	S	.	.			trans	-130.5	148.1	-173.9	49.4	0	0	0	0	111	D40 L68 K96 P119	D40-T99 WeakPolarHBondContact OD2-CA 3.36Å; L68-T99 HydrophobicContact CB-CG2 3.77Å; K96-T99 PolarHBondContact NZ-OG1 3.15Å; K96-T99 VanDerWaalsContact NZ-OG1 3.08Å; T99-P119 HydrophobicContact CG2-CB 4.49Å; T99-P119 HydrophobicContact CG2-CG 4.32Å; T99-P119 WeakPolarHBondContact OG1-CG 3.38Å
100	I	95.6	Very high	96.7	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.046	25%	0.248	C	C	.	.			trans	-72.1	129.8	175.2	-64.2	168.4	0	0	0	109.7	D40 E41 L70 R73 R106 F110 T334	D40-I100 HydrophobicContact CB-CD1 3.89Å; D40-I100 HydrophobicContact CB-CG1 3.72Å; D40-I100 PolarHBondContact OD2-N 3.01Å; E41-I100 HydrophobicContact CG-CD1 3.92Å; L70-I100 HydrophobicContact CB-CB 4.49Å; L70-I100 HydrophobicContact CD2-CB 4.21Å; L70-I100 HydrophobicContact CD2-CD1 4.23Å; L70-I100 HydrophobicContact CD2-CG2 3.9Å; R73-I100 PolarHBondContact NH1-O 2.7Å; I100-R106 HydrophobicContact CG2-CG 4.38Å; I100-F110 HydrophobicContact CD1-CE2 4.14Å; I100-F110 HydrophobicContact CD1-CZ 3.88Å; I100-T334 HydrophobicContact CG1-CG2 4.07Å
101	T	94.4	Very high	96.7	Very high	75 Å²	75	52 Å²	52	46%	0.46	26%	0.255	S	S	.	.			trans	-97.3	110.4	156.3	-55.7	0	0	0	0	106.7	S118	T101-S118 WeakPolarHBondContact OG1-CA 3.33Å; T101-S118 WeakPolarHBondContact OG1-CB 3.47Å; T101-S118 PolarHBondContact OG1-OG 3.21Å; T101-S118 VanDerWaalsContact OG1-OG 3.1Å
102	P	95.2	Very high	96.7	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.039	25%	0.248	C	C	.	.			trans	-71.5	137.6	-170.1	28.8	-35.6	0	0	0	111.8	L70 R106 V107 L112 M115 W116	L70-P102 HydrophobicContact CD1-CB 4.42Å; L70-P102 HydrophobicContact CD1-CG 4.1Å; L70-P102 HydrophobicContact CD2-CB 4.38Å; P102-R106 HydrophobicContact CB-CB 3.82Å; P102-V107 HydrophobicContact CB-CG2 4.43Å; P102-L112 HydrophobicContact CB-CD1 3.63Å; P102-L112 HydrophobicContact CG-CD1 3.9Å; P102-M115 HydrophobicContact CG-CG 4.4Å; P102-M115 WeakPolarHBondContact O-CG 3.48Å; P102-W116 WeakPolarHBondContact CD-O 3.23Å; P102-W116 HydrophobicContact CG-CB 4.17Å
103	D	94	Very high	96.6	Very high	80 Å²	80	53.5 Å²	53.5	43%	0.428	26%	0.262	S	S	.	.			trans	-96.4	-175.8	163.6	62.9	21.9	0	0	0	110.5	Q105 R106 V107	D103-Q105 PolarHBondContact O-N 2.75Å; D103-Q105 WeakPolarHBondContact OD1-CA 3.42Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.37Å; D103-Q105 PolarHBondContact OD1-N 3.15Å; D103-R106 PolarHBondContact O-N 3.41Å; D103-R106 WeakPolarHBondContact OD1-CG 3.27Å; D103-R106 PolarHBondContact OD1-N 3.13Å; D103-V107 WeakPolarHBondContact O-CG2 3.19Å; D103-V107 PolarHBondContact O-N 2.89Å
104	E	95.1	Very high	96.4	Very high	140 Å²	140	59.3 Å²	59.3	65%	0.654	29%	0.287	S	S	*	.	H	α-helix	trans	-57.5	-33.7	178.7	-62.3	-179.3	174.8	0	0	113.2	K108 M115	E104-K108 PolarHBondContact O-N 3.41Å; E104-M115 HydrophobicContact CB-CE 4.32Å; E104-M115 HydrophobicContact CG-CE 3.64Å
105	Q	95.7	Very high	96.3	Very high	139 Å²	139	64 Å²	64	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-71.7	-44.8	178.4	-178.1	179.2	-5.3	0	0	110.4	D103 V107 K108 E109	D103-Q105 PolarHBondContact O-N 2.75Å; D103-Q105 WeakPolarHBondContact OD1-CA 3.42Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.37Å; D103-Q105 PolarHBondContact OD1-N 3.15Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.35Å; Q105-K108 PolarHBondContact O-N 3Å; Q105-E109 WeakPolarHBondContact O-CB 3.11Å; Q105-E109 PolarHBondContact O-N 3.42Å
106	R	95.4	Very high	96.1	Very high	26 Å²	26	64.8 Å²	64.8	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-34.2	177.6	-62.8	-47.8	-168.7	134.6	21.7	112.5	E41 I100 P102 D103 K108 E109 F110 T336 R340	E41-R106 IonicContact OE1-CZ 3.63Å; E41-R106 IonicContact OE1-NH1 3.4Å; E41-R106 PolarHBondContact OE1-NH1 2.83Å; E41-R106 VanDerWaalsContact OE1-NH1 3.1Å; E41-R106 IonicContact OE1-NH2 2.76Å; E41-R106 PolarHBondContact OE1-NH2 2.97Å; E41-R106 IonicContact OE2-NH2 3.54Å; I100-R106 HydrophobicContact CG2-CG 4.38Å; P102-R106 HydrophobicContact CB-CB 3.82Å; D103-R106 PolarHBondContact O-N 3.41Å; D103-R106 WeakPolarHBondContact OD1-CG 3.27Å; D103-R106 PolarHBondContact OD1-N 3.13Å; R106-K108 VanDerWaalsContact C-N 3.3Å; R106-K108 PolarHBondContact O-N 3.38Å; R106-E109 WeakPolarHBondContact CD-OE2 3.5Å; R106-E109 IonicContact CZ-OE2 2.59Å; R106-E109 IonicContact NE-OE2 3.58Å; R106-E109 IonicContact NH1-OE1 3.15Å; R106-E109 IonicContact NH1-OE2 2.84Å; R106-E109 PolarHBondContact NH1-OE2 2.75Å; R106-E109 PolarHBondContact O-N 2.75Å; R106-F110 HydrophobicContact CB-CD2 4.46Å; R106-F110 WeakPolarHBondContact O-CD2 3.31Å; R106-F110 PolarHBondContact O-N 2.93Å; R106-T336 PolarHBondContact NH2-OG1 2.93Å; R106-R340 VanDerWaalsContact NH1-NH2 3.1Å
107	V	96.8	Very high	95.8	Very high	33 Å²	33	71 Å²	71	20%	0.2	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-46.4	171.6	169.6	0	0	0	0	110.9	P102 D103 Q105 N111 L112 M115	P102-V107 HydrophobicContact CB-CG2 4.43Å; D103-V107 WeakPolarHBondContact O-CG2 3.19Å; D103-V107 PolarHBondContact O-N 2.89Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.35Å; V107-N111 WeakPolarHBondContact O-CA 3.27Å; V107-N111 PolarHBondContact O-N 2.79Å; V107-N111 VanDerWaalsContact O-N 3.11Å; V107-L112 HydrophobicContact CB-CD1 4.49Å; V107-L112 HydrophobicContact CG1-CB 4.35Å; V107-L112 HydrophobicContact CG2-CD1 4.07Å; V107-L112 PolarHBondContact O-N 3.3Å; V107-M115 HydrophobicContact CG2-CB 3.81Å; V107-M115 HydrophobicContact CG2-CE 4.29Å; V107-M115 HydrophobicContact CG2-CG 4.05Å
108	K	97.1	Very high	95.6	Very high	168 Å²	168	72.8 Å²	72.8	73%	0.73	36%	0.358	S	S	*	.	H	α-helix	trans	-68.9	-44.5	177	-67.8	172.8	-176.8	171	0	112.1	E104 Q105 R106 F110 N111	E104-K108 PolarHBondContact O-N 3.41Å; Q105-K108 PolarHBondContact O-N 3Å; R106-K108 VanDerWaalsContact C-N 3.3Å; R106-K108 PolarHBondContact O-N 3.38Å; K108-F110 PolarHBondContact O-N 3.44Å; K108-N111 PolarHBondContact O-N 3.13Å
109	E	96	Very high	95.5	Very high	81 Å²	81	72.4 Å²	72.4	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-46	-176.9	-168.4	-156.7	143.7	0	0	112.4	Q105 R106 R340	Q105-E109 WeakPolarHBondContact O-CB 3.11Å; Q105-E109 PolarHBondContact O-N 3.42Å; R106-E109 WeakPolarHBondContact CD-OE2 3.5Å; R106-E109 IonicContact CZ-OE2 2.59Å; R106-E109 IonicContact NE-OE2 3.58Å; R106-E109 IonicContact NH1-OE1 3.15Å; R106-E109 IonicContact NH1-OE2 2.84Å; R106-E109 PolarHBondContact NH1-OE2 2.75Å; R106-E109 PolarHBondContact O-N 2.75Å; E109-R340 IonicContact OE1-CZ 3.45Å; E109-R340 IonicContact OE1-NH1 3.45Å; E109-R340 PolarHBondContact OE1-NH1 3.32Å; E109-R340 IonicContact OE1-NH2 2.61Å; E109-R340 PolarHBondContact OE1-NH2 3.27Å; E109-R340 IonicContact OE2-NH2 3.17Å; E109-R340 PolarHBondContact OE2-NH2 2.98Å
110	F	96.1	Very high	95.3	Very high	62 Å²	62	73.1 Å²	73.1	27%	0.272	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.1	-178.9	-73.2	-98.5	0	0	0	113.1	L70 P71 I100 R106 K108 L112	L70-F110 HydrophobicContact CD2-CB 4.3Å; L70-F110 HydrophobicContact CD2-CD1 4.04Å; L70-F110 HydrophobicContact CD2-CD2 3.72Å; L70-F110 HydrophobicContact CD2-CE1 4.26Å; L70-F110 HydrophobicContact CD2-CE2 3.97Å; L70-F110 HydrophobicContact CD2-CG 3.76Å; L70-F110 HydrophobicContact CD2-CZ 4.23Å; L70-F110 HydrophobicContact CG-CD1 4.48Å; P71-F110 HydrophobicContact CG-CD1 4.25Å; P71-F110 HydrophobicContact CG-CE1 4.31Å; I100-F110 HydrophobicContact CD1-CE2 4.14Å; I100-F110 HydrophobicContact CD1-CZ 3.88Å; R106-F110 HydrophobicContact CB-CD2 4.46Å; R106-F110 WeakPolarHBondContact O-CD2 3.31Å; R106-F110 PolarHBondContact O-N 2.93Å; K108-F110 PolarHBondContact O-N 3.44Å; F110-L112 VanDerWaalsContact C-N 3.3Å; F110-L112 HydrophobicContact CB-CD2 3.44Å; F110-L112 VanDerWaalsContact CB-CD2 3.44Å; F110-L112 HydrophobicContact CB-CG 3.78Å; F110-L112 HydrophobicContact CG-CD2 4.44Å; F110-L112 PolarHBondContact O-N 3.18Å
111	N	97.3	Very high	95.1	Very high	143 Å²	143	74 Å²	74	77%	0.765	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.3	-174.3	-169.9	45.2	0	0	0	112.5	V107 K108	V107-N111 WeakPolarHBondContact O-CA 3.27Å; V107-N111 PolarHBondContact O-N 2.79Å; V107-N111 VanDerWaalsContact O-N 3.11Å; K108-N111 PolarHBondContact O-N 3.13Å
112	L	97.6	Very high	95	Very high	16 Å²	16	71.4 Å²	71.4	8%	0.084	35%	0.353	C	S	.	.			trans	-71.8	148.5	-174.7	-54.4	179.5	0	0	0	111.6	L70 D74 P102 V107 F110 K114	L70-L112 HydrophobicContact CD1-CD1 3.96Å; L70-L112 HydrophobicContact CD1-CD2 4.22Å; L70-L112 HydrophobicContact CD2-CD1 4.06Å; L70-L112 HydrophobicContact CD2-CD2 4.27Å; L70-L112 HydrophobicContact CG-CD1 4.25Å; L70-L112 HydrophobicContact CG-CD2 3.96Å; D74-L112 HydrophobicContact CB-CD2 3.97Å; P102-L112 HydrophobicContact CB-CD1 3.63Å; P102-L112 HydrophobicContact CG-CD1 3.9Å; V107-L112 HydrophobicContact CB-CD1 4.49Å; V107-L112 HydrophobicContact CG1-CB 4.35Å; V107-L112 HydrophobicContact CG2-CD1 4.07Å; V107-L112 PolarHBondContact O-N 3.3Å; F110-L112 VanDerWaalsContact C-N 3.3Å; F110-L112 HydrophobicContact CB-CD2 3.44Å; F110-L112 VanDerWaalsContact CB-CD2 3.44Å; F110-L112 HydrophobicContact CB-CG 3.78Å; F110-L112 HydrophobicContact CG-CD2 4.44Å; F110-L112 PolarHBondContact O-N 3.18Å; L112-K114 WeakPolarHBondContact CB-O 3.18Å; L112-K114 PolarHBondContact O-N 2.91Å
113	K	97.6	Very high	95	Very high	122 Å²	122	71.1 Å²	71.1	53%	0.53	35%	0.351	S	S	.	.	S	Bend	trans	-60.2	-36.1	174.1	-64.5	164.4	-175.1	168.9	0	112.2	D74 R75 N77 W116	D74-K113 PolarHBondContact O-NZ 3.08Å; D74-K113 PolarHBondContact OD1-N 3.44Å; D74-K113 WeakPolarHBondContact OD2-CE 3.47Å; D74-K113 IonicContact OD2-NZ 3.37Å; R75-K113 PolarHBondContact O-NZ 3.23Å; N77-K113 PolarHBondContact OD1-NZ 2.79Å; K113-W116 HydrophobicContact CB-CZ2 4.43Å; K113-W116 HydrophobicContact CD-CZ2 4.34Å
114	K	95.1	Very high	95	Very high	121 Å²	121	68.4 Å²	68.4	53%	0.526	34%	0.335	S	S	.	.	S	Bend	trans	-161.3	171.5	176.2	62.5	179.1	-179.8	178	0	110.6	L112 W116	L112-K114 WeakPolarHBondContact CB-O 3.18Å; L112-K114 PolarHBondContact O-N 2.91Å; K114-W116 HydrophobicContact CD-CH2 4.37Å; K114-W116 HydrophobicContact CD-CZ3 4.39Å; K114-W116 HydrophobicContact CG-CD2 4.21Å; K114-W116 HydrophobicContact CG-CE3 4.41Å; K114-W116 HydrophobicContact CG-CH2 4.28Å; K114-W116 HydrophobicContact CG-CZ2 4.06Å; K114-W116 HydrophobicContact CG-CZ3 4.48Å; K114-W116 PolarHBondContact O-N 2.94Å; K114-W116 VanDerWaalsContact O-N 3.15Å
115	M	95.2	Very high	94.8	Very high	98 Å²	98	65.6 Å²	65.6	48%	0.483	33%	0.325	S	S	.	.			trans	-72.2	103	170.2	-165	178.9	-64.7	0	0	109.7	P102 E104 V107	P102-M115 HydrophobicContact CG-CG 4.4Å; P102-M115 WeakPolarHBondContact O-CG 3.48Å; E104-M115 HydrophobicContact CB-CE 4.32Å; E104-M115 HydrophobicContact CG-CE 3.64Å; V107-M115 HydrophobicContact CG2-CB 3.81Å; V107-M115 HydrophobicContact CG2-CE 4.29Å; V107-M115 HydrophobicContact CG2-CG 4.05Å
116	W	95.2	Very high	94.7	Very high	18 Å²	18	60.8 Å²	60.8	7%	0.068	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-72.2	149.8	179.3	-64.7	105.8	0	0	0	112.1	D74 N77 D78 P102 K113 K114	D74-W116 PolarHBondContact OD1-NE1 2.77Å; N77-W116 HydrophobicContact CB-CH2 3.78Å; N77-W116 HydrophobicContact CB-CZ3 4.45Å; N77-W116 WeakPolarHBondContact O-CZ3 3.22Å; D78-W116 HydrophobicContact CB-CD2 4.37Å; D78-W116 HydrophobicContact CB-CE3 3.66Å; D78-W116 HydrophobicContact CB-CZ3 3.87Å; P102-W116 WeakPolarHBondContact CD-O 3.23Å; P102-W116 HydrophobicContact CG-CB 4.17Å; K113-W116 HydrophobicContact CB-CZ2 4.43Å; K113-W116 HydrophobicContact CD-CZ2 4.34Å; K114-W116 HydrophobicContact CD-CH2 4.37Å; K114-W116 HydrophobicContact CD-CZ3 4.39Å; K114-W116 HydrophobicContact CG-CD2 4.21Å; K114-W116 HydrophobicContact CG-CE3 4.41Å; K114-W116 HydrophobicContact CG-CH2 4.28Å; K114-W116 HydrophobicContact CG-CZ2 4.06Å; K114-W116 HydrophobicContact CG-CZ3 4.48Å; K114-W116 PolarHBondContact O-N 2.94Å; K114-W116 VanDerWaalsContact O-N 3.15Å
117	L	91.8	Very high	94.6	Very high	130 Å²	130	60.2 Å²	60.2	68%	0.681	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-67.9	169.3	176.5	-62.5	173	0	0	0	111.1	R73	R73-L117 PolarHBondContact NH2-O 2.92Å
118	S	92.7	Very high	94.2	Very high	37 Å²	37	59.8 Å²	59.8	26%	0.259	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-70.6	129.4	175.3	-176.4	0	0	0	0	111.5	T101 N120 G121 T122	T101-S118 WeakPolarHBondContact OG1-CA 3.33Å; T101-S118 WeakPolarHBondContact OG1-CB 3.47Å; T101-S118 PolarHBondContact OG1-OG 3.21Å; T101-S118 VanDerWaalsContact OG1-OG 3.1Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3Å; S118-G121 WeakPolarHBondContact O-CA 3.33Å; S118-G121 PolarHBondContact O-N 3.44Å; S118-G121 VanDerWaalsContact O-N 3.08Å; S118-T122 PolarHBondContact O-N 2.92Å; S118-T122 PolarHBondContact O-OG1 3.35Å
119	P	95.2	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.1	-41.5	172.3	-30	38.7	0	0	0	113.1	T81 T99 G121 T122 I123	T81-P119 HydrophobicContact CG2-CB 4.08Å; T99-P119 HydrophobicContact CG2-CB 4.49Å; T99-P119 HydrophobicContact CG2-CG 4.32Å; T99-P119 WeakPolarHBondContact OG1-CG 3.38Å; P119-G121 VanDerWaalsContact C-N 3.28Å; P119-G121 PolarHBondContact O-N 3.11Å; P119-T122 PolarHBondContact O-N 2.87Å; P119-I123 WeakPolarHBondContact O-CB 3.31Å; P119-I123 WeakPolarHBondContact O-CG1 3.27Å; P119-I123 PolarHBondContact O-N 3.2Å
120	N	92.5	Very high	93.9	Very high	31 Å²	31	48.8 Å²	48.8	17%	0.166	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-45.5	176.9	-71.4	8.8	0	0	0	110	K96 S118 R124 E329	K96-N120 WeakPolarHBondContact CE-OD1 3.47Å; K96-N120 PolarHBondContact NZ-OD1 3.32Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3Å; N120-R124 WeakPolarHBondContact O-CB 3.34Å; N120-R124 VanDerWaalsContact O-CD 3.23Å; N120-R124 WeakPolarHBondContact O-CD 3.42Å; N120-R124 WeakPolarHBondContact O-CG 3.5Å; N120-R124 PolarHBondContact O-N 3.24Å; N120-E329 PolarHBondContact ND2-OE2 2.66Å; N120-E329 PolarHBondContact OD1-OE2 3.42Å
121	G	90.5	Very high	94	Very high	27 Å²	27	45.9 Å²	45.9	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-49	174.9	0	0	0	0	0	112.4	S118 P119 N125	S118-G121 WeakPolarHBondContact O-CA 3.33Å; S118-G121 PolarHBondContact O-N 3.44Å; S118-G121 VanDerWaalsContact O-N 3.08Å; P119-G121 VanDerWaalsContact C-N 3.28Å; P119-G121 PolarHBondContact O-N 3.11Å; G121-N125 VanDerWaalsContact O-CB 3.29Å; G121-N125 WeakPolarHBondContact O-CB 3.47Å; G121-N125 PolarHBondContact O-N 2.68Å; G121-N125 PolarHBondContact O-ND2 3.38Å; G121-N125 PolarHBondContact O-OD1 3.22Å
122	T	93.5	Very high	94	Very high	21 Å²	21	39.3 Å²	39.3	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-48.6	179.7	-59.1	0	0	0	0	112.3	T81 I82 S118 P119 N125 I126	T81-T122 HydrophobicContact CG2-CG2 3.72Å; I82-T122 HydrophobicContact CG1-CG2 4.08Å; S118-T122 PolarHBondContact O-N 2.92Å; S118-T122 PolarHBondContact O-OG1 3.35Å; P119-T122 PolarHBondContact O-N 2.87Å; T122-N125 WeakPolarHBondContact O-CB 3.37Å; T122-N125 PolarHBondContact O-N 2.74Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.44Å; T122-I126 PolarHBondContact O-N 2.79Å; T122-I126 VanDerWaalsContact O-N 3.12Å
123	I	95.8	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-49.8	179	-68.4	163.4	0	0	0	110.2	L37 L68 T81 A85 I88 K96 P119 N125 I126 L127 E327	L37-I123 HydrophobicContact CD2-CD1 3.52Å; L68-I123 HydrophobicContact CD1-CD1 3.89Å; T81-I123 HydrophobicContact CG2-CD1 4.37Å; T81-I123 HydrophobicContact CG2-CG1 4Å; A85-I123 HydrophobicContact CB-CB 4.46Å; A85-I123 HydrophobicContact CB-CG1 4.18Å; A85-I123 HydrophobicContact CB-CG2 4.48Å; I88-I123 HydrophobicContact CD1-CG2 4.23Å; K96-I123 HydrophobicContact CD-CD1 3.79Å; P119-I123 WeakPolarHBondContact O-CB 3.31Å; P119-I123 WeakPolarHBondContact O-CG1 3.27Å; P119-I123 PolarHBondContact O-N 3.2Å; I123-N125 PolarHBondContact O-N 3.11Å; I123-I126 PolarHBondContact O-N 2.96Å; I123-I126 VanDerWaalsContact O-N 3.12Å; I123-L127 HydrophobicContact CG2-CD1 3.53Å; I123-L127 HydrophobicContact CG2-CG 4.03Å; I123-L127 WeakPolarHBondContact O-CB 3.19Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.32Å; I123-E327 HydrophobicContact CG2-CG 4.37Å
124	R	93	Very high	93.9	Very high	23 Å²	23	34.7 Å²	34.7	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-30.9	178.3	-67.8	166	-175.4	-179.9	-0	112.5	N120 G128 L318 E329	N120-R124 WeakPolarHBondContact O-CB 3.34Å; N120-R124 VanDerWaalsContact O-CD 3.23Å; N120-R124 WeakPolarHBondContact O-CD 3.42Å; N120-R124 WeakPolarHBondContact O-CG 3.5Å; N120-R124 PolarHBondContact O-N 3.24Å; R124-G128 WeakPolarHBondContact O-CA 3.49Å; R124-G128 PolarHBondContact O-N 3.45Å; R124-L318 HydrophobicContact CG-CD1 4.22Å; R124-L318 HydrophobicContact CG-CD2 3.9Å; R124-E329 IonicContact CZ-OE1 3.5Å; R124-E329 IonicContact NH2-OE1 3.57Å; R124-E329 PolarHBondContact NH2-OE1 3.46Å; R124-E329 IonicContact NH2-OE2 3.4Å
125	N	90	Very high	94	Very high	82 Å²	82	29.2 Å²	29.2	44%	0.439	17%	0.168	S	C	.	.	H	α-helix	trans	-69.4	-37.9	175.3	-73.4	-24.1	0	0	0	112.9	G121 T122 I123 K164	G121-N125 VanDerWaalsContact O-CB 3.29Å; G121-N125 WeakPolarHBondContact O-CB 3.47Å; G121-N125 PolarHBondContact O-N 2.68Å; G121-N125 PolarHBondContact O-ND2 3.38Å; G121-N125 PolarHBondContact O-OD1 3.22Å; T122-N125 WeakPolarHBondContact O-CB 3.37Å; T122-N125 PolarHBondContact O-N 2.74Å; I123-N125 PolarHBondContact O-N 3.11Å; N125-K164 WeakPolarHBondContact OD1-CE 3.12Å; N125-K164 PolarHBondContact OD1-NZ 2.76Å
126	I	93.6	Very high	94	Very high	38 Å²	38	25 Å²	25	20%	0.195	15%	0.148	C	C	.	.	H	α-helix	trans	-76.8	-48.5	179.3	-68.6	167.3	0	0	0	109.6	I82 A85 K89 T122 I123	I82-I126 HydrophobicContact CB-CD1 4.25Å; I82-I126 HydrophobicContact CG1-CD1 4.23Å; I82-I126 HydrophobicContact CG2-CD1 4.02Å; A85-I126 HydrophobicContact CB-CB 3.83Å; A85-I126 HydrophobicContact CB-CD1 3.66Å; A85-I126 HydrophobicContact CB-CG1 4.34Å; A85-I126 HydrophobicContact CB-CG2 3.77Å; K89-I126 HydrophobicContact CD-CG2 4.4Å; K89-I126 WeakPolarHBondContact CE-O 3.42Å; K89-I126 PolarHBondContact NZ-O 3.48Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.44Å; T122-I126 PolarHBondContact O-N 2.79Å; T122-I126 VanDerWaalsContact O-N 3.12Å; I123-I126 PolarHBondContact O-N 2.96Å; I123-I126 VanDerWaalsContact O-N 3.12Å
127	L	93.5	Very high	94	Very high	13 Å²	13	26.5 Å²	26.5	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-70.5	-40.5	-178.4	-65.5	-172.2	0	0	0	112.5	A85 I88 K89 I123 L318 T325 E327	A85-L127 WeakPolarHBondContact O-CD2 3.47Å; I88-L127 HydrophobicContact CB-CD1 4.23Å; I88-L127 HydrophobicContact CB-CD2 4.14Å; I88-L127 HydrophobicContact CD1-CD1 4.17Å; I88-L127 HydrophobicContact CG2-CD1 3.68Å; I88-L127 HydrophobicContact CG2-CD2 3.95Å; I88-L127 HydrophobicContact CG2-CG 4.49Å; K89-L127 HydrophobicContact CD-CD2 4.36Å; K89-L127 HydrophobicContact CG-CD2 3.42Å; K89-L127 VanDerWaalsContact CG-CD2 3.42Å; I123-L127 HydrophobicContact CG2-CD1 3.53Å; I123-L127 HydrophobicContact CG2-CG 4.03Å; I123-L127 WeakPolarHBondContact O-CB 3.19Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.32Å; L127-L318 HydrophobicContact CB-CD2 3.99Å; L127-L318 HydrophobicContact CD1-CD2 3.85Å; L127-T325 HydrophobicContact CD2-CG2 4.3Å; L127-E327 HydrophobicContact CD1-CB 4.02Å
128	G	89.4	Confident	94.2	Very high	25 Å²	25	20.7 Å²	20.7	26%	0.258	13%	0.127	S	C	.	.			trans	68.8	-172.2	-164.7	0	0	0	0	0	111.6	R124	R124-G128 WeakPolarHBondContact O-CA 3.49Å; R124-G128 PolarHBondContact O-N 3.45Å
129	G	91.3	Very high	94.2	Very high	18 Å²	18	23 Å²	23	19%	0.186	15%	0.148	C	C	.	.			trans	104.6	-165.7	172.6	0	0	0	0	0	115.4	M319	G129-M319 CarbonylContact C-O 3.56Å; G129-M319 WeakPolarHBondContact CA-O 3.41Å
130	T	96.4	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.7	-171.3	-53.9	0	0	0	0	109.9	F132 F215 S218 L318 M319	T130-F132 HydrophobicContact CG2-CD2 4.24Å; T130-F132 HydrophobicContact CG2-CE1 4.03Å; T130-F132 HydrophobicContact CG2-CE2 3.68Å; T130-F132 HydrophobicContact CG2-CZ 3.56Å; T130-F215 HydrophobicContact CG2-CD2 3.56Å; T130-F215 HydrophobicContact CG2-CE2 3.61Å; T130-F215 WeakPolarHBondContact OG1-CD2 3.38Å; T130-S218 WeakPolarHBondContact OG1-CB 3.14Å; T130-S218 PolarHBondContact OG1-OG 3.14Å; T130-L318 WeakPolarHBondContact O-CA 3.49Å; T130-M319 PolarHBondContact N-O 3Å; T130-M319 PolarHBondContact O-N 2.89Å
131	V	96.7	Very high	94.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.8	176	179.8	0	0	0	0	108.6	R133 G155 R156 A158 L318	V131-R133 HydrophobicContact CG1-CG 4.34Å; V131-G155 CarbonylContact O-C 3.52Å; V131-G155 WeakPolarHBondContact O-CA 3.32Å; V131-R156 HydrophobicContact CB-CB 4.29Å; V131-R156 PolarHBondContact N-O 3.15Å; V131-R156 VanDerWaalsContact N-O 3.09Å; V131-R156 PolarHBondContact O-N 3.21Å; V131-A158 HydrophobicContact CG2-CB 3.77Å; V131-L318 HydrophobicContact CG2-CB 4.31Å; V131-L318 HydrophobicContact CG2-CD1 3.61Å
132	F	97.4	Very high	94.5	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.022	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.5	173.6	-66.2	-80.2	0	0	0	110	T130 V153 V154 Y222 V289 S316 V317 M319	T130-F132 HydrophobicContact CG2-CD2 4.24Å; T130-F132 HydrophobicContact CG2-CE1 4.03Å; T130-F132 HydrophobicContact CG2-CE2 3.68Å; T130-F132 HydrophobicContact CG2-CZ 3.56Å; F132-V153 HydrophobicContact CB-CG1 4.38Å; F132-V153 HydrophobicContact CD1-CG1 3.92Å; F132-V154 CarbonylContact C-O 3.58Å; F132-V154 WeakPolarHBondContact CA-O 3.47Å; F132-Y222 HydrophobicContact CB-CD2 4.4Å; F132-Y222 HydrophobicContact CB-CE2 3.92Å; F132-Y222 HydrophobicContact CD1-CD1 4.2Å; F132-Y222 AromaticContact CD1-CD2 3.73Å; F132-Y222 HydrophobicContact CD1-CD2 3.73Å; F132-Y222 HydrophobicContact CD1-CE1 4.48Å; F132-Y222 HydrophobicContact CD1-CE2 4.03Å; F132-Y222 AromaticContact CD1-CG 3.83Å; F132-Y222 HydrophobicContact CD1-CG 3.83Å; F132-Y222 AromaticContact CD2-CD2 3.72Å; F132-Y222 HydrophobicContact CD2-CD2 3.72Å; F132-Y222 AromaticContact CD2-CE2 3.98Å; F132-Y222 HydrophobicContact CD2-CE2 3.98Å; F132-Y222 HydrophobicContact CE1-CD1 4.29Å; F132-Y222 AromaticContact CE1-CD2 3.83Å; F132-Y222 HydrophobicContact CE1-CD2 3.83Å; F132-Y222 AromaticContact CE1-CG 3.67Å; F132-Y222 HydrophobicContact CE1-CG 3.67Å; F132-Y222 AromaticContact CE2-CD2 3.81Å; F132-Y222 HydrophobicContact CE2-CD2 3.81Å; F132-Y222 HydrophobicContact CE2-CG 4.38Å; F132-Y222 AromaticContact CG-CD2 3.67Å; F132-Y222 HydrophobicContact CG-CD2 3.67Å; F132-Y222 AromaticContact CG-CE2 3.69Å; F132-Y222 HydrophobicContact CG-CE2 3.69Å; F132-Y222 HydrophobicContact CG-CG 4.26Å; F132-Y222 AromaticContact CZ-CD2 3.86Å; F132-Y222 HydrophobicContact CZ-CD2 3.86Å; F132-Y222 AromaticContact CZ-CG 3.96Å; F132-Y222 HydrophobicContact CZ-CG 3.96Å; F132-V289 HydrophobicContact CE1-CG1 4.48Å; F132-S316 WeakPolarHBondContact O-CA 3.49Å; F132-V317 PolarHBondContact N-O 3.2Å; F132-V317 PolarHBondContact O-N 3.16Å; F132-M319 HydrophobicContact CD2-CB 4.16Å; F132-M319 HydrophobicContact CE2-CB 4.02Å
133	R	97.5	Very high	94.5	Very high	19 Å²	19	28.4 Å²	28.4	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.2	174.4	-77	179.3	168.7	-156.2	-7.7	110	V131 V153 V154 S301 D302 M314 T315 A331	V131-R133 HydrophobicContact CG1-CG 4.34Å; R133-V153 CarbonylContact O-C 3.49Å; R133-V153 WeakPolarHBondContact O-CA 3.17Å; R133-V154 PolarHBondContact N-O 3.1Å; R133-V154 PolarHBondContact O-N 3.43Å; R133-S301 WeakPolarHBondContact CD-OG 3.09Å; R133-S301 PolarHBondContact NH1-OG 2.8Å; R133-D302 IonicContact NH1-OD1 3.57Å; R133-D302 PolarHBondContact NH1-OD1 3.14Å; R133-M314 VanDerWaalsContact C-SD 3.53Å; R133-M314 HydrophobicContact CB-CG 4.27Å; R133-M314 HydrophobicContact CB-SD 3.76Å; R133-T315 VanDerWaalsContact CA-O 3.25Å; R133-T315 WeakPolarHBondContact CA-O 3.23Å; R133-A331 PolarHBondContact NH2-O 2.87Å
134	E	97	Very high	94.4	Very high	22 Å²	22	34 Å²	34	10%	0.103	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.5	-179	-174.2	175.8	-167.5	0	0	111.2	P151 V153 Y222 K226 M314 T315	E134-P151 HydrophobicContact CG-CB 4.22Å; E134-V153 HydrophobicContact CB-CG2 3.88Å; E134-V153 HydrophobicContact CG-CG2 3.67Å; E134-Y222 PolarHBondContact OE2-OH 2.65Å; E134-K226 IonicContact OE1-NZ 3.55Å; E134-K226 PolarHBondContact OE1-NZ 2.78Å; E134-K226 IonicContact OE2-NZ 3.42Å; E134-K226 PolarHBondContact OE2-NZ 2.96Å; E134-M314 PolarHBondContact N-SD 3.12Å; E134-T315 WeakPolarHBondContact CB-OG1 3.05Å; E134-T315 PolarHBondContact N-O 3.26Å; E134-T315 PolarHBondContact N-OG1 2.91Å; E134-T315 PolarHBondContact O-N 3.12Å; E134-T315 PolarHBondContact O-OG1 3.28Å
135	P	96.6	Very high	94.4	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.5	-178.4	29.2	-35.6	0	0	0	111.6	L137 P151 I152 I304 Y308 L313 M314	P135-L137 HydrophobicContact CB-CD2 4.25Å; P135-L137 HydrophobicContact CG-CD2 4.33Å; P135-P151 HydrophobicContact CG-CB 3.99Å; P135-I152 WeakPolarHBondContact CD-O 3.14Å; P135-I304 HydrophobicContact CG-CG2 4.36Å; P135-Y308 HydrophobicContact CB-CD1 4.44Å; P135-Y308 HydrophobicContact CB-CD2 3.52Å; P135-Y308 HydrophobicContact CB-CE2 4.15Å; P135-Y308 HydrophobicContact CB-CG 3.71Å; P135-Y308 HydrophobicContact CG-CD1 4.48Å; P135-Y308 HydrophobicContact CG-CD2 3.52Å; P135-Y308 HydrophobicContact CG-CE1 4.5Å; P135-Y308 HydrophobicContact CG-CE2 3.6Å; P135-Y308 HydrophobicContact CG-CG 4Å; P135-L313 CarbonylContact C-O 3.59Å; P135-L313 WeakPolarHBondContact CA-O 3.4Å; P135-M314 HydrophobicContact CB-CE 3.88Å; P135-M314 HydrophobicContact CG-CE 4.47Å; P135-M314 VanDerWaalsContact N-SD 3.39Å
136	I	95.7	Very high	94.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.051	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-93	116.2	174	-56.9	166.9	0	0	0	107.1	L313 T315 I353 F357 I387	I136-L313 HydrophobicContact CB-CB 4.2Å; I136-L313 HydrophobicContact CB-CD2 4.47Å; I136-L313 HydrophobicContact CG2-CD2 4.5Å; I136-L313 PolarHBondContact N-O 3.46Å; I136-T315 HydrophobicContact CD1-CG2 3.98Å; I136-T315 HydrophobicContact CG1-CG2 3.82Å; I136-I353 HydrophobicContact CD1-CG2 3.63Å; I136-F357 HydrophobicContact CB-CE1 4.5Å; I136-F357 HydrophobicContact CD1-CB 3.99Å; I136-F357 HydrophobicContact CD1-CD1 3.39Å; I136-F357 HydrophobicContact CD1-CD2 3.79Å; I136-F357 HydrophobicContact CD1-CE1 3.68Å; I136-F357 HydrophobicContact CD1-CE2 4.06Å; I136-F357 HydrophobicContact CD1-CG 3.43Å; I136-F357 VanDerWaalsContact CD1-CG 3.43Å; I136-F357 HydrophobicContact CD1-CZ 4Å; I136-F357 HydrophobicContact CG1-CD1 3.8Å; I136-F357 HydrophobicContact CG1-CE1 3.75Å; I136-F357 HydrophobicContact CG1-CG 4.35Å; I136-F357 HydrophobicContact CG1-CZ 4.28Å; I136-F357 HydrophobicContact CG2-CE1 3.95Å; I136-F357 HydrophobicContact CG2-CE2 4.4Å; I136-F357 HydrophobicContact CG2-CZ 3.74Å; I136-I387 HydrophobicContact CG2-CD1 4.41Å; I136-I387 HydrophobicContact CG2-CG1 4.2Å
137	L	94.6	Very high	94.6	Very high	49 Å²	49	35.7 Å²	35.7	26%	0.257	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-92.7	124.8	-174.4	-54.5	-173.3	0	0	0	110.7	P135 P151 Y308	P135-L137 HydrophobicContact CB-CD2 4.25Å; P135-L137 HydrophobicContact CG-CD2 4.33Å; L137-P151 HydrophobicContact CD1-CG 3.93Å; L137-Y308 HydrophobicContact CD2-CD1 3.28Å; L137-Y308 HydrophobicContact CD2-CE1 3.63Å; L137-Y308 HydrophobicContact CD2-CG 4Å
138	C	95.3	Very high	94.7	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.047	22%	0.222	C	C	.	.			trans	-115.5	125.8	166.6	-59.2	0	0	0	0	108.3	N140 V141 V390 E391	C138-N140 PolarHBondContact O-N 2.95Å; C138-V141 HydrophobicContact CB-CB 4.26Å; C138-V141 HydrophobicContact CB-CG2 3.72Å; C138-V141 PolarHBondContact O-N 2.72Å; C138-V141 VanDerWaalsContact O-N 3.13Å; C138-V390 HydrophobicContact CB-CB 4.41Å; C138-V390 HydrophobicContact CB-CG1 3.83Å; C138-E391 HydrophobicContact CB-CG 4.35Å
139	A	94	Very high	95	Very high	86 Å²	86	37.6 Å²	37.6	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.2	-171.2	0	0	0	0	0	113.8	E391	A139-E391 VanDerWaalsContact CB-OE1 3.31Å; A139-E391 WeakPolarHBondContact CB-OE1 3.3Å; A139-E391 PolarHBondContact N-OE1 2.59Å
140	N	94.7	Very high	95.2	Very high	50 Å²	50	41.5 Å²	41.5	27%	0.267	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.3	-179.4	70.6	-26.6	0	0	0	114.3	C138 P142 V390 E391	C138-N140 PolarHBondContact O-N 2.95Å; N140-P142 WeakPolarHBondContact O-CD 3.49Å; N140-V390 PolarHBondContact ND2-O 3.13Å; N140-E391 WeakPolarHBondContact ND2-CA 3.29Å
141	V	94.9	Very high	95.3	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.042	25%	0.251	C	S	.	.	S	Bend	trans	-94.5	114.4	174.4	177.3	0	0	0	0	109	C138 R143 L313 V390 L399 C402	C138-V141 HydrophobicContact CB-CB 4.26Å; C138-V141 HydrophobicContact CB-CG2 3.72Å; C138-V141 PolarHBondContact O-N 2.72Å; C138-V141 VanDerWaalsContact O-N 3.13Å; V141-R143 PolarHBondContact O-N 3.1Å; V141-L313 HydrophobicContact CG1-CD1 4.22Å; V141-L313 HydrophobicContact CG2-CD1 4.33Å; V141-V390 HydrophobicContact CG2-CG1 3.81Å; V141-L399 HydrophobicContact CG1-CD2 4.44Å; V141-L399 HydrophobicContact CG2-CD2 4.44Å; V141-C402 HydrophobicContact CG1-CB 4.17Å
142	P	93.7	Very high	95.3	Very high	61 Å²	61	42.6 Å²	42.6	40%	0.396	25%	0.251	S	S	.	.			trans	-63.2	136	178.2	-24.7	35.7	0	0	0	111.9	N140 I403	N140-P142 WeakPolarHBondContact O-CD 3.49Å; P142-I403 HydrophobicContact CG-CG1 4.25Å
143	R	93.2	Very high	95.4	Very high	75 Å²	75	42.4 Å²	42.4	28%	0.283	25%	0.25	S	C	.	.			trans	-88.3	142.9	176.4	-56.7	176.6	-170.4	131.2	-0	109.8	V141 V145 W148 G307 Y308	V141-R143 PolarHBondContact O-N 3.1Å; R143-V145 VanDerWaalsContact C-N 3.29Å; R143-W148 WeakPolarHBondContact CD-O 3.46Å; R143-W148 PolarHBondContact NE-O 3.35Å; R143-W148 VanDerWaalsContact NE-O 3.14Å; R143-W148 PolarHBondContact NH1-O 3.16Å; R143-G307 CarbonylContact C-O 3.58Å; R143-G307 WeakPolarHBondContact CA-O 3.38Å; R143-Y308 HydrophobicContact CG-CD1 4.38Å
144	L	93.4	Very high	95.4	Very high	118 Å²	118	41.5 Å²	41.5	62%	0.618	25%	0.247	S	C	*	.	S	Bend	trans	-74.6	-24.4	173.1	-61.2	179.4	0	0	0	112.1	P146 Q306 G307	L144-P146 WeakPolarHBondContact O-CD 3.43Å; L144-Q306 HydrophobicContact CD1-CG 3.97Å; L144-Q306 WeakPolarHBondContact CD1-O 3.43Å; L144-G307 PolarHBondContact N-O 2.99Å
145	V	94.9	Very high	95.5	Very high	25 Å²	25	40.5 Å²	40.5	15%	0.152	24%	0.242	C	C	.	.	S	Bend	trans	-109.8	95.7	170.6	-172.8	0	0	0	0	107.9	R143 G147 W148 L282	R143-V145 VanDerWaalsContact C-N 3.29Å; V145-G147 PolarHBondContact O-N 2.91Å; V145-W148 HydrophobicContact CB-CD2 3.65Å; V145-W148 HydrophobicContact CB-CE3 3.86Å; V145-W148 HydrophobicContact CB-CG 4.03Å; V145-W148 HydrophobicContact CB-CH2 4.38Å; V145-W148 HydrophobicContact CB-CZ2 4.22Å; V145-W148 HydrophobicContact CB-CZ3 4.23Å; V145-W148 HydrophobicContact CG1-CD2 3.78Å; V145-W148 HydrophobicContact CG1-CE3 4.48Å; V145-W148 HydrophobicContact CG1-CG 3.87Å; V145-W148 HydrophobicContact CG1-CZ2 4.15Å; V145-W148 HydrophobicContact CG2-CD2 4.22Å; V145-W148 HydrophobicContact CG2-CE3 4.14Å; V145-W148 HydrophobicContact CG2-CH2 3.87Å; V145-W148 HydrophobicContact CG2-CZ2 3.97Å; V145-W148 HydrophobicContact CG2-CZ3 3.98Å; V145-W148 PolarHBondContact O-N 2.97Å; V145-L282 HydrophobicContact CG1-CD2 4.27Å; V145-L282 HydrophobicContact CG2-CD2 3.79Å
146	P	92.6	Very high	95.5	Very high	112 Å²	112	40.6 Å²	40.6	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.7	-170.1	-26.7	36	0	0	0	114.7	L144 W148	L144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-W148 VanDerWaalsContact C-N 3.28Å; P146-W148 PolarHBondContact O-N 3.34Å
147	G	94.1	Very high	95.5	Very high	40 Å²	40	40.2 Å²	40.2	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.1	-179	0	0	0	0	0	114.2	V145 T149 D285	V145-G147 PolarHBondContact O-N 2.91Å; G147-T149 PolarHBondContact O-N 2.8Å; G147-D285 WeakPolarHBondContact O-CA 3.1Å
148	W	96.3	Very high	95.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	23%	0.232	C	C	.	.			trans	-71.5	103.8	-179.5	-69.4	-6	0	0	0	110.5	R143 V145 P146 I152 T281 L282 I304 Y308	R143-W148 WeakPolarHBondContact CD-O 3.46Å; R143-W148 PolarHBondContact NE-O 3.35Å; R143-W148 VanDerWaalsContact NE-O 3.14Å; R143-W148 PolarHBondContact NH1-O 3.16Å; V145-W148 HydrophobicContact CB-CD2 3.65Å; V145-W148 HydrophobicContact CB-CE3 3.86Å; V145-W148 HydrophobicContact CB-CG 4.03Å; V145-W148 HydrophobicContact CB-CH2 4.38Å; V145-W148 HydrophobicContact CB-CZ2 4.22Å; V145-W148 HydrophobicContact CB-CZ3 4.23Å; V145-W148 HydrophobicContact CG1-CD2 3.78Å; V145-W148 HydrophobicContact CG1-CE3 4.48Å; V145-W148 HydrophobicContact CG1-CG 3.87Å; V145-W148 HydrophobicContact CG1-CZ2 4.15Å; V145-W148 HydrophobicContact CG2-CD2 4.22Å; V145-W148 HydrophobicContact CG2-CE3 4.14Å; V145-W148 HydrophobicContact CG2-CH2 3.87Å; V145-W148 HydrophobicContact CG2-CZ2 3.97Å; V145-W148 HydrophobicContact CG2-CZ3 3.98Å; V145-W148 PolarHBondContact O-N 2.97Å; P146-W148 VanDerWaalsContact C-N 3.28Å; P146-W148 PolarHBondContact O-N 3.34Å; W148-I152 HydrophobicContact CD2-CD1 3.88Å; W148-I152 HydrophobicContact CE3-CD1 4.38Å; W148-I152 HydrophobicContact CG-CD1 4.19Å; W148-I152 HydrophobicContact CZ2-CD1 4.1Å; W148-T281 HydrophobicContact CH2-CG2 4.48Å; W148-T281 HydrophobicContact CZ2-CG2 3.71Å; W148-T281 PolarHBondContact NE1-O 3.1Å; W148-L282 HydrophobicContact CH2-CD2 4.45Å; W148-L282 HydrophobicContact CZ2-CD2 3.93Å; W148-I304 HydrophobicContact CH2-CD1 3.35Å; W148-I304 HydrophobicContact CZ2-CD1 3.88Å; W148-I304 HydrophobicContact CZ3-CD1 3.77Å; W148-Y308 HydrophobicContact CB-CE1 3.79Å; W148-Y308 HydrophobicContact CD2-CE2 4.18Å; W148-Y308 AromaticContact CE3-CD2 3.84Å; W148-Y308 HydrophobicContact CE3-CD2 3.84Å; W148-Y308 HydrophobicContact CE3-CE1 4.43Å; W148-Y308 AromaticContact CE3-CE2 3.43Å; W148-Y308 HydrophobicContact CE3-CE2 3.43Å; W148-Y308 VanDerWaalsContact CE3-CE2 3.43Å; W148-Y308 HydrophobicContact CE3-CG 4.45Å; W148-Y308 AromaticContact CE3-CZ 3.78Å; W148-Y308 HydrophobicContact CZ3-CD2 4.19Å; W148-Y308 AromaticContact CZ3-CE2 3.99Å; W148-Y308 HydrophobicContact CZ3-CE2 3.99Å
149	T	94.5	Very high	95.3	Very high	77 Å²	77	40.1 Å²	40.1	47%	0.472	24%	0.239	S	C	.	.			trans	-108.8	-25.9	-178.5	57.3	0	0	0	0	113.2	G147 D285	G147-T149 PolarHBondContact O-N 2.8Å; T149-D285 PolarHBondContact N-O 2.97Å; T149-D285 PolarHBondContact OG1-O 2.97Å
150	K	96.5	Very high	95.2	Very high	101 Å²	101	36 Å²	36	44%	0.439	21%	0.205	S	C	.	.	S	Bend	trans	-106.9	158.6	173.4	-62.6	166	-173.8	154.9	0	109.6	D285 Y308	K150-D285 WeakPolarHBondContact CE-OD2 3.41Å; K150-D285 PolarHBondContact N-O 3.24Å; K150-D285 IonicContact NZ-OD2 3.75Å; K150-D285 PolarHBondContact NZ-OD2 3.07Å; K150-Y308 PolarHBondContact O-OH 3.47Å
151	P	97.1	Very high	95.2	Very high	23 Å²	23	33.9 Å²	33.9	15%	0.149	19%	0.194	C	C	.	.			trans	-66.2	153.5	177.7	-12.4	26.3	0	0	0	111.9	E134 P135 L137 W228 G287	E134-P151 HydrophobicContact CG-CB 4.22Å; P135-P151 HydrophobicContact CG-CB 3.99Å; L137-P151 HydrophobicContact CD1-CG 3.93Å; P151-W228 HydrophobicContact CB-CH2 3.81Å; P151-W228 HydrophobicContact CB-CZ3 4.28Å; P151-W228 HydrophobicContact CG-CH2 3.7Å; P151-W228 HydrophobicContact CG-CZ2 4.38Å; P151-G287 WeakPolarHBondContact O-CA 2.93Å; P151-G287 PolarHBondContact O-N 3.26Å
152	I	98.4	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.5	166.1	-64.8	161.4	0	0	0	107.1	P135 W148 T281 F288 I304 Y308	P135-I152 WeakPolarHBondContact CD-O 3.14Å; W148-I152 HydrophobicContact CD2-CD1 3.88Å; W148-I152 HydrophobicContact CE3-CD1 4.38Å; W148-I152 HydrophobicContact CG-CD1 4.19Å; W148-I152 HydrophobicContact CZ2-CD1 4.1Å; I152-T281 HydrophobicContact CD1-CG2 3.8Å; I152-F288 HydrophobicContact CB-CZ 4.5Å; I152-F288 HydrophobicContact CD1-CE1 4.14Å; I152-F288 HydrophobicContact CD1-CZ 3.93Å; I152-F288 HydrophobicContact CG1-CD1 4.48Å; I152-F288 HydrophobicContact CG1-CE1 3.86Å; I152-F288 HydrophobicContact CG1-CE2 4.43Å; I152-F288 HydrophobicContact CG1-CZ 3.83Å; I152-F288 HydrophobicContact CG2-CD2 4.24Å; I152-F288 HydrophobicContact CG2-CE2 3.66Å; I152-F288 HydrophobicContact CG2-CZ 3.85Å; I152-I304 HydrophobicContact CB-CD1 4.23Å; I152-I304 HydrophobicContact CB-CG2 4.27Å; I152-I304 HydrophobicContact CD1-CD1 3.91Å; I152-I304 HydrophobicContact CG2-CD1 4.04Å; I152-I304 HydrophobicContact CG2-CG1 4.26Å; I152-Y308 HydrophobicContact CD1-CE2 4.46Å; I152-Y308 WeakPolarHBondContact CG1-OH 3.43Å; I152-Y308 PolarHBondContact N-OH 2.94Å
153	V	98.3	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.6	177.4	173.5	0	0	0	0	108.6	F132 R133 E134 Y222 W228 F288 V289 W290	F132-V153 HydrophobicContact CB-CG1 4.38Å; F132-V153 HydrophobicContact CD1-CG1 3.92Å; R133-V153 CarbonylContact O-C 3.49Å; R133-V153 WeakPolarHBondContact O-CA 3.17Å; E134-V153 HydrophobicContact CB-CG2 3.88Å; E134-V153 HydrophobicContact CG-CG2 3.67Å; V153-Y222 HydrophobicContact CB-CE1 4.38Å; V153-Y222 HydrophobicContact CG1-CD1 4.22Å; V153-Y222 HydrophobicContact CG1-CE1 3.72Å; V153-Y222 HydrophobicContact CG2-CE1 4.06Å; V153-W228 HydrophobicContact CG2-CE3 4.44Å; V153-W228 HydrophobicContact CG2-CZ3 3.74Å; V153-F288 PolarHBondContact N-O 2.99Å; V153-F288 VanDerWaalsContact N-O 3.09Å; V153-V289 HydrophobicContact CB-CG2 4.26Å; V153-V289 HydrophobicContact CG1-CG1 4.33Å; V153-V289 CarbonylContact O-C 3.58Å; V153-V289 WeakPolarHBondContact O-CA 3.37Å; V153-W290 PolarHBondContact O-N 2.99Å
154	V	98.5	Very high	94.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.1	172	180	0	0	0	0	109.2	F132 R133 W290 I304	F132-V154 CarbonylContact C-O 3.58Å; F132-V154 WeakPolarHBondContact CA-O 3.47Å; R133-V154 PolarHBondContact N-O 3.1Å; R133-V154 PolarHBondContact O-N 3.43Å; V154-W290 CarbonylContact C-O 3.55Å; V154-W290 WeakPolarHBondContact CA-O 3.34Å; V154-W290 HydrophobicContact CG2-CE3 4.29Å; V154-I304 HydrophobicContact CG2-CG1 3.88Å
155	G	98	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.4	168.2	0	0	0	0	0	109.9	V131 F215 W290 A291 C292	V131-G155 CarbonylContact O-C 3.52Å; V131-G155 WeakPolarHBondContact O-CA 3.32Å; G155-F215 WeakPolarHBondContact O-CE2 3.38Å; G155-F215 WeakPolarHBondContact O-CZ 3.41Å; G155-W290 PolarHBondContact N-O 3.47Å; G155-A291 CarbonylContact O-C 3.57Å; G155-A291 WeakPolarHBondContact O-CA 3.4Å; G155-C292 PolarHBondContact O-N 3.03Å
156	R	97.2	Very high	94.7	Very high	9 Å²	9	39 Å²	39	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.3	-179.4	173.7	-173.2	175	172.6	10.1	110.9	V131 A158 N294 D298	V131-R156 HydrophobicContact CB-CB 4.29Å; V131-R156 PolarHBondContact N-O 3.15Å; V131-R156 VanDerWaalsContact N-O 3.09Å; V131-R156 PolarHBondContact O-N 3.21Å; R156-A158 PolarHBondContact O-N 2.98Å; R156-N294 PolarHBondContact NE-O 2.88Å; R156-N294 VanDerWaalsContact NE-O 3.1Å; R156-N294 PolarHBondContact NE-OD1 3.32Å; R156-N294 PolarHBondContact NH2-OD1 3.36Å; R156-D298 IonicContact CZ-OD1 3.53Å; R156-D298 IonicContact CZ-OD2 2.81Å; R156-D298 IonicContact NH1-OD1 2.74Å; R156-D298 PolarHBondContact NH1-OD1 3.48Å; R156-D298 IonicContact NH1-OD2 2.68Å; R156-D298 PolarHBondContact NH1-OD2 3.47Å; R156-D298 VanDerWaalsContact NH2-CG 3.33Å; R156-D298 IonicContact NH2-OD1 2.75Å; R156-D298 IonicContact NH2-OD2 2.7Å; R156-D298 PolarHBondContact NH2-OD2 3.1Å
157	H	96	Very high	94.8	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	87.5	168.2	-171.2	-147	0	0	0	110.9	H159 N207 S211 F215 F246 C292 N294	H157-H159 PolarHBondContact O-N 3.11Å; H157-N207 PolarHBondContact CE1-OD1 3.44Å; H157-S211 PolarHBondContact NE2-O 2.91Å; H157-F215 HydrophobicContact CB-CD1 3.64Å; H157-F215 HydrophobicContact CB-CD2 4.07Å; H157-F215 HydrophobicContact CB-CE1 3.67Å; H157-F215 HydrophobicContact CB-CE2 4.06Å; H157-F215 HydrophobicContact CB-CG 3.87Å; H157-F215 HydrophobicContact CB-CZ 3.87Å; H157-F215 VanDerWaalsContact CD2-CB 3.48Å; H157-F215 WeakPolarHBondContact CD2-CB 3.42Å; H157-F215 AromaticContact CD2-CD1 3.93Å; H157-F215 AromaticContact CD2-CG 3.64Å; H157-F215 AromaticContact CG-CD1 3.79Å; H157-F215 AromaticContact CG-CG 3.92Å; H157-F246 AromaticContact CE1-CE1 3.69Å; H157-F246 AromaticContact CE1-CZ 3.62Å; H157-F246 AromaticContact ND1-CE1 3.27Å; H157-F246 VanDerWaalsContact ND1-CE1 3.27Å; H157-F246 WeakPolarHBondContact ND1-CE1 3.43Å; H157-F246 AromaticContact ND1-CZ 3.31Å; H157-F246 VanDerWaalsContact ND1-CZ 3.31Å; H157-F246 WeakPolarHBondContact ND1-CZ 3.39Å; H157-C292 PolarHBondContact N-O 3.43Å; H157-N294 WeakPolarHBondContact O-CA 3.49Å; H157-N294 WeakPolarHBondContact O-CB 3.37Å
158	A	92.5	Very high	94.9	Very high	11 Å²	11	43 Å²	43	9%	0.091	22%	0.222	C	C	.	.			trans	-78.8	44.5	-174.9	0	0	0	0	0	113.7	V131 R156	V131-A158 HydrophobicContact CG2-CB 3.77Å; R156-A158 PolarHBondContact O-N 2.98Å
159	H	92.7	Very high	95	Very high	43 Å²	43	47.9 Å²	47.9	20%	0.199	25%	0.252	C	S	.	.	S	Bend	trans	-140.8	148.1	179.6	-174.9	100	0	0	0	111.1	H157 N207	H157-H159 PolarHBondContact O-N 3.11Å; H159-N207 PolarHBondContact CD2-OD1 3.37Å; H159-N207 VanDerWaalsContact CD2-OD1 3.3Å
160	G	92.6	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	62.2	-147.4	172.9	0	0	0	0	0	113	Y206 N294	G160-Y206 VanDerWaalsContact CA-O 3.3Å; G160-Y206 WeakPolarHBondContact CA-O 3.33Å; G160-N294 PolarHBondContact O-ND2 3.09Å
161	D	94.3	Very high	95.2	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.027	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	53.8	-154.1	-178.2	-63.3	-20.4	0	0	0	112.1	Y163 K164 A165 M205 Y206 N207 Y242 N294	D161-Y163 PolarHBondContact O-N 2.93Å; D161-Y163 VanDerWaalsContact O-N 3.13Å; D161-K164 CarbonylContact O-C 3.55Å; D161-K164 PolarHBondContact O-N 3.34Å; D161-A165 PolarHBondContact O-N 3.09Å; D161-A165 VanDerWaalsContact O-N 3.11Å; D161-M205 HydrophobicContact CB-SD 4.44Å; D161-Y206 PolarHBondContact N-O 2.95Å; D161-N207 PolarHBondContact OD1-ND2 3.3Å; D161-Y242 PolarHBondContact N-OH 3.41Å; D161-Y242 WeakPolarHBondContact OD1-CE1 3.4Å; D161-Y242 VanDerWaalsContact OD1-CZ 3.28Å; D161-Y242 PolarHBondContact OD1-OH 3.39Å; D161-N294 HydrophobicContact CB-CB 3.87Å; D161-N294 WeakPolarHBondContact OD2-CB 3.42Å; D161-N294 PolarHBondContact OD2-N 3.3Å
162	Q	91.5	Very high	95.2	Very high	100 Å²	100	55.8 Å²	55.8	47%	0.467	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.9	-177.6	66.9	-175.5	70.5	0	0	114.8	K164 A165 Y295	Q162-K164 PolarHBondContact O-N 3.06Å; Q162-A165 PolarHBondContact O-N 3.46Å; Q162-Y295 VanDerWaalsContact CD-CB 3.46Å; Q162-Y295 HydrophobicContact CG-CD2 4.4Å; Q162-Y295 HydrophobicContact CG-CG 4.43Å; Q162-Y295 VanDerWaalsContact NE2-CE2 3.28Å
163	Y	89	Confident	95.2	Very high	102 Å²	102	62.6 Å²	62.6	40%	0.4	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-75	-11.4	178.3	-66.4	-97.1	0	0	0	112.7	D161 N294 Y295 D298	D161-Y163 PolarHBondContact O-N 2.93Å; D161-Y163 VanDerWaalsContact O-N 3.13Å; Y163-N294 HydrophobicContact CD2-CB 3.98Å; Y163-N294 VanDerWaalsContact CD2-ND2 3.31Å; Y163-N294 WeakPolarHBondContact CD2-ND2 3.47Å; Y163-N294 HydrophobicContact CE2-CB 4.31Å; Y163-Y295 HydrophobicContact CE2-CD2 4.27Å; Y163-D298 VanDerWaalsContact CZ-OD2 3.24Å; Y163-D298 WeakPolarHBondContact OH-CB 3.23Å; Y163-D298 VanDerWaalsContact OH-CG 3.29Å; Y163-D298 PolarHBondContact OH-OD2 2.99Å
164	K	89.8	Confident	95.2	Very high	50 Å²	50	64.2 Å²	64.2	22%	0.217	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-131.4	21.8	172.2	-63.2	-167.8	178.4	178	0	112.1	N125 D161 Q162 Y206	N125-K164 WeakPolarHBondContact OD1-CE 3.12Å; N125-K164 PolarHBondContact OD1-NZ 2.76Å; D161-K164 CarbonylContact O-C 3.55Å; D161-K164 PolarHBondContact O-N 3.34Å; Q162-K164 PolarHBondContact O-N 3.06Å; K164-Y206 HydrophobicContact CB-CE1 4.07Å; K164-Y206 WeakPolarHBondContact CD-OH 3.28Å
165	A	93.8	Very high	95.1	Very high	31 Å²	31	68 Å²	68	26%	0.256	35%	0.352	S	S	.	.			trans	-67.9	150.3	174.3	0	0	0	0	0	110	D161 Q162 S204 M205	D161-A165 PolarHBondContact O-N 3.09Å; D161-A165 VanDerWaalsContact O-N 3.11Å; Q162-A165 PolarHBondContact O-N 3.46Å; A165-S204 CarbonylContact C-O 3.54Å; A165-S204 WeakPolarHBondContact CA-O 3.45Å; A165-S204 WeakPolarHBondContact CB-O 3.45Å; A165-M205 HydrophobicContact CB-CB 4.07Å
166	T	94.9	Very high	95.1	Very high	111 Å²	111	69.7 Å²	69.7	68%	0.681	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	125.3	165.4	-56.8	0	0	0	0	107.4	L203 S204	T166-L203 WeakPolarHBondContact O-CA 3.41Å; T166-S204 PolarHBondContact N-O 3.41Å; T166-S204 PolarHBondContact O-N 3.43Å
167	D	95.4	Very high	95.1	Very high	127 Å²	127	73 Å²	73	68%	0.679	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	162.1	-177.6	65.7	-22	0	0	0	112.2	G202 L203	D167-G202 CarbonylContact C-O 3.5Å; D167-G202 WeakPolarHBondContact CA-O 3.4Å; D167-G202 WeakPolarHBondContact CB-O 3.5Å; D167-L203 HydrophobicContact CB-CB 4.04Å
168	M	96	Very high	95.2	Very high	107 Å²	107	77.1 Å²	77.1	53%	0.527	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.4	176.1	66.4	-177.1	-57.2	0	0	111.9	I170 I201 G202	M168-I170 HydrophobicContact CE-CD1 3.8Å; M168-I170 HydrophobicContact CG-CD1 3.78Å; M168-I170 HydrophobicContact SD-CD1 3.87Å; M168-I201 WeakPolarHBondContact O-CA 3.43Å; M168-G202 PolarHBondContact N-O 3.26Å; M168-G202 PolarHBondContact O-N 3.37Å
169	V	98.1	Very high	95.4	Very high	104 Å²	104	79.4 Å²	79.4	63%	0.63	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.3	171	-179.9	0	0	0	0	109.4	K171 I201	V169-K171 HydrophobicContact CG1-CG 4.48Å; V169-I201 HydrophobicContact CG2-CG2 4.38Å
170	I	97.8	Very high	95.6	Very high	28 Å²	28	83.8 Å²	83.8	14%	0.144	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.4	175.8	-51.2	-56.4	0	0	0	108.4	M168 E172 F196 G199 G200	M168-I170 HydrophobicContact CE-CD1 3.8Å; M168-I170 HydrophobicContact CG-CD1 3.78Å; M168-I170 HydrophobicContact SD-CD1 3.87Å; I170-E172 VanDerWaalsContact CG2-O 3.23Å; I170-E172 WeakPolarHBondContact CG2-O 3.4Å; I170-F196 HydrophobicContact CG1-CD2 4.35Å; I170-F196 HydrophobicContact CG1-CE1 4.46Å; I170-F196 HydrophobicContact CG1-CE2 4.02Å; I170-F196 HydrophobicContact CG1-CZ 4.08Å; I170-F196 HydrophobicContact CG2-CB 4.36Å; I170-F196 HydrophobicContact CG2-CD1 4.41Å; I170-F196 HydrophobicContact CG2-CD2 4.26Å; I170-F196 HydrophobicContact CG2-CG 4.09Å; I170-G199 CarbonylContact O-C 3.54Å; I170-G199 WeakPolarHBondContact O-CA 3.41Å; I170-G200 PolarHBondContact N-O 3.08Å; I170-G200 PolarHBondContact O-N 3.49Å
171	K	97.6	Very high	95.8	Very high	187 Å²	187	87.1 Å²	87.1	81%	0.813	45%	0.451	S	S	*	.			trans	-106.6	-14.7	-176.4	-66.8	-175.6	178.3	178.8	0	114.1	V169	V169-K171 HydrophobicContact CG1-CG 4.48Å
172	E	97.2	Very high	95.9	Very high	153 Å²	153	88.3 Å²	88.3	72%	0.715	46%	0.459	S	S	*	.	S	Bend	trans	-142.7	173.2	-174.2	65.2	-176.3	176.4	0	0	111.3	I170	I170-E172 VanDerWaalsContact CG2-O 3.23Å; I170-E172 WeakPolarHBondContact CG2-O 3.4Å
173	Q	98.1	Very high	96.2	Very high	142 Å²	142	93.9 Å²	93.9	66%	0.664	48%	0.481	S	S	*	.	S	Bend	trans	-68.4	145.7	180	-46.2	-171	45.9	0	0	110.5	F196	Q173-F196 CarbonylContact C-O 3.55Å; Q173-F196 WeakPolarHBondContact CA-O 3.45Å; Q173-F196 WeakPolarHBondContact CB-O 3.35Å
174	G	97.5	Very high	96.5	Very high	35 Å²	35	94.8 Å²	94.8	36%	0.361	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	174.7	-180	0	0	0	0	0	113.7	F196	G174-F196 PolarHBondContact N-O 2.96Å; G174-F196 WeakPolarHBondContact O-CB 3.5Å; G174-F196 PolarHBondContact O-N 3.4Å
175	V	97.5	Very high	96.7	Very high	79 Å²	79	95.5 Å²	95.5	48%	0.479	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.5	178.8	-176.3	0	0	0	0	109.7	E177 K192 E195	V175-E177 HydrophobicContact CG1-CG 3.84Å; V175-K192 HydrophobicContact CG1-CD 4.36Å; V175-K192 HydrophobicContact CG1-CG 4.02Å; V175-E195 HydrophobicContact CG2-CB 4.49Å; V175-E195 HydrophobicContact CG2-CG 4.22Å
176	L	97.9	Very high	96.6	Very high	36 Å²	36	96.3 Å²	96.3	19%	0.188	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.7	168	178.8	68.3	0	0	0	109.3	V193 F194 F196	L176-V193 HydrophobicContact CD2-CB 4.18Å; L176-V193 HydrophobicContact CD2-CG1 3.97Å; L176-V193 HydrophobicContact CG-CB 4.1Å; L176-V193 HydrophobicContact CG-CG1 4.44Å; L176-V193 WeakPolarHBondContact O-CB 3.47Å; L176-V193 PolarHBondContact O-N 3.06Å; L176-F194 PolarHBondContact N-O 3.36Å; L176-F194 PolarHBondContact O-N 3.02Å; L176-F196 HydrophobicContact CB-CD2 4.15Å; L176-F196 HydrophobicContact CB-CE2 3.67Å; L176-F196 HydrophobicContact CD2-CE2 3.93Å; L176-F196 HydrophobicContact CD2-CZ 4.43Å; L176-F196 HydrophobicContact CG-CE2 4.41Å
177	E	97.5	Very high	96.6	Very high	80 Å²	80	97.3 Å²	97.3	37%	0.374	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.2	178.8	-56.8	-171.2	116.7	0	0	110.8	V175 V179 R190 V191	V175-E177 HydrophobicContact CG1-CG 3.84Å; E177-V179 HydrophobicContact CB-CG2 4.16Å; E177-R190 IonicContact OE2-CZ 2.78Å; E177-R190 IonicContact OE2-NH1 2.8Å; E177-R190 PolarHBondContact OE2-NH1 3.34Å; E177-V191 CarbonylContact C-O 3.58Å; E177-V191 WeakPolarHBondContact CA-O 3.48Å
178	L	96.6	Very high	96.7	Very high	89 Å²	89	96.3 Å²	96.3	47%	0.466	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.3	163.7	-174.6	66.2	0	0	0	108.1	V191 V193 S204	L178-V191 PolarHBondContact N-O 2.98Å; L178-V191 PolarHBondContact O-N 3.4Å; L178-V193 HydrophobicContact CB-CG2 3.92Å; L178-S204 WeakPolarHBondContact CD1-OG 3.4Å
179	V	97.3	Very high	96.7	Very high	58 Å²	58	97.7 Å²	97.7	35%	0.352	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.4	-176.6	-170.6	0	0	0	0	109.8	E177 E188 K189 R190	E177-V179 HydrophobicContact CB-CG2 4.16Å; V179-E188 HydrophobicContact CG1-CB 4.03Å; V179-E188 HydrophobicContact CG1-CG 4.27Å; V179-K189 WeakPolarHBondContact CA-O 3.49Å; V179-R190 HydrophobicContact CB-CG 4.46Å; V179-R190 HydrophobicContact CG1-CG 3.96Å; V179-R190 HydrophobicContact CG2-CG 3.96Å
180	F	97	Very high	96.7	Very high	136 Å²	136	98.9 Å²	98.9	60%	0.596	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.6	173.2	178.9	-103.9	0	0	0	110.3	P182 K189	F180-P182 HydrophobicContact CD1-CG 3.97Å; F180-P182 HydrophobicContact CE1-CB 4.08Å; F180-P182 HydrophobicContact CE1-CG 3.8Å; F180-P182 WeakPolarHBondContact O-CD 3.39Å; F180-K189 PolarHBondContact N-O 2.93Å; F180-K189 PolarHBondContact O-N 2.92Å
181	T	97.4	Very high	96.6	Very high	70 Å²	70	101.1 Å²	101.1	43%	0.429	53%	0.528	S	S	.	.			trans	-111.4	101.8	-179.4	-49.1	0	0	0	0	109.4	K183 E188	T181-K183 PolarHBondContact O-N 3.22Å; T181-E188 HydrophobicContact CG2-CG 4.28Å
182	P	96.7	Very high	96.6	Very high	30 Å²	30	97.7 Å²	97.7	20%	0.195	51%	0.513	C	S	.	.			trans	-64.9	133.3	178.8	-14.8	28.7	0	0	0	110.6	F180 S184 G186 L187	F180-P182 HydrophobicContact CD1-CG 3.97Å; F180-P182 HydrophobicContact CE1-CB 4.08Å; F180-P182 HydrophobicContact CE1-CG 3.8Å; F180-P182 WeakPolarHBondContact O-CD 3.39Å; P182-S184 PolarHBondContact O-N 3.4Å; P182-G186 WeakPolarHBondContact O-CA 3.36Å; P182-G186 PolarHBondContact O-N 3.47Å; P182-L187 WeakPolarHBondContact CD-O 3.3Å
183	K	96.3	Very high	96.6	Very high	217 Å²	217	94.5 Å²	94.5	94%	0.943	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.5	177.1	-68.8	-175.2	178.8	179.9	0	113.4	T181	T181-K183 PolarHBondContact O-N 3.22Å
184	S	95.4	Very high	96.5	Very high	120 Å²	120	93.2 Å²	93.2	84%	0.839	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-40.5	-175.6	51.7	0	0	0	0	113.6	P182	P182-S184 PolarHBondContact O-N 3.4Å
185	S	94.6	Very high	96.6	Very high	66 Å²	66	96 Å²	96	46%	0.462	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-26.4	-178.4	62.7	0	0	0	0	113.3	L187	S185-L187 PolarHBondContact O-N 3.27Å; S185-L187 VanDerWaalsContact O-N 3.07Å; S185-L187 PolarHBondContact OG-N 3.16Å
186	G	92.6	Very high	96.6	Very high	47 Å²	47	93.3 Å²	93.3	49%	0.485	48%	0.481	S	S	.	.			trans	66.6	-2.8	-168.9	0	0	0	0	0	114.3	P182 E188	P182-G186 WeakPolarHBondContact O-CA 3.36Å; P182-G186 PolarHBondContact O-N 3.47Å; G186-E188 PolarHBondContact O-N 2.94Å
187	L	94.8	Very high	96.6	Very high	133 Å²	133	97.7 Å²	97.7	70%	0.696	51%	0.505	S	S	*	.			trans	-84.6	115	-177.2	-65.3	176.9	0	0	0	110.3	P182 S185	P182-L187 WeakPolarHBondContact CD-O 3.3Å; S185-L187 PolarHBondContact O-N 3.27Å; S185-L187 VanDerWaalsContact O-N 3.07Å; S185-L187 PolarHBondContact OG-N 3.16Å
188	E	97	Very high	96.5	Very high	105 Å²	105	95.3 Å²	95.3	49%	0.491	50%	0.502	S	S	.	.			trans	-62.2	135.2	179.9	-57.6	-172	151.4	0	0	112.2	V179 T181 G186 R190	V179-E188 HydrophobicContact CG1-CB 4.03Å; V179-E188 HydrophobicContact CG1-CG 4.27Å; T181-E188 HydrophobicContact CG2-CG 4.28Å; G186-E188 PolarHBondContact O-N 2.94Å; E188-R190 IonicContact OE1-NH2 2.8Å; E188-R190 IonicContact OE2-CZ 2.9Å; E188-R190 IonicContact OE2-NE 3.41Å; E188-R190 PolarHBondContact OE2-NE 2.95Å; E188-R190 IonicContact OE2-NH2 3.75Å; E188-R190 PolarHBondContact OE2-NH2 3.26Å
189	K	96.1	Very high	96.5	Very high	136 Å²	136	94 Å²	94	59%	0.591	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.1	164.5	-177.1	177.5	179.6	179.8	0	108.2	V179 F180	V179-K189 WeakPolarHBondContact CA-O 3.49Å; F180-K189 PolarHBondContact N-O 2.93Å; F180-K189 PolarHBondContact O-N 2.92Å
190	R	97.1	Very high	96.5	Very high	129 Å²	129	92.4 Å²	92.4	49%	0.487	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.8	178.2	-61.5	-176.7	168.9	-109.1	-2.5	110.3	E177 V179 E188	E177-R190 IonicContact OE2-CZ 2.78Å; E177-R190 IonicContact OE2-NH1 2.8Å; E177-R190 PolarHBondContact OE2-NH1 3.34Å; V179-R190 HydrophobicContact CB-CG 4.46Å; V179-R190 HydrophobicContact CG1-CG 3.96Å; V179-R190 HydrophobicContact CG2-CG 3.96Å; E188-R190 IonicContact OE1-NH2 2.8Å; E188-R190 IonicContact OE2-CZ 2.9Å; E188-R190 IonicContact OE2-NE 3.41Å; E188-R190 PolarHBondContact OE2-NE 2.95Å; E188-R190 IonicContact OE2-NH2 3.75Å; E188-R190 PolarHBondContact OE2-NH2 3.26Å
191	V	96.2	Very high	96.5	Very high	76 Å²	76	92.2 Å²	92.2	46%	0.461	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118	173.5	-176.9	0	0	0	0	107.7	E177 L178 V193	E177-V191 CarbonylContact C-O 3.58Å; E177-V191 WeakPolarHBondContact CA-O 3.48Å; L178-V191 PolarHBondContact N-O 2.98Å; L178-V191 PolarHBondContact O-N 3.4Å; V191-V193 PolarHBondContact O-N 3.23Å
192	K	97.5	Very high	96.5	Very high	115 Å²	115	89.5 Å²	89.5	50%	0.5	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122.9	173.2	-176.7	176.9	-178.3	176	0	109.2	V175 E195	V175-K192 HydrophobicContact CG1-CD 4.36Å; V175-K192 HydrophobicContact CG1-CG 4.02Å; K192-E195 IonicContact NZ-OE2 3.82Å; K192-E195 PolarHBondContact NZ-OE2 3.44Å
193	V	96.7	Very high	96.5	Very high	85 Å²	85	93.7 Å²	93.7	52%	0.515	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-53.7	174	177.2	0	0	0	0	109	L176 L178 V191	L176-V193 HydrophobicContact CD2-CB 4.18Å; L176-V193 HydrophobicContact CD2-CG1 3.97Å; L176-V193 HydrophobicContact CG-CB 4.1Å; L176-V193 HydrophobicContact CG-CG1 4.44Å; L176-V193 WeakPolarHBondContact O-CB 3.47Å; L176-V193 PolarHBondContact O-N 3.06Å; L178-V193 HydrophobicContact CB-CG2 3.92Å; V191-V193 PolarHBondContact O-N 3.23Å
194	F	97.9	Very high	96.5	Very high	116 Å²	116	85.8 Å²	85.8	51%	0.509	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	158	-177.4	-168.6	-110.4	0	0	0	111.6	L176 F196	L176-F194 PolarHBondContact N-O 3.36Å; L176-F194 PolarHBondContact O-N 3.02Å; F194-F196 HydrophobicContact CB-CE2 4.38Å; F194-F196 AromaticContact CD1-CD1 3.85Å; F194-F196 HydrophobicContact CD1-CD1 3.85Å; F194-F196 AromaticContact CD1-CD2 3.87Å; F194-F196 HydrophobicContact CD1-CD2 3.87Å; F194-F196 AromaticContact CD1-CE1 3.83Å; F194-F196 HydrophobicContact CD1-CE1 3.83Å; F194-F196 AromaticContact CD1-CE2 3.87Å; F194-F196 HydrophobicContact CD1-CE2 3.87Å; F194-F196 AromaticContact CD1-CG 3.86Å; F194-F196 HydrophobicContact CD1-CG 3.86Å; F194-F196 AromaticContact CD1-CZ 3.85Å; F194-F196 HydrophobicContact CD1-CZ 3.85Å; F194-F196 AromaticContact CE1-CD1 3.92Å; F194-F196 HydrophobicContact CE1-CD1 3.92Å; F194-F196 HydrophobicContact CE1-CE1 4.12Å; F194-F196 HydrophobicContact CE1-CG 4.18Å
195	E	98.1	Very high	96.6	Very high	94 Å²	94	82.6 Å²	82.6	44%	0.439	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.7	169.7	178.3	168.2	-166.5	0	0	109	V175 K192	V175-E195 HydrophobicContact CG2-CB 4.49Å; V175-E195 HydrophobicContact CG2-CG 4.22Å; K192-E195 IonicContact NZ-OE2 3.82Å; K192-E195 PolarHBondContact NZ-OE2 3.44Å
196	F	97.8	Very high	96.6	Very high	21 Å²	21	84.8 Å²	84.8	9%	0.092	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.1	179.9	-72.8	-83.2	0	0	0	110.3	I170 Q173 G174 L176 F194 G198	I170-F196 HydrophobicContact CG1-CD2 4.35Å; I170-F196 HydrophobicContact CG1-CE1 4.46Å; I170-F196 HydrophobicContact CG1-CE2 4.02Å; I170-F196 HydrophobicContact CG1-CZ 4.08Å; I170-F196 HydrophobicContact CG2-CB 4.36Å; I170-F196 HydrophobicContact CG2-CD1 4.41Å; I170-F196 HydrophobicContact CG2-CD2 4.26Å; I170-F196 HydrophobicContact CG2-CG 4.09Å; Q173-F196 CarbonylContact C-O 3.55Å; Q173-F196 WeakPolarHBondContact CA-O 3.45Å; Q173-F196 WeakPolarHBondContact CB-O 3.35Å; G174-F196 PolarHBondContact N-O 2.96Å; G174-F196 WeakPolarHBondContact O-CB 3.5Å; G174-F196 PolarHBondContact O-N 3.4Å; L176-F196 HydrophobicContact CB-CD2 4.15Å; L176-F196 HydrophobicContact CB-CE2 3.67Å; L176-F196 HydrophobicContact CD2-CE2 3.93Å; L176-F196 HydrophobicContact CD2-CZ 4.43Å; L176-F196 HydrophobicContact CG-CE2 4.41Å; F194-F196 HydrophobicContact CB-CE2 4.38Å; F194-F196 AromaticContact CD1-CD1 3.85Å; F194-F196 HydrophobicContact CD1-CD1 3.85Å; F194-F196 AromaticContact CD1-CD2 3.87Å; F194-F196 HydrophobicContact CD1-CD2 3.87Å; F194-F196 AromaticContact CD1-CE1 3.83Å; F194-F196 HydrophobicContact CD1-CE1 3.83Å; F194-F196 AromaticContact CD1-CE2 3.87Å; F194-F196 HydrophobicContact CD1-CE2 3.87Å; F194-F196 AromaticContact CD1-CG 3.86Å; F194-F196 HydrophobicContact CD1-CG 3.86Å; F194-F196 AromaticContact CD1-CZ 3.85Å; F194-F196 HydrophobicContact CD1-CZ 3.85Å; F194-F196 AromaticContact CE1-CD1 3.92Å; F194-F196 HydrophobicContact CE1-CD1 3.92Å; F194-F196 HydrophobicContact CE1-CE1 4.12Å; F194-F196 HydrophobicContact CE1-CG 4.18Å; F196-G198 VanDerWaalsContact C-N 3.33Å
197	N	97.3	Very high	96.8	Very high	129 Å²	129	84 Å²	84	69%	0.69	44%	0.443	S	S	*	.	S	Bend	trans	-94.2	12.3	168.4	-63.6	-35.6	0	0	0	112.3
198	G	96.1	Very high	96.9	Very high	30 Å²	30	80.2 Å²	80.2	31%	0.309	43%	0.426	S	S	.	.	S	Bend	trans	178	-166.3	-176.8	0	0	0	0	0	111.3	F196	F196-G198 VanDerWaalsContact C-N 3.33Å
199	G	96.7	Very high	96.9	Very high	60 Å²	60	78.4 Å²	78.4	62%	0.619	42%	0.419	S	S	*	.			trans	-64	158.1	177.9	0	0	0	0	0	113.6	I170	I170-G199 CarbonylContact O-C 3.54Å; I170-G199 WeakPolarHBondContact O-CA 3.41Å
200	G	97.6	Very high	96.9	Very high	26 Å²	26	79.9 Å²	79.9	27%	0.268	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-162.1	-178.9	0	0	0	0	0	113.1	I170	I170-G200 PolarHBondContact N-O 3.08Å; I170-G200 PolarHBondContact O-N 3.49Å
201	I	98	Very high	96.8	Very high	132 Å²	132	74.8 Å²	74.8	68%	0.677	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	147.5	177.7	54.9	175.8	0	0	0	109.3	M168 V169	M168-I201 WeakPolarHBondContact O-CA 3.43Å; V169-I201 HydrophobicContact CG2-CG2 4.38Å
202	G	97.2	Very high	96.8	Very high	12 Å²	12	71.3 Å²	71.3	12%	0.124	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.1	174.2	0	0	0	0	0	110	D167 M168	D167-G202 CarbonylContact C-O 3.5Å; D167-G202 WeakPolarHBondContact CA-O 3.4Å; D167-G202 WeakPolarHBondContact CB-O 3.5Å; M168-G202 PolarHBondContact N-O 3.26Å; M168-G202 PolarHBondContact O-N 3.37Å
203	L	96.4	Very high	96.8	Very high	118 Å²	118	68 Å²	68	62%	0.618	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.8	174	75	92.4	0	0	0	110.4	T166 D167	T166-L203 WeakPolarHBondContact O-CA 3.41Å; D167-L203 HydrophobicContact CB-CB 4.04Å
204	S	96.4	Very high	96.6	Very high	52 Å²	52	64.8 Å²	64.8	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.8	168.6	-175.6	0	0	0	0	109.5	A165 T166 L178	A165-S204 CarbonylContact C-O 3.54Å; A165-S204 WeakPolarHBondContact CA-O 3.45Å; A165-S204 WeakPolarHBondContact CB-O 3.45Å; T166-S204 PolarHBondContact N-O 3.41Å; T166-S204 PolarHBondContact O-N 3.43Å; L178-S204 WeakPolarHBondContact CD1-OG 3.4Å
205	M	96	Very high	96.6	Very high	53 Å²	53	59.3 Å²	59.3	26%	0.261	34%	0.337	S	S	.	.			trans	-132.5	158.6	177.8	66.3	-179	-178.9	0	0	110.3	D161 A165 L239 Y242	D161-M205 HydrophobicContact CB-SD 4.44Å; A165-M205 HydrophobicContact CB-CB 4.07Å; M205-L239 HydrophobicContact CE-CD1 4.24Å; M205-Y242 HydrophobicContact CE-CE1 4.29Å; M205-Y242 HydrophobicContact CG-CE2 4.16Å
206	Y	96.2	Very high	96.6	Very high	111 Å²	111	54.9 Å²	54.9	44%	0.435	32%	0.316	S	S	.	.			trans	-140	162.1	-175.6	71.7	-87.1	0	0	0	111.7	G160 D161 K164 Y242	G160-Y206 VanDerWaalsContact CA-O 3.3Å; G160-Y206 WeakPolarHBondContact CA-O 3.33Å; D161-Y206 PolarHBondContact N-O 2.95Å; K164-Y206 HydrophobicContact CB-CE1 4.07Å; K164-Y206 WeakPolarHBondContact CD-OH 3.28Å; Y206-Y242 PolarHBondContact O-OH 3.23Å; Y206-Y242 VanDerWaalsContact O-OH 3.07Å
207	N	96.9	Very high	96.5	Very high	31 Å²	31	58.2 Å²	58.2	17%	0.166	33%	0.328	C	S	.	.			trans	-144.9	169.3	165.7	-111.2	-58.2	0	0	0	109.5	H157 H159 D161 S211 I212 Y242 F246	H157-N207 PolarHBondContact CE1-OD1 3.44Å; H159-N207 PolarHBondContact CD2-OD1 3.37Å; H159-N207 VanDerWaalsContact CD2-OD1 3.3Å; D161-N207 PolarHBondContact OD1-ND2 3.3Å; N207-S211 PolarHBondContact OD1-OG 3.21Å; N207-I212 HydrophobicContact CB-CD1 4.31Å; N207-Y242 HydrophobicContact CB-CE2 4.42Å; N207-Y242 PolarHBondContact ND2-OH 2.86Å; N207-F246 HydrophobicContact CB-CE2 4.24Å; N207-F246 HydrophobicContact CB-CZ 4.42Å
208	T	96.3	Very high	96.4	Very high	54 Å²	54	52.9 Å²	52.9	33%	0.331	30%	0.3	S	S	.	.			trans	-122.7	147.4	-179.3	66.9	0	0	0	0	109.9	E210 S211 I212	T208-E210 VanDerWaalsContact C-N 3.26Å; T208-E210 PolarHBondContact O-N 2.81Å; T208-S211 PolarHBondContact N-OG 2.87Å; T208-S211 PolarHBondContact O-N 2.85Å; T208-S211 PolarHBondContact O-OG 2.79Å; T208-S211 VanDerWaalsContact OG1-CB 3.24Å; T208-S211 WeakPolarHBondContact OG1-CB 3.31Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.08Å; T208-S211 PolarHBondContact OG1-OG 2.8Å; T208-I212 VanDerWaalsContact O-CG1 3.3Å; T208-I212 WeakPolarHBondContact O-CG1 3.28Å; T208-I212 PolarHBondContact O-N 2.78Å; T208-I212 VanDerWaalsContact O-N 3.12Å
209	D	97.5	Very high	96.5	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-43.1	175	-72.8	-12.3	0	0	0	111	S211 I212 Y213 R245 I249	D209-S211 PolarHBondContact O-N 3.48Å; D209-I212 PolarHBondContact O-N 3.24Å; D209-I212 VanDerWaalsContact O-N 3.13Å; D209-Y213 HydrophobicContact CB-CD2 4.2Å; D209-Y213 HydrophobicContact CB-CE2 4.21Å; D209-Y213 WeakPolarHBondContact O-CB 3.44Å; D209-Y213 WeakPolarHBondContact O-CD2 3.46Å; D209-Y213 PolarHBondContact O-N 3.13Å; D209-R245 VanDerWaalsContact CG-NH2 3.34Å; D209-R245 IonicContact OD1-CZ 3.17Å; D209-R245 IonicContact OD1-NE 2.94Å; D209-R245 PolarHBondContact OD1-NE 3.44Å; D209-R245 IonicContact OD1-NH2 3.1Å; D209-R245 IonicContact OD2-CZ 2.72Å; D209-R245 IonicContact OD2-NE 3.95Å; D209-R245 IonicContact OD2-NH2 2.94Å; D209-R245 PolarHBondContact OD2-NH2 3.46Å; D209-I249 HydrophobicContact CB-CD1 4.18Å
210	E	95.1	Very high	96.6	Very high	167 Å²	167	48.6 Å²	48.6	78%	0.78	26%	0.256	S	S	*	.	H	α-helix	trans	-53.8	-49	177.1	-176.5	-175.7	177	0	0	112.3	T208 I212 Y213 G214	T208-E210 VanDerWaalsContact C-N 3.26Å; T208-E210 PolarHBondContact O-N 2.81Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.43Å; E210-Y213 PolarHBondContact O-N 3.22Å; E210-G214 PolarHBondContact O-N 3.03Å
211	S	94.6	Very high	96.5	Very high	22 Å²	22	50.6 Å²	50.6	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-34.5	179.4	68.1	0	0	0	0	112.5	H157 N207 T208 D209 F215	H157-S211 PolarHBondContact NE2-O 2.91Å; N207-S211 PolarHBondContact OD1-OG 3.21Å; T208-S211 PolarHBondContact N-OG 2.87Å; T208-S211 PolarHBondContact O-N 2.85Å; T208-S211 PolarHBondContact O-OG 2.79Å; T208-S211 VanDerWaalsContact OG1-CB 3.24Å; T208-S211 WeakPolarHBondContact OG1-CB 3.31Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.08Å; T208-S211 PolarHBondContact OG1-OG 2.8Å; D209-S211 PolarHBondContact O-N 3.48Å; S211-F215 WeakPolarHBondContact O-CB 3.27Å; S211-F215 PolarHBondContact O-N 3.16Å; S211-F215 VanDerWaalsContact O-N 3.09Å
212	I	97.2	Very high	96.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-73.3	-41.7	178	-60.9	168.6	0	0	0	110.5	N207 T208 D209 E210 F215 A216 R245 F246 I249	N207-I212 HydrophobicContact CB-CD1 4.31Å; T208-I212 VanDerWaalsContact O-CG1 3.3Å; T208-I212 WeakPolarHBondContact O-CG1 3.28Å; T208-I212 PolarHBondContact O-N 2.78Å; T208-I212 VanDerWaalsContact O-N 3.12Å; D209-I212 PolarHBondContact O-N 3.24Å; D209-I212 VanDerWaalsContact O-N 3.13Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.43Å; I212-F215 WeakPolarHBondContact O-CB 3.49Å; I212-F215 PolarHBondContact O-N 3.28Å; I212-A216 WeakPolarHBondContact O-CB 3.33Å; I212-A216 PolarHBondContact O-N 3.11Å; I212-R245 HydrophobicContact CD1-CG 4.27Å; I212-F246 HydrophobicContact CD1-CD1 4.46Å; I212-F246 HydrophobicContact CD1-CD2 3.79Å; I212-F246 HydrophobicContact CD1-CE1 4.38Å; I212-F246 HydrophobicContact CD1-CE2 3.68Å; I212-F246 HydrophobicContact CD1-CG 4.19Å; I212-F246 HydrophobicContact CD1-CZ 4.01Å; I212-F246 HydrophobicContact CG1-CD1 4.14Å; I212-F246 HydrophobicContact CG1-CD2 4.29Å; I212-F246 HydrophobicContact CG1-CE1 3.83Å; I212-F246 HydrophobicContact CG1-CE2 3.98Å; I212-F246 HydrophobicContact CG1-CG 4.37Å; I212-F246 HydrophobicContact CG1-CZ 3.75Å; I212-F246 HydrophobicContact CG2-CD1 3.88Å; I212-F246 HydrophobicContact CG2-CE1 4.3Å; I212-F246 HydrophobicContact CG2-CG 4.17Å; I212-I249 HydrophobicContact CB-CD1 3.93Å; I212-I249 HydrophobicContact CB-CG2 4.41Å; I212-I249 HydrophobicContact CD1-CD1 4.25Å; I212-I249 HydrophobicContact CG2-CB 3.82Å; I212-I249 HydrophobicContact CG2-CD1 3.82Å; I212-I249 HydrophobicContact CG2-CG1 4.41Å; I212-I249 HydrophobicContact CG2-CG2 3.69Å
213	Y	96.5	Very high	96.4	Very high	44 Å²	44	46.1 Å²	46.1	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-45.2	174.4	-87.7	-66.6	0	0	0	112	D209 E210 F215 A216 R217 I249 E252 V253	D209-Y213 HydrophobicContact CB-CD2 4.2Å; D209-Y213 HydrophobicContact CB-CE2 4.21Å; D209-Y213 WeakPolarHBondContact O-CB 3.44Å; D209-Y213 WeakPolarHBondContact O-CD2 3.46Å; D209-Y213 PolarHBondContact O-N 3.13Å; E210-Y213 PolarHBondContact O-N 3.22Å; Y213-F215 VanDerWaalsContact C-N 3.32Å; Y213-F215 PolarHBondContact O-N 2.92Å; Y213-A216 PolarHBondContact O-N 3.12Å; Y213-R217 WeakPolarHBondContact O-CG 3.38Å; Y213-R217 PolarHBondContact O-N 3.09Å; Y213-I249 HydrophobicContact CD1-CG2 3.56Å; Y213-I249 HydrophobicContact CD2-CD1 4.26Å; Y213-I249 HydrophobicContact CD2-CG2 4.19Å; Y213-I249 HydrophobicContact CE1-CG2 3.65Å; Y213-I249 HydrophobicContact CE2-CD1 4Å; Y213-I249 HydrophobicContact CE2-CG1 4.12Å; Y213-I249 HydrophobicContact CE2-CG2 4.25Å; Y213-I249 HydrophobicContact CG-CG2 3.82Å; Y213-E252 PolarHBondContact OH-OE1 3.5Å; Y213-E252 PolarHBondContact OH-OE2 2.9Å; Y213-V253 HydrophobicContact CD1-CG2 3.52Å; Y213-V253 HydrophobicContact CE1-CG2 3.76Å
214	G	94	Very high	96.4	Very high	18 Å²	18	42 Å²	42	19%	0.186	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-41	175.9	0	0	0	0	0	112.1	E210 S218	E210-G214 PolarHBondContact O-N 3.03Å; G214-S218 WeakPolarHBondContact O-CB 3.32Å; G214-S218 PolarHBondContact O-N 3.41Å; G214-S218 PolarHBondContact O-OG 3.12Å
215	F	96.7	Very high	96.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-49.9	174.9	176.7	-135.8	0	0	0	112.6	T130 G155 H157 S211 I212 Y213 R217 S218 C219 L232 F246 F250 A291 C292	T130-F215 HydrophobicContact CG2-CD2 3.56Å; T130-F215 HydrophobicContact CG2-CE2 3.61Å; T130-F215 WeakPolarHBondContact OG1-CD2 3.38Å; G155-F215 WeakPolarHBondContact O-CE2 3.38Å; G155-F215 WeakPolarHBondContact O-CZ 3.41Å; H157-F215 HydrophobicContact CB-CD1 3.64Å; H157-F215 HydrophobicContact CB-CD2 4.07Å; H157-F215 HydrophobicContact CB-CE1 3.67Å; H157-F215 HydrophobicContact CB-CE2 4.06Å; H157-F215 HydrophobicContact CB-CG 3.87Å; H157-F215 HydrophobicContact CB-CZ 3.87Å; H157-F215 VanDerWaalsContact CD2-CB 3.48Å; H157-F215 WeakPolarHBondContact CD2-CB 3.42Å; H157-F215 AromaticContact CD2-CD1 3.93Å; H157-F215 AromaticContact CD2-CG 3.64Å; H157-F215 AromaticContact CG-CD1 3.79Å; H157-F215 AromaticContact CG-CG 3.92Å; S211-F215 WeakPolarHBondContact O-CB 3.27Å; S211-F215 PolarHBondContact O-N 3.16Å; S211-F215 VanDerWaalsContact O-N 3.09Å; I212-F215 WeakPolarHBondContact O-CB 3.49Å; I212-F215 PolarHBondContact O-N 3.28Å; Y213-F215 VanDerWaalsContact C-N 3.32Å; Y213-F215 PolarHBondContact O-N 2.92Å; F215-R217 PolarHBondContact O-N 2.89Å; F215-S218 PolarHBondContact O-N 2.95Å; F215-C219 WeakPolarHBondContact CE2-SG 3.4Å; F215-C219 PolarHBondContact O-N 3.09Å; F215-L232 HydrophobicContact CE1-CD1 4.35Å; F215-F246 HydrophobicContact CD1-CD1 4.42Å; F215-F246 HydrophobicContact CD1-CE1 4.22Å; F215-F246 HydrophobicContact CE1-CE1 4.49Å; F215-F250 AromaticContact CD1-CE2 3.51Å; F215-F250 HydrophobicContact CD1-CE2 3.51Å; F215-F250 AromaticContact CD1-CZ 3.5Å; F215-F250 HydrophobicContact CD1-CZ 3.5Å; F215-F250 VanDerWaalsContact CD1-CZ 3.5Å; F215-F250 AromaticContact CE1-CE2 3.8Å; F215-F250 HydrophobicContact CE1-CE2 3.8Å; F215-F250 AromaticContact CE1-CZ 3.5Å; F215-F250 HydrophobicContact CE1-CZ 3.5Å; F215-F250 VanDerWaalsContact CE1-CZ 3.5Å; F215-F250 HydrophobicContact CG-CE2 4.3Å; F215-F250 HydrophobicContact CG-CZ 4.09Å; F215-F250 HydrophobicContact CZ-CZ 4.12Å; F215-A291 HydrophobicContact CE1-CB 4.31Å; F215-A291 HydrophobicContact CE2-CB 4.36Å; F215-A291 HydrophobicContact CZ-CB 3.71Å; F215-C292 WeakPolarHBondContact CZ-O 3.14Å
216	A	97.6	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.4	-55.2	178.1	0	0	0	0	0	111.4	I212 Y213 S218 C219 F220 F250 V253	I212-A216 WeakPolarHBondContact O-CB 3.33Å; I212-A216 PolarHBondContact O-N 3.11Å; Y213-A216 PolarHBondContact O-N 3.12Å; A216-S218 VanDerWaalsContact C-N 3.33Å; A216-S218 PolarHBondContact O-N 2.83Å; A216-C219 PolarHBondContact O-N 2.99Å; A216-C219 VanDerWaalsContact O-N 3.15Å; A216-F220 HydrophobicContact CB-CD2 4.4Å; A216-F220 HydrophobicContact CB-CE2 4.28Å; A216-F220 WeakPolarHBondContact O-CD2 3.43Å; A216-F220 PolarHBondContact O-N 3.26Å; A216-F250 VanDerWaalsContact CA-CZ 3.44Å; A216-F250 HydrophobicContact CB-CD1 4.11Å; A216-F250 HydrophobicContact CB-CD2 3.59Å; A216-F250 HydrophobicContact CB-CE1 4.15Å; A216-F250 HydrophobicContact CB-CE2 3.62Å; A216-F250 HydrophobicContact CB-CG 3.84Å; A216-F250 HydrophobicContact CB-CZ 3.92Å; A216-V253 HydrophobicContact CB-CB 4.26Å; A216-V253 HydrophobicContact CB-CG1 4.32Å; A216-V253 HydrophobicContact CB-CG2 4.1Å
217	R	96.1	Very high	96.3	Very high	92 Å²	92	44.9 Å²	44.9	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-58.5	-43.5	179.8	-71	-173.6	174.7	93.8	5.7	112.3	Y213 F215 C219 F220 E221 V253 D257 Y258	Y213-R217 WeakPolarHBondContact O-CG 3.38Å; Y213-R217 PolarHBondContact O-N 3.09Å; F215-R217 PolarHBondContact O-N 2.89Å; R217-C219 VanDerWaalsContact C-N 3.33Å; R217-C219 PolarHBondContact O-N 2.92Å; R217-F220 PolarHBondContact O-N 2.77Å; R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.37Å; R217-V253 HydrophobicContact CG-CG1 3.87Å; R217-D257 IonicContact CZ-OD2 3.54Å; R217-D257 IonicContact NE-OD2 3.86Å; R217-D257 IonicContact NH2-OD2 2.92Å; R217-D257 PolarHBondContact NH2-OD2 3.38Å; R217-Y258 HydrophobicContact CG-CE2 4.49Å
218	S	95.8	Very high	96.4	Very high	16 Å²	16	45.9 Å²	45.9	11%	0.112	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-46.6	176.9	-58.6	0	0	0	0	111.5	T130 G214 F215 A216 Y222	T130-S218 WeakPolarHBondContact OG1-CB 3.14Å; T130-S218 PolarHBondContact OG1-OG 3.14Å; G214-S218 WeakPolarHBondContact O-CB 3.32Å; G214-S218 PolarHBondContact O-N 3.41Å; G214-S218 PolarHBondContact O-OG 3.12Å; F215-S218 PolarHBondContact O-N 2.95Å; A216-S218 VanDerWaalsContact C-N 3.33Å; A216-S218 PolarHBondContact O-N 2.83Å; S218-Y222 VanDerWaalsContact O-CB 3.29Å; S218-Y222 WeakPolarHBondContact O-CB 3.31Å; S218-Y222 PolarHBondContact O-N 3.02Å
219	C	97.8	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-41.7	179.5	-73.7	0	0	0	0	112.9	F215 A216 R217 Y222 A223 L230 F250 A291	F215-C219 WeakPolarHBondContact CE2-SG 3.4Å; F215-C219 PolarHBondContact O-N 3.09Å; A216-C219 PolarHBondContact O-N 2.99Å; A216-C219 VanDerWaalsContact O-N 3.15Å; R217-C219 VanDerWaalsContact C-N 3.33Å; R217-C219 PolarHBondContact O-N 2.92Å; C219-Y222 PolarHBondContact O-N 2.84Å; C219-A223 VanDerWaalsContact O-CB 3.29Å; C219-A223 WeakPolarHBondContact O-CB 3.5Å; C219-A223 PolarHBondContact O-N 3.26Å; C219-L230 HydrophobicContact CB-CD1 3.89Å; C219-L230 HydrophobicContact CB-CD2 3.95Å; C219-F250 HydrophobicContact CB-CE1 4.25Å; C219-A291 HydrophobicContact CB-CB 4.24Å
220	F	98.3	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-46.6	177.1	-77	-67.9	0	0	0	112.2	A216 R217 Y222 A223 L224 L230 F250 V253 Y254 Y258 F262 Y269	A216-F220 HydrophobicContact CB-CD2 4.4Å; A216-F220 HydrophobicContact CB-CE2 4.28Å; A216-F220 WeakPolarHBondContact O-CD2 3.43Å; A216-F220 PolarHBondContact O-N 3.26Å; R217-F220 PolarHBondContact O-N 2.77Å; F220-Y222 VanDerWaalsContact C-N 3.35Å; F220-Y222 PolarHBondContact O-N 3.45Å; F220-A223 PolarHBondContact O-N 3.16Å; F220-L224 VanDerWaalsContact O-CB 3.31Å; F220-L224 WeakPolarHBondContact O-CB 3.12Å; F220-L224 PolarHBondContact O-N 3.34Å; F220-L230 HydrophobicContact CD1-CD2 3.47Å; F220-L230 VanDerWaalsContact CD1-CD2 3.47Å; F220-L230 HydrophobicContact CD2-CD2 4.3Å; F220-L230 HydrophobicContact CE1-CD2 3.54Å; F220-L230 HydrophobicContact CE2-CD2 4.34Å; F220-L230 HydrophobicContact CG-CD2 3.84Å; F220-L230 HydrophobicContact CZ-CD2 3.95Å; F220-F250 HydrophobicContact CE2-CB 4.49Å; F220-F250 AromaticContact CE2-CD1 3.85Å; F220-F250 HydrophobicContact CE2-CD1 3.85Å; F220-F250 HydrophobicContact CE2-CG 4.4Å; F220-F250 HydrophobicContact CZ-CD1 4.11Å; F220-V253 HydrophobicContact CD2-CB 4.42Å; F220-V253 HydrophobicContact CD2-CG1 3.65Å; F220-V253 HydrophobicContact CE2-CB 4.16Å; F220-V253 HydrophobicContact CE2-CG1 3.89Å; F220-Y254 HydrophobicContact CD1-CD2 4.35Å; F220-Y254 AromaticContact CE1-CD2 3.64Å; F220-Y254 HydrophobicContact CE1-CD2 3.64Å; F220-Y254 HydrophobicContact CE1-CG 4.17Å; F220-Y254 HydrophobicContact CZ-CD2 4.26Å; F220-Y254 HydrophobicContact CZ-CG 4.35Å; F220-Y258 HydrophobicContact CB-CD1 3.68Å; F220-Y258 HydrophobicContact CB-CD2 3.63Å; F220-Y258 HydrophobicContact CB-CE1 3.68Å; F220-Y258 HydrophobicContact CB-CE2 3.63Å; F220-Y258 HydrophobicContact CB-CG 3.66Å; F220-Y258 HydrophobicContact CD1-CD2 4.28Å; F220-Y258 HydrophobicContact CD1-CG 4.11Å; F220-Y258 AromaticContact CD2-CD2 3.95Å; F220-Y258 HydrophobicContact CD2-CD2 3.95Å; F220-Y258 HydrophobicContact CD2-CE2 4.2Å; F220-Y258 HydrophobicContact CG-CD1 4.39Å; F220-Y258 AromaticContact CG-CD2 3.71Å; F220-Y258 HydrophobicContact CG-CD2 3.71Å; F220-Y258 HydrophobicContact CG-CE2 4.09Å; F220-Y258 AromaticContact CG-CG 3.89Å; F220-Y258 HydrophobicContact CG-CG 3.89Å; F220-F262 HydrophobicContact CD1-CE1 4.17Å; F220-F262 AromaticContact CD1-CE2 3.99Å; F220-F262 HydrophobicContact CD1-CE2 3.99Å; F220-F262 AromaticContact CD1-CZ 3.61Å; F220-F262 HydrophobicContact CD1-CZ 3.61Å; F220-F262 HydrophobicContact CE1-CZ 4.4Å; F220-Y269 HydrophobicContact CE1-CD1 4.22Å; F220-Y269 AromaticContact CE1-CD2 3.67Å; F220-Y269 HydrophobicContact CE1-CD2 3.67Å; F220-Y269 HydrophobicContact CE1-CE2 4.39Å; F220-Y269 AromaticContact CE1-CG 3.59Å; F220-Y269 HydrophobicContact CE1-CG 3.59Å; F220-Y269 HydrophobicContact CZ-CD1 4.06Å; F220-Y269 AromaticContact CZ-CD2 3.7Å; F220-Y269 HydrophobicContact CZ-CD2 3.7Å; F220-Y269 HydrophobicContact CZ-CE1 4.3Å; F220-Y269 AromaticContact CZ-CE2 3.96Å; F220-Y269 HydrophobicContact CZ-CE2 3.96Å; F220-Y269 AromaticContact CZ-CG 3.77Å; F220-Y269 HydrophobicContact CZ-CG 3.77Å
221	E	95.7	Very high	96.7	Very high	69 Å²	69	34.3 Å²	34.3	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-42.2	175.9	-70.9	-59.2	158.8	0	0	111.6	R217 L224 N225 Y258	R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.37Å; E221-L224 PolarHBondContact O-N 3.02Å; E221-N225 WeakPolarHBondContact O-CB 3.16Å; E221-N225 VanDerWaalsContact O-CG 3.23Å; E221-N225 PolarHBondContact O-N 2.77Å; E221-N225 PolarHBondContact O-ND2 3.29Å; E221-Y258 VanDerWaalsContact CD-OH 3.28Å; E221-Y258 HydrophobicContact CG-CE1 4.14Å; E221-Y258 VanDerWaalsContact CG-OH 3.29Å; E221-Y258 WeakPolarHBondContact CG-OH 3.3Å; E221-Y258 WeakPolarHBondContact OE1-CE1 3.46Å; E221-Y258 VanDerWaalsContact OE1-CZ 3.23Å; E221-Y258 PolarHBondContact OE1-OH 2.82Å
222	Y	95.3	Very high	96.9	Very high	50 Å²	50	33.2 Å²	33.2	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-45.9	178.5	-161.3	-74.2	0	0	0	111.6	F132 E134 V153 S218 C219 F220 N225 K226 V289	F132-Y222 HydrophobicContact CB-CD2 4.4Å; F132-Y222 HydrophobicContact CB-CE2 3.92Å; F132-Y222 HydrophobicContact CD1-CD1 4.2Å; F132-Y222 AromaticContact CD1-CD2 3.73Å; F132-Y222 HydrophobicContact CD1-CD2 3.73Å; F132-Y222 HydrophobicContact CD1-CE1 4.48Å; F132-Y222 HydrophobicContact CD1-CE2 4.03Å; F132-Y222 AromaticContact CD1-CG 3.83Å; F132-Y222 HydrophobicContact CD1-CG 3.83Å; F132-Y222 AromaticContact CD2-CD2 3.72Å; F132-Y222 HydrophobicContact CD2-CD2 3.72Å; F132-Y222 AromaticContact CD2-CE2 3.98Å; F132-Y222 HydrophobicContact CD2-CE2 3.98Å; F132-Y222 HydrophobicContact CE1-CD1 4.29Å; F132-Y222 AromaticContact CE1-CD2 3.83Å; F132-Y222 HydrophobicContact CE1-CD2 3.83Å; F132-Y222 AromaticContact CE1-CG 3.67Å; F132-Y222 HydrophobicContact CE1-CG 3.67Å; F132-Y222 AromaticContact CE2-CD2 3.81Å; F132-Y222 HydrophobicContact CE2-CD2 3.81Å; F132-Y222 HydrophobicContact CE2-CG 4.38Å; F132-Y222 AromaticContact CG-CD2 3.67Å; F132-Y222 HydrophobicContact CG-CD2 3.67Å; F132-Y222 AromaticContact CG-CE2 3.69Å; F132-Y222 HydrophobicContact CG-CE2 3.69Å; F132-Y222 HydrophobicContact CG-CG 4.26Å; F132-Y222 AromaticContact CZ-CD2 3.86Å; F132-Y222 HydrophobicContact CZ-CD2 3.86Å; F132-Y222 AromaticContact CZ-CG 3.96Å; F132-Y222 HydrophobicContact CZ-CG 3.96Å; E134-Y222 PolarHBondContact OE2-OH 2.65Å; V153-Y222 HydrophobicContact CB-CE1 4.38Å; V153-Y222 HydrophobicContact CG1-CD1 4.22Å; V153-Y222 HydrophobicContact CG1-CE1 3.72Å; V153-Y222 HydrophobicContact CG2-CE1 4.06Å; S218-Y222 VanDerWaalsContact O-CB 3.29Å; S218-Y222 WeakPolarHBondContact O-CB 3.31Å; S218-Y222 PolarHBondContact O-N 3.02Å; C219-Y222 PolarHBondContact O-N 2.84Å; F220-Y222 VanDerWaalsContact C-N 3.35Å; F220-Y222 PolarHBondContact O-N 3.45Å; Y222-N225 PolarHBondContact O-N 3.3Å; Y222-K226 HydrophobicContact CD1-CG 3.95Å; Y222-K226 HydrophobicContact CE1-CD 4.32Å; Y222-K226 HydrophobicContact CE1-CG 3.7Å; Y222-K226 WeakPolarHBondContact O-CG 3.36Å; Y222-K226 PolarHBondContact O-N 3.47Å; Y222-V289 HydrophobicContact CD1-CG2 4.03Å
223	A	97.9	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-42.2	177.4	0	0	0	0	0	112.1	C219 F220 K226 N227 W228 L230 F262 V289	C219-A223 VanDerWaalsContact O-CB 3.29Å; C219-A223 WeakPolarHBondContact O-CB 3.5Å; C219-A223 PolarHBondContact O-N 3.26Å; F220-A223 PolarHBondContact O-N 3.16Å; A223-K226 PolarHBondContact O-N 3.31Å; A223-N227 WeakPolarHBondContact O-CA 3.37Å; A223-N227 PolarHBondContact O-N 2.67Å; A223-W228 PolarHBondContact O-N 3.22Å; A223-L230 HydrophobicContact CB-CB 3.89Å; A223-F262 HydrophobicContact CB-CZ 4.01Å; A223-V289 HydrophobicContact CB-CB 4.12Å; A223-V289 HydrophobicContact CB-CG2 3.83Å
224	L	97	Very high	97.1	Very high	31 Å²	31	31 Å²	31	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.7	-174	63.6	0	0	0	111.7	F220 E221 K226 N227 K261 F262 I267	F220-L224 VanDerWaalsContact O-CB 3.31Å; F220-L224 WeakPolarHBondContact O-CB 3.12Å; F220-L224 PolarHBondContact O-N 3.34Å; E221-L224 PolarHBondContact O-N 3.02Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.84Å; L224-N227 PolarHBondContact O-N 3.22Å; L224-K261 HydrophobicContact CD1-CB 4.14Å; L224-K261 HydrophobicContact CD2-CB 4.13Å; L224-K261 HydrophobicContact CD2-CD 3.83Å; L224-F262 HydrophobicContact CB-CE2 4.12Å; L224-F262 HydrophobicContact CD1-CD2 4.33Å; L224-F262 HydrophobicContact CD1-CE2 4.39Å; L224-I267 HydrophobicContact CD1-CD1 4.26Å
225	N	94.2	Very high	97.2	Very high	131 Å²	131	32.9 Å²	32.9	70%	0.701	15%	0.153	S	C	*	.	H	α-helix	trans	-64.5	-34.6	177.7	-75.5	-38.9	0	0	0	113.1	E221 Y222 N227	E221-N225 WeakPolarHBondContact O-CB 3.16Å; E221-N225 VanDerWaalsContact O-CG 3.23Å; E221-N225 PolarHBondContact O-N 2.77Å; E221-N225 PolarHBondContact O-ND2 3.29Å; Y222-N225 PolarHBondContact O-N 3.3Å; N225-N227 VanDerWaalsContact C-N 3.27Å
226	K	95.2	Very high	97.2	Very high	66 Å²	66	34.2 Å²	34.2	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-79.3	-11.8	172.8	-70.8	-75.2	-174.6	162.8	0	113	E134 Y222 A223 L224 W228	E134-K226 IonicContact OE1-NZ 3.55Å; E134-K226 PolarHBondContact OE1-NZ 2.78Å; E134-K226 IonicContact OE2-NZ 3.42Å; E134-K226 PolarHBondContact OE2-NZ 2.96Å; Y222-K226 HydrophobicContact CD1-CG 3.95Å; Y222-K226 HydrophobicContact CE1-CD 4.32Å; Y222-K226 HydrophobicContact CE1-CG 3.7Å; Y222-K226 WeakPolarHBondContact O-CG 3.36Å; Y222-K226 PolarHBondContact O-N 3.47Å; A223-K226 PolarHBondContact O-N 3.31Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.84Å; K226-W228 VanDerWaalsContact C-N 3.3Å; K226-W228 HydrophobicContact CB-CB 4.23Å; K226-W228 HydrophobicContact CB-CD2 3.88Å; K226-W228 HydrophobicContact CB-CE3 4.18Å; K226-W228 HydrophobicContact CB-CG 3.92Å; K226-W228 HydrophobicContact CD-CH2 4.48Å; K226-W228 PolarHBondContact O-NE1 2.88Å
227	N	97.6	Very high	97.1	Very high	79 Å²	79	37.7 Å²	37.7	42%	0.422	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.1	-168.9	-167.4	31.2	0	0	0	112.7	A223 L224 N225 N265 I267	A223-N227 WeakPolarHBondContact O-CA 3.37Å; A223-N227 PolarHBondContact O-N 2.67Å; L224-N227 PolarHBondContact O-N 3.22Å; N225-N227 VanDerWaalsContact C-N 3.27Å; N227-N265 WeakPolarHBondContact OD1-CB 3.33Å; N227-N265 PolarHBondContact OD1-O 3.11Å; N227-I267 WeakPolarHBondContact O-CG2 3.11Å
228	W	98.2	Very high	97.1	Very high	53 Å²	53	39.2 Å²	39.2	20%	0.201	20%	0.196	C	C	.	.			trans	-121.9	153.8	-177.5	-70.3	-5	0	0	0	111.8	P151 V153 A223 K226 I267	P151-W228 HydrophobicContact CB-CH2 3.81Å; P151-W228 HydrophobicContact CB-CZ3 4.28Å; P151-W228 HydrophobicContact CG-CH2 3.7Å; P151-W228 HydrophobicContact CG-CZ2 4.38Å; V153-W228 HydrophobicContact CG2-CE3 4.44Å; V153-W228 HydrophobicContact CG2-CZ3 3.74Å; A223-W228 PolarHBondContact O-N 3.22Å; K226-W228 VanDerWaalsContact C-N 3.3Å; K226-W228 HydrophobicContact CB-CB 4.23Å; K226-W228 HydrophobicContact CB-CD2 3.88Å; K226-W228 HydrophobicContact CB-CE3 4.18Å; K226-W228 HydrophobicContact CB-CG 3.92Å; K226-W228 HydrophobicContact CD-CH2 4.48Å; K226-W228 PolarHBondContact O-NE1 2.88Å; W228-I267 WeakPolarHBondContact O-CD1 3.45Å
229	P	98.6	Very high	97.1	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.097	21%	0.206	C	C	.	.			trans	-64.5	153	171.5	28.2	-34.6	0	0	0	111.9	Y231 W268 G287 F288 V289	P229-Y231 HydrophobicContact CB-CE2 4.24Å; P229-Y231 HydrophobicContact CG-CE2 4.32Å; P229-W268 VanDerWaalsContact CA-O 3.31Å; P229-W268 WeakPolarHBondContact CA-O 3.36Å; P229-W268 HydrophobicContact CB-CD2 3.7Å; P229-W268 HydrophobicContact CB-CE3 3.99Å; P229-W268 HydrophobicContact CB-CG 4.23Å; P229-W268 HydrophobicContact CB-CH2 4.06Å; P229-W268 HydrophobicContact CB-CZ2 3.79Å; P229-W268 HydrophobicContact CB-CZ3 4.15Å; P229-W268 HydrophobicContact CG-CH2 3.88Å; P229-W268 HydrophobicContact CG-CZ2 3.86Å; P229-W268 HydrophobicContact CG-CZ3 4.24Å; P229-G287 WeakPolarHBondContact CD-O 3.25Å; P229-F288 HydrophobicContact CG-CB 3.91Å; P229-F288 WeakPolarHBondContact O-CA 3.44Å; P229-V289 PolarHBondContact O-N 2.83Å
230	L	98.8	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	178.2	176.3	64.9	0	0	0	110.9	C219 F220 A223 F250 F262 W268 Y269 E270 V289 A291	C219-L230 HydrophobicContact CB-CD1 3.89Å; C219-L230 HydrophobicContact CB-CD2 3.95Å; F220-L230 HydrophobicContact CD1-CD2 3.47Å; F220-L230 VanDerWaalsContact CD1-CD2 3.47Å; F220-L230 HydrophobicContact CD2-CD2 4.3Å; F220-L230 HydrophobicContact CE1-CD2 3.54Å; F220-L230 HydrophobicContact CE2-CD2 4.34Å; F220-L230 HydrophobicContact CG-CD2 3.84Å; F220-L230 HydrophobicContact CZ-CD2 3.95Å; A223-L230 HydrophobicContact CB-CB 3.89Å; L230-F250 HydrophobicContact CD2-CE1 4.49Å; L230-F262 HydrophobicContact CB-CE1 4.14Å; L230-W268 PolarHBondContact N-O 3.45Å; L230-Y269 HydrophobicContact CB-CD2 4.3Å; L230-Y269 HydrophobicContact CD2-CD2 4.03Å; L230-Y269 HydrophobicContact CG-CD2 4.04Å; L230-Y269 WeakPolarHBondContact O-CA 3.28Å; L230-E270 PolarHBondContact O-N 3.49Å; L230-V289 WeakPolarHBondContact CA-O 3.39Å; L230-V289 HydrophobicContact CD1-CB 3.8Å; L230-V289 HydrophobicContact CD1-CG1 3.66Å; L230-A291 HydrophobicContact CD1-CB 4.1Å
231	Y	98.8	Very high	97	Very high	28 Å²	28	57.5 Å²	57.5	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124	171.1	-63.4	-86.4	0	0	0	110.8	P229 W268 E270 R272 M277 F288 V289 W290 A291	P229-Y231 HydrophobicContact CB-CE2 4.24Å; P229-Y231 HydrophobicContact CG-CE2 4.32Å; Y231-W268 AromaticContact CE1-NE1 3.91Å; Y231-W268 AromaticContact CZ-NE1 3.56Å; Y231-W268 VanDerWaalsContact OH-CZ2 3.27Å; Y231-W268 WeakPolarHBondContact OH-CZ2 3.43Å; Y231-W268 PolarHBondContact OH-NE1 2.84Å; Y231-E270 VanDerWaalsContact CA-O 3.28Å; Y231-E270 WeakPolarHBondContact CA-O 3.42Å; Y231-E270 HydrophobicContact CD1-CB 3.82Å; Y231-E270 HydrophobicContact CE1-CB 3.85Å; Y231-E270 HydrophobicContact CE1-CG 4.5Å; Y231-E270 WeakPolarHBondContact CE1-OE2 3.5Å; Y231-R272 HydrophobicContact CD1-CG 4.39Å; Y231-M277 HydrophobicContact CD1-CE 4.14Å; Y231-M277 HydrophobicContact CD1-SD 4.09Å; Y231-M277 HydrophobicContact CD2-CE 3.67Å; Y231-M277 HydrophobicContact CE2-CE 4.35Å; Y231-M277 HydrophobicContact CG-CE 3.54Å; Y231-M277 HydrophobicContact CG-SD 4.03Å; Y231-F288 HydrophobicContact CD2-CB 3.96Å; Y231-F288 AromaticContact CD2-CD2 3.8Å; Y231-F288 HydrophobicContact CD2-CD2 3.8Å; Y231-F288 AromaticContact CD2-CG 3.99Å; Y231-F288 HydrophobicContact CD2-CG 3.99Å; Y231-F288 HydrophobicContact CE2-CB 3.85Å; Y231-F288 HydrophobicContact CE2-CD2 4.27Å; Y231-F288 HydrophobicContact CE2-CG 4.01Å; Y231-V289 PolarHBondContact N-O 3.38Å; Y231-W290 CarbonylContact O-C 3.58Å; Y231-A291 PolarHBondContact O-N 2.66Å
232	L	98.8	Very high	97.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	161.6	172.3	68.9	0	0	0	108.6	F215 T234 F246 F250 Y269 E270 H271 R272 A291	F215-L232 HydrophobicContact CE1-CD1 4.35Å; L232-T234 HydrophobicContact CD1-CG2 4.08Å; L232-T234 HydrophobicContact CD2-CG2 4.18Å; L232-T234 HydrophobicContact CG-CG2 4.05Å; L232-F246 HydrophobicContact CD2-CB 4.45Å; L232-F250 HydrophobicContact CB-CD1 3.94Å; L232-F250 HydrophobicContact CB-CE1 4.17Å; L232-F250 HydrophobicContact CB-CG 4.36Å; L232-F250 HydrophobicContact CD1-CD1 4.41Å; L232-F250 HydrophobicContact CD1-CD2 4.31Å; L232-F250 HydrophobicContact CD1-CE1 4.11Å; L232-F250 HydrophobicContact CD1-CE2 4.01Å; L232-F250 HydrophobicContact CD1-CG 4.49Å; L232-F250 HydrophobicContact CD1-CZ 3.9Å; L232-F250 HydrophobicContact CD2-CB 3.8Å; L232-F250 HydrophobicContact CD2-CD1 4.07Å; L232-F250 HydrophobicContact CD2-CD2 3.75Å; L232-F250 HydrophobicContact CD2-CE2 4.3Å; L232-F250 HydrophobicContact CD2-CG 3.62Å; L232-F250 HydrophobicContact CG-CD1 4.34Å; L232-F250 HydrophobicContact CG-CE1 4.49Å; L232-F250 HydrophobicContact CG-CG 4.36Å; L232-Y269 HydrophobicContact CB-CE2 3.93Å; L232-E270 PolarHBondContact N-O 2.73Å; L232-H271 WeakPolarHBondContact O-CA 3.13Å; L232-R272 PolarHBondContact O-N 2.92Å; L232-A291 HydrophobicContact CD1-CB 4.14Å
233	S	98.5	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.5	173	-61.1	0	0	0	0	113.9	R272 M277 W290 A291	S233-R272 VanDerWaalsContact CA-O 3.27Å; S233-R272 WeakPolarHBondContact CA-O 3.26Å; S233-M277 WeakPolarHBondContact OG-CB 3.15Å; S233-M277 WeakPolarHBondContact OG-CG 3.3Å; S233-W290 PolarHBondContact OG-NE1 2.89Å; S233-A291 PolarHBondContact N-O 3.15Å
234	T	98	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-179.3	177.8	72.7	0	0	0	0	110.8	L232 D243 F246 H271 R272 L273 I274 K293	L232-T234 HydrophobicContact CD1-CG2 4.08Å; L232-T234 HydrophobicContact CD2-CG2 4.18Å; L232-T234 HydrophobicContact CG-CG2 4.05Å; T234-D243 WeakPolarHBondContact CB-OD2 3.3Å; T234-F246 HydrophobicContact CG2-CB 4.05Å; T234-H271 PolarHBondContact OG1-NE2 3.29Å; T234-R272 PolarHBondContact N-O 2.8Å; T234-L273 CarbonylContact O-C 3.54Å; T234-L273 VanDerWaalsContact O-CA 3.31Å; T234-L273 WeakPolarHBondContact O-CA 3.29Å; T234-I274 PolarHBondContact O-N 3.34Å; T234-K293 HydrophobicContact CG2-CG 4.33Å
235	K	96.8	Very high	97.3	Very high	59 Å²	59	57.5 Å²	57.5	26%	0.257	28%	0.275	S	S	.	.			trans	-118.2	49	172.9	-158.4	79.4	-175.1	-173.8	0	111.2	T237 I238 L239 D243 I274 D275	K235-T237 PolarHBondContact O-N 3.39Å; K235-T237 VanDerWaalsContact O-N 3.08Å; K235-I238 HydrophobicContact CD-CG1 4.49Å; K235-I238 HydrophobicContact CG-CB 3.94Å; K235-I238 HydrophobicContact CG-CG1 3.7Å; K235-I238 PolarHBondContact O-N 3.45Å; K235-L239 PolarHBondContact O-N 2.8Å; K235-D243 WeakPolarHBondContact CA-OD2 3.36Å; K235-D243 PolarHBondContact N-OD2 3.34Å; K235-I274 HydrophobicContact CB-CG2 4.25Å; K235-I274 HydrophobicContact CD-CG2 3.95Å; K235-D275 IonicContact NZ-OD1 2.65Å; K235-D275 PolarHBondContact NZ-OD1 3.36Å; K235-D275 IonicContact NZ-OD2 3.94Å; K235-D275 PolarHBondContact NZ-OD2 2.86Å
236	N	96.4	Very high	97.5	Very high	29 Å²	29	51.3 Å²	51.3	16%	0.155	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.9	-176.8	73.3	-64.1	0	0	0	114.9	I238 K240 D243 H271 L273	N236-I238 VanDerWaalsContact C-N 3.27Å; N236-K240 VanDerWaalsContact O-CA 3.22Å; N236-K240 WeakPolarHBondContact O-CA 3.21Å; N236-K240 PolarHBondContact O-N 3.47Å; N236-D243 HydrophobicContact CB-CB 3.93Å; N236-H271 PolarHBondContact OD1-CE1 3Å; N236-L273 WeakPolarHBondContact OD1-CD2 3.16Å
237	T	95.2	Very high	97.7	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.9	172	50.5	0	0	0	0	112.5	K235 L273	K235-T237 PolarHBondContact O-N 3.39Å; K235-T237 VanDerWaalsContact O-N 3.08Å; T237-L273 HydrophobicContact CG2-CD1 4.18Å; T237-L273 HydrophobicContact CG2-CD2 3.99Å
238	I	96.9	Very high	97.7	Very high	124 Å²	124	51.6 Å²	51.6	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-54.7	176.3	-55.6	-57	0	0	0	110	K235 N236 K240	K235-I238 HydrophobicContact CD-CG1 4.49Å; K235-I238 HydrophobicContact CG-CB 3.94Å; K235-I238 HydrophobicContact CG-CG1 3.7Å; K235-I238 PolarHBondContact O-N 3.45Å; N236-I238 VanDerWaalsContact C-N 3.27Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 3.29Å; I238-K240 VanDerWaalsContact O-N 3.15Å
239	L	95.2	Very high	97.7	Very high	63 Å²	63	49.1 Å²	49.1	33%	0.33	23%	0.234	S	C	.	.	S	Bend	trans	-90.3	65	177.8	-68.9	178.4	0	0	0	110.8	M205 K235 Q241 Y242 D243 G244	M205-L239 HydrophobicContact CE-CD1 4.24Å; K235-L239 PolarHBondContact O-N 2.8Å; L239-Q241 VanDerWaalsContact C-N 3.34Å; L239-Q241 PolarHBondContact O-N 3.42Å; L239-Y242 PolarHBondContact O-N 3.27Å; L239-D243 HydrophobicContact CB-CB 3.82Å; L239-D243 WeakPolarHBondContact CD1-OD1 3.21Å; L239-D243 WeakPolarHBondContact O-CB 3.47Å; L239-D243 PolarHBondContact O-N 3.33Å; L239-G244 PolarHBondContact O-N 2.91Å
240	K	96.6	Very high	97.7	Very high	161 Å²	161	48.4 Å²	48.4	70%	0.7	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-44.1	-170.4	-64.7	-178.1	-177.8	178.2	0	114.8	N236 I238 G244	N236-K240 VanDerWaalsContact O-CA 3.22Å; N236-K240 WeakPolarHBondContact O-CA 3.21Å; N236-K240 PolarHBondContact O-N 3.47Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 3.29Å; I238-K240 VanDerWaalsContact O-N 3.15Å; K240-G244 VanDerWaalsContact O-CA 3.27Å; K240-G244 WeakPolarHBondContact O-CA 3.29Å; K240-G244 PolarHBondContact O-N 3.45Å
241	Q	96.9	Very high	97.7	Very high	177 Å²	177	52 Å²	52	83%	0.827	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-48.3	179.9	-68.6	-179.5	86.4	0	0	111.3	L239 R245	L239-Q241 VanDerWaalsContact C-N 3.34Å; L239-Q241 PolarHBondContact O-N 3.42Å; Q241-R245 WeakPolarHBondContact O-CB 3.41Å; Q241-R245 PolarHBondContact O-N 3.35Å
242	Y	97.6	Very high	97.7	Very high	46 Å²	46	54.1 Å²	54.1	18%	0.18	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-58	-173.5	-166	-77.9	0	0	0	112.1	D161 M205 Y206 N207 L239 G244 R245 F246	D161-Y242 PolarHBondContact N-OH 3.41Å; D161-Y242 WeakPolarHBondContact OD1-CE1 3.4Å; D161-Y242 VanDerWaalsContact OD1-CZ 3.28Å; D161-Y242 PolarHBondContact OD1-OH 3.39Å; M205-Y242 HydrophobicContact CE-CE1 4.29Å; M205-Y242 HydrophobicContact CG-CE2 4.16Å; Y206-Y242 PolarHBondContact O-OH 3.23Å; Y206-Y242 VanDerWaalsContact O-OH 3.07Å; N207-Y242 HydrophobicContact CB-CE2 4.42Å; N207-Y242 PolarHBondContact ND2-OH 2.86Å; L239-Y242 PolarHBondContact O-N 3.27Å; Y242-G244 VanDerWaalsContact C-N 3.34Å; Y242-R245 WeakPolarHBondContact O-CB 3.36Å; Y242-R245 PolarHBondContact O-N 3.02Å; Y242-F246 HydrophobicContact CD1-CE2 4.28Å; Y242-F246 AromaticContact CE1-CE2 3.91Å; Y242-F246 HydrophobicContact CE1-CE2 3.91Å; Y242-F246 WeakPolarHBondContact O-CD2 3.43Å
243	D	98.1	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-77.7	-23.9	178.7	-76.3	23.8	0	0	0	111.8	T234 K235 N236 L239 R245 F246 K247 K293	T234-D243 WeakPolarHBondContact CB-OD2 3.3Å; K235-D243 WeakPolarHBondContact CA-OD2 3.36Å; K235-D243 PolarHBondContact N-OD2 3.34Å; N236-D243 HydrophobicContact CB-CB 3.93Å; L239-D243 HydrophobicContact CB-CB 3.82Å; L239-D243 WeakPolarHBondContact CD1-OD1 3.21Å; L239-D243 WeakPolarHBondContact O-CB 3.47Å; L239-D243 PolarHBondContact O-N 3.33Å; D243-R245 VanDerWaalsContact C-N 3.29Å; D243-F246 PolarHBondContact O-N 3.34Å; D243-K247 PolarHBondContact O-N 3.37Å; D243-K247 VanDerWaalsContact O-N 3.15Å; D243-K293 VanDerWaalsContact CG-NZ 3.32Å; D243-K293 WeakPolarHBondContact OD1-CE 3.36Å; D243-K293 IonicContact OD1-NZ 2.66Å; D243-K293 PolarHBondContact OD1-NZ 2.88Å; D243-K293 WeakPolarHBondContact OD2-CE 3.44Å; D243-K293 IonicContact OD2-NZ 3.53Å; D243-K293 PolarHBondContact OD2-NZ 3.15Å; D243-K293 VanDerWaalsContact OD2-NZ 3.15Å
244	G	98.3	Very high	97.7	Very high	6 Å²	6	55.3 Å²	55.3	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-41.5	167.8	0	0	0	0	0	111.5	L239 K240 Y242 F246 K247 D248	L239-G244 PolarHBondContact O-N 2.91Å; K240-G244 VanDerWaalsContact O-CA 3.27Å; K240-G244 WeakPolarHBondContact O-CA 3.29Å; K240-G244 PolarHBondContact O-N 3.45Å; Y242-G244 VanDerWaalsContact C-N 3.34Å; G244-F246 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.33Å; G244-K247 WeakPolarHBondContact O-CB 3.39Å; G244-K247 PolarHBondContact O-N 3.09Å; G244-K247 VanDerWaalsContact O-N 3.13Å; G244-D248 WeakPolarHBondContact O-CB 3.42Å; G244-D248 PolarHBondContact O-N 3.03Å
245	R	98.5	Very high	97.8	Very high	97 Å²	97	59.4 Å²	59.4	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-39.9	178.1	-166.5	58.8	172.1	164.3	1	112.9	D209 I212 Q241 Y242 D243 I249	D209-R245 VanDerWaalsContact CG-NH2 3.34Å; D209-R245 IonicContact OD1-CZ 3.17Å; D209-R245 IonicContact OD1-NE 2.94Å; D209-R245 PolarHBondContact OD1-NE 3.44Å; D209-R245 IonicContact OD1-NH2 3.1Å; D209-R245 IonicContact OD2-CZ 2.72Å; D209-R245 IonicContact OD2-NE 3.95Å; D209-R245 IonicContact OD2-NH2 2.94Å; D209-R245 PolarHBondContact OD2-NH2 3.46Å; I212-R245 HydrophobicContact CD1-CG 4.27Å; Q241-R245 WeakPolarHBondContact O-CB 3.41Å; Q241-R245 PolarHBondContact O-N 3.35Å; Y242-R245 WeakPolarHBondContact O-CB 3.36Å; Y242-R245 PolarHBondContact O-N 3.02Å; D243-R245 VanDerWaalsContact C-N 3.29Å; R245-I249 HydrophobicContact CG-CD1 3.93Å; R245-I249 WeakPolarHBondContact O-CB 3.31Å; R245-I249 WeakPolarHBondContact O-CG1 3.26Å; R245-I249 PolarHBondContact O-N 2.82Å
246	F	98.7	Very high	97.8	Very high	1 Å²	1	62 Å²	62	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-49.5	171.8	-82.8	-99.8	0	0	0	112	H157 N207 I212 F215 L232 T234 Y242 D243 G244 D248 F250 K293	H157-F246 AromaticContact CE1-CE1 3.69Å; H157-F246 AromaticContact CE1-CZ 3.62Å; H157-F246 AromaticContact ND1-CE1 3.27Å; H157-F246 VanDerWaalsContact ND1-CE1 3.27Å; H157-F246 WeakPolarHBondContact ND1-CE1 3.43Å; H157-F246 AromaticContact ND1-CZ 3.31Å; H157-F246 VanDerWaalsContact ND1-CZ 3.31Å; H157-F246 WeakPolarHBondContact ND1-CZ 3.39Å; N207-F246 HydrophobicContact CB-CE2 4.24Å; N207-F246 HydrophobicContact CB-CZ 4.42Å; I212-F246 HydrophobicContact CD1-CD1 4.46Å; I212-F246 HydrophobicContact CD1-CD2 3.79Å; I212-F246 HydrophobicContact CD1-CE1 4.38Å; I212-F246 HydrophobicContact CD1-CE2 3.68Å; I212-F246 HydrophobicContact CD1-CG 4.19Å; I212-F246 HydrophobicContact CD1-CZ 4.01Å; I212-F246 HydrophobicContact CG1-CD1 4.14Å; I212-F246 HydrophobicContact CG1-CD2 4.29Å; I212-F246 HydrophobicContact CG1-CE1 3.83Å; I212-F246 HydrophobicContact CG1-CE2 3.98Å; I212-F246 HydrophobicContact CG1-CG 4.37Å; I212-F246 HydrophobicContact CG1-CZ 3.75Å; I212-F246 HydrophobicContact CG2-CD1 3.88Å; I212-F246 HydrophobicContact CG2-CE1 4.3Å; I212-F246 HydrophobicContact CG2-CG 4.17Å; F215-F246 HydrophobicContact CD1-CD1 4.42Å; F215-F246 HydrophobicContact CD1-CE1 4.22Å; F215-F246 HydrophobicContact CE1-CE1 4.49Å; L232-F246 HydrophobicContact CD2-CB 4.45Å; T234-F246 HydrophobicContact CG2-CB 4.05Å; Y242-F246 HydrophobicContact CD1-CE2 4.28Å; Y242-F246 AromaticContact CE1-CE2 3.91Å; Y242-F246 HydrophobicContact CE1-CE2 3.91Å; Y242-F246 WeakPolarHBondContact O-CD2 3.43Å; D243-F246 PolarHBondContact O-N 3.34Å; G244-F246 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.33Å; F246-D248 PolarHBondContact O-N 3.48Å; F246-F250 WeakPolarHBondContact O-CD2 3.2Å; F246-F250 PolarHBondContact O-N 2.99Å; F246-K293 HydrophobicContact CD1-CG 4.48Å; F246-K293 HydrophobicContact CD2-CD 4.49Å; F246-K293 HydrophobicContact CE1-CG 4.3Å; F246-K293 HydrophobicContact CE2-CD 4.34Å; F246-K293 HydrophobicContact CZ-CD 4.46Å; F246-K293 HydrophobicContact CZ-CG 4.42Å
247	K	98.6	Very high	97.9	Very high	70 Å²	70	63.5 Å²	63.5	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-49.3	179.8	-170.8	-165.8	77.6	170	0	111.2	D243 G244 F250 Q251 H271	D243-K247 PolarHBondContact O-N 3.37Å; D243-K247 VanDerWaalsContact O-N 3.15Å; G244-K247 WeakPolarHBondContact O-CB 3.39Å; G244-K247 PolarHBondContact O-N 3.09Å; G244-K247 VanDerWaalsContact O-N 3.13Å; K247-F250 PolarHBondContact O-N 3.18Å; K247-Q251 WeakPolarHBondContact O-CB 3.24Å; K247-Q251 PolarHBondContact O-N 2.81Å; K247-H271 HydrophobicContact CG-CB 4.12Å
248	D	98.7	Very high	98	Very high	82 Å²	82	60.5 Å²	60.5	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-42.7	-175.2	-62.5	-15.5	0	0	0	111.1	G244 F246 Q251 E252	G244-D248 WeakPolarHBondContact O-CB 3.42Å; G244-D248 PolarHBondContact O-N 3.03Å; F246-D248 PolarHBondContact O-N 3.48Å; D248-Q251 PolarHBondContact O-N 3.15Å; D248-E252 WeakPolarHBondContact O-CB 3.49Å; D248-E252 PolarHBondContact O-N 3.35Å
249	I	98.7	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-44.3	176.8	-72.5	173.3	0	0	0	111.7	D209 I212 Y213 R245 Q251 E252 V253	D209-I249 HydrophobicContact CB-CD1 4.18Å; I212-I249 HydrophobicContact CB-CD1 3.93Å; I212-I249 HydrophobicContact CB-CG2 4.41Å; I212-I249 HydrophobicContact CD1-CD1 4.25Å; I212-I249 HydrophobicContact CG2-CB 3.82Å; I212-I249 HydrophobicContact CG2-CD1 3.82Å; I212-I249 HydrophobicContact CG2-CG1 4.41Å; I212-I249 HydrophobicContact CG2-CG2 3.69Å; Y213-I249 HydrophobicContact CD1-CG2 3.56Å; Y213-I249 HydrophobicContact CD2-CD1 4.26Å; Y213-I249 HydrophobicContact CD2-CG2 4.19Å; Y213-I249 HydrophobicContact CE1-CG2 3.65Å; Y213-I249 HydrophobicContact CE2-CD1 4Å; Y213-I249 HydrophobicContact CE2-CG1 4.12Å; Y213-I249 HydrophobicContact CE2-CG2 4.25Å; Y213-I249 HydrophobicContact CG-CG2 3.82Å; R245-I249 HydrophobicContact CG-CD1 3.93Å; R245-I249 WeakPolarHBondContact O-CB 3.31Å; R245-I249 WeakPolarHBondContact O-CG1 3.26Å; R245-I249 PolarHBondContact O-N 2.82Å; I249-Q251 VanDerWaalsContact C-N 3.3Å; I249-Q251 PolarHBondContact O-N 2.87Å; I249-E252 PolarHBondContact O-N 3.35Å; I249-V253 HydrophobicContact CG2-CG2 4.35Å; I249-V253 WeakPolarHBondContact O-CG2 3.25Å; I249-V253 PolarHBondContact O-N 3.16Å
250	F	98.7	Very high	98.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176.9	-93.1	-113.8	0	0	0	111.8	F215 A216 C219 F220 L230 L232 F246 K247 V253 Y254 Y269 A291	F215-F250 AromaticContact CD1-CE2 3.51Å; F215-F250 HydrophobicContact CD1-CE2 3.51Å; F215-F250 AromaticContact CD1-CZ 3.5Å; F215-F250 HydrophobicContact CD1-CZ 3.5Å; F215-F250 VanDerWaalsContact CD1-CZ 3.5Å; F215-F250 AromaticContact CE1-CE2 3.8Å; F215-F250 HydrophobicContact CE1-CE2 3.8Å; F215-F250 AromaticContact CE1-CZ 3.5Å; F215-F250 HydrophobicContact CE1-CZ 3.5Å; F215-F250 VanDerWaalsContact CE1-CZ 3.5Å; F215-F250 HydrophobicContact CG-CE2 4.3Å; F215-F250 HydrophobicContact CG-CZ 4.09Å; F215-F250 HydrophobicContact CZ-CZ 4.12Å; A216-F250 VanDerWaalsContact CA-CZ 3.44Å; A216-F250 HydrophobicContact CB-CD1 4.11Å; A216-F250 HydrophobicContact CB-CD2 3.59Å; A216-F250 HydrophobicContact CB-CE1 4.15Å; A216-F250 HydrophobicContact CB-CE2 3.62Å; A216-F250 HydrophobicContact CB-CG 3.84Å; A216-F250 HydrophobicContact CB-CZ 3.92Å; C219-F250 HydrophobicContact CB-CE1 4.25Å; F220-F250 HydrophobicContact CE2-CB 4.49Å; F220-F250 AromaticContact CE2-CD1 3.85Å; F220-F250 HydrophobicContact CE2-CD1 3.85Å; F220-F250 HydrophobicContact CE2-CG 4.4Å; F220-F250 HydrophobicContact CZ-CD1 4.11Å; L230-F250 HydrophobicContact CD2-CE1 4.49Å; L232-F250 HydrophobicContact CB-CD1 3.94Å; L232-F250 HydrophobicContact CB-CE1 4.17Å; L232-F250 HydrophobicContact CB-CG 4.36Å; L232-F250 HydrophobicContact CD1-CD1 4.41Å; L232-F250 HydrophobicContact CD1-CD2 4.31Å; L232-F250 HydrophobicContact CD1-CE1 4.11Å; L232-F250 HydrophobicContact CD1-CE2 4.01Å; L232-F250 HydrophobicContact CD1-CG 4.49Å; L232-F250 HydrophobicContact CD1-CZ 3.9Å; L232-F250 HydrophobicContact CD2-CB 3.8Å; L232-F250 HydrophobicContact CD2-CD1 4.07Å; L232-F250 HydrophobicContact CD2-CD2 3.75Å; L232-F250 HydrophobicContact CD2-CE2 4.3Å; L232-F250 HydrophobicContact CD2-CG 3.62Å; L232-F250 HydrophobicContact CG-CD1 4.34Å; L232-F250 HydrophobicContact CG-CE1 4.49Å; L232-F250 HydrophobicContact CG-CG 4.36Å; F246-F250 WeakPolarHBondContact O-CD2 3.2Å; F246-F250 PolarHBondContact O-N 2.99Å; K247-F250 PolarHBondContact O-N 3.18Å; F250-V253 PolarHBondContact O-N 2.83Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 2.82Å; F250-Y269 HydrophobicContact CB-CE2 4.4Å; F250-Y269 WeakPolarHBondContact CB-OH 3.42Å; F250-Y269 AromaticContact CD1-CE2 3.97Å; F250-Y269 HydrophobicContact CD1-CE2 3.97Å; F250-A291 HydrophobicContact CE1-CB 3.92Å; F250-A291 HydrophobicContact CZ-CB 4.1Å
251	Q	98.8	Very high	98.3	Very high	76 Å²	76	56 Å²	56	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-41.1	176.7	-170.5	64.6	62.9	0	0	111.7	K247 D248 I249 Y254 N255	K247-Q251 WeakPolarHBondContact O-CB 3.24Å; K247-Q251 PolarHBondContact O-N 2.81Å; D248-Q251 PolarHBondContact O-N 3.15Å; I249-Q251 VanDerWaalsContact C-N 3.3Å; I249-Q251 PolarHBondContact O-N 2.87Å; Q251-Y254 PolarHBondContact O-N 3.3Å; Q251-N255 PolarHBondContact NE2-OD1 2.71Å; Q251-N255 WeakPolarHBondContact O-CB 3.3Å; Q251-N255 PolarHBondContact O-N 2.73Å; Q251-N255 PolarHBondContact O-ND2 2.88Å; Q251-N255 PolarHBondContact O-OD1 2.87Å
252	E	98.7	Very high	98.4	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-51.7	174.9	-179.2	176.2	165.5	0	0	111.3	Y213 D248 I249 Y254 N255 Q256	Y213-E252 PolarHBondContact OH-OE1 3.5Å; Y213-E252 PolarHBondContact OH-OE2 2.9Å; D248-E252 WeakPolarHBondContact O-CB 3.49Å; D248-E252 PolarHBondContact O-N 3.35Å; I249-E252 PolarHBondContact O-N 3.35Å; E252-Y254 VanDerWaalsContact C-N 3.33Å; E252-Y254 PolarHBondContact O-N 3.1Å; E252-N255 PolarHBondContact O-N 3.39Å; E252-Q256 HydrophobicContact CG-CG 4.45Å; E252-Q256 WeakPolarHBondContact O-CB 3.31Å; E252-Q256 VanDerWaalsContact O-CG 3.32Å; E252-Q256 WeakPolarHBondContact O-CG 3.21Å; E252-Q256 PolarHBondContact O-N 2.65Å; E252-Q256 PolarHBondContact OE1-NE2 2.86Å
253	V	98.4	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-42.4	178.4	171.9	0	0	0	0	111.4	Y213 A216 R217 F220 I249 F250 Q256 D257 Y258	Y213-V253 HydrophobicContact CD1-CG2 3.52Å; Y213-V253 HydrophobicContact CE1-CG2 3.76Å; A216-V253 HydrophobicContact CB-CB 4.26Å; A216-V253 HydrophobicContact CB-CG1 4.32Å; A216-V253 HydrophobicContact CB-CG2 4.1Å; R217-V253 HydrophobicContact CG-CG1 3.87Å; F220-V253 HydrophobicContact CD2-CB 4.42Å; F220-V253 HydrophobicContact CD2-CG1 3.65Å; F220-V253 HydrophobicContact CE2-CB 4.16Å; F220-V253 HydrophobicContact CE2-CG1 3.89Å; I249-V253 HydrophobicContact CG2-CG2 4.35Å; I249-V253 WeakPolarHBondContact O-CG2 3.25Å; I249-V253 PolarHBondContact O-N 3.16Å; F250-V253 PolarHBondContact O-N 2.83Å; V253-Q256 PolarHBondContact O-N 3.25Å; V253-D257 PolarHBondContact O-N 2.91Å; V253-Y258 HydrophobicContact CG1-CD2 3.77Å; V253-Y258 HydrophobicContact CG1-CE2 3.63Å
254	Y	98.6	Very high	98.4	Very high	25 Å²	25	56.1 Å²	56.1	10%	0.098	27%	0.274	C	S	.	.	I	π-helix	trans	-58.1	-53.6	176.1	177.3	-111.5	0	0	0	111.5	F220 F250 Q251 E252 Q256 Y258 Q259 F262 Y269	F220-Y254 HydrophobicContact CD1-CD2 4.35Å; F220-Y254 AromaticContact CE1-CD2 3.64Å; F220-Y254 HydrophobicContact CE1-CD2 3.64Å; F220-Y254 HydrophobicContact CE1-CG 4.17Å; F220-Y254 HydrophobicContact CZ-CD2 4.26Å; F220-Y254 HydrophobicContact CZ-CG 4.35Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 2.82Å; Q251-Y254 PolarHBondContact O-N 3.3Å; E252-Y254 VanDerWaalsContact C-N 3.33Å; E252-Y254 PolarHBondContact O-N 3.1Å; Y254-Q256 VanDerWaalsContact C-N 3.32Å; Y254-Q256 PolarHBondContact O-N 3Å; Y254-Y258 CarbonylContact O-C 3.36Å; Y254-Y258 PolarHBondContact O-N 3.11Å; Y254-Q259 HydrophobicContact CD1-CB 4.35Å; Y254-Q259 HydrophobicContact CE1-CB 3.99Å; Y254-Q259 HydrophobicContact CE1-CG 3.93Å; Y254-Q259 HydrophobicContact CE2-CB 4.31Å; Y254-Q259 WeakPolarHBondContact O-CB 3.17Å; Y254-Q259 PolarHBondContact O-N 3.46Å; Y254-F262 HydrophobicContact CE2-CB 3.97Å; Y254-F262 HydrophobicContact CE2-CD1 4.08Å; Y254-F262 AromaticContact CE2-CG 3.99Å; Y254-F262 HydrophobicContact CE2-CG 3.99Å; Y254-Y269 AromaticContact CD1-CD1 3.97Å; Y254-Y269 HydrophobicContact CD1-CD1 3.97Å; Y254-Y269 HydrophobicContact CD2-CD1 4.09Å; Y254-Y269 HydrophobicContact CD2-CG 4.11Å; Y254-Y269 AromaticContact CG-CD1 3.68Å; Y254-Y269 HydrophobicContact CG-CD1 3.68Å; Y254-Y269 HydrophobicContact CG-CG 4.18Å
255	N	98.6	Very high	98.4	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	29%	0.289	S	S	.	.	I	π-helix	trans	-62.2	-38.8	-176.9	-67.2	-6.7	0	0	0	112.1	Q251 E252	Q251-N255 PolarHBondContact NE2-OD1 2.71Å; Q251-N255 WeakPolarHBondContact O-CB 3.3Å; Q251-N255 PolarHBondContact O-N 2.73Å; Q251-N255 PolarHBondContact O-ND2 2.88Å; Q251-N255 PolarHBondContact O-OD1 2.87Å; E252-N255 PolarHBondContact O-N 3.39Å
256	Q	98.1	Very high	98.4	Very high	114 Å²	114	63.5 Å²	63.5	53%	0.533	31%	0.31	S	S	.	.	I	π-helix	trans	-76.4	-47.8	-177.7	-71.2	174.2	4.2	0	0	112.5	E252 V253 Y254	E252-Q256 HydrophobicContact CG-CG 4.45Å; E252-Q256 WeakPolarHBondContact O-CB 3.31Å; E252-Q256 VanDerWaalsContact O-CG 3.32Å; E252-Q256 WeakPolarHBondContact O-CG 3.21Å; E252-Q256 PolarHBondContact O-N 2.65Å; E252-Q256 PolarHBondContact OE1-NE2 2.86Å; V253-Q256 PolarHBondContact O-N 3.25Å; Y254-Q256 VanDerWaalsContact C-N 3.32Å; Y254-Q256 PolarHBondContact O-N 3Å
257	D	97.5	Very high	98.4	Very high	61 Å²	61	64.1 Å²	64.1	33%	0.326	31%	0.313	S	S	.	.	I	π-helix	trans	-117	-20.1	-159.9	-64.4	-29.3	0	0	0	114.4	R217 V253 K261	R217-D257 IonicContact CZ-OD2 3.54Å; R217-D257 IonicContact NE-OD2 3.86Å; R217-D257 IonicContact NH2-OD2 2.92Å; R217-D257 PolarHBondContact NH2-OD2 3.38Å; V253-D257 PolarHBondContact O-N 2.91Å; D257-K261 VanDerWaalsContact O-CE 3.31Å; D257-K261 WeakPolarHBondContact O-CE 3.19Å; D257-K261 PolarHBondContact O-NZ 3.39Å
258	Y	97.9	Very high	98.4	Very high	9 Å²	9	66.5 Å²	66.5	4%	0.035	32%	0.321	C	S	.	.	I	π-helix	trans	-129.4	-20.2	-165.7	-66.2	-79.6	0	0	0	116.2	R217 F220 E221 V253 Y254 T260 K261 F262	R217-Y258 HydrophobicContact CG-CE2 4.49Å; F220-Y258 HydrophobicContact CB-CD1 3.68Å; F220-Y258 HydrophobicContact CB-CD2 3.63Å; F220-Y258 HydrophobicContact CB-CE1 3.68Å; F220-Y258 HydrophobicContact CB-CE2 3.63Å; F220-Y258 HydrophobicContact CB-CG 3.66Å; F220-Y258 HydrophobicContact CD1-CD2 4.28Å; F220-Y258 HydrophobicContact CD1-CG 4.11Å; F220-Y258 AromaticContact CD2-CD2 3.95Å; F220-Y258 HydrophobicContact CD2-CD2 3.95Å; F220-Y258 HydrophobicContact CD2-CE2 4.2Å; F220-Y258 HydrophobicContact CG-CD1 4.39Å; F220-Y258 AromaticContact CG-CD2 3.71Å; F220-Y258 HydrophobicContact CG-CD2 3.71Å; F220-Y258 HydrophobicContact CG-CE2 4.09Å; F220-Y258 AromaticContact CG-CG 3.89Å; F220-Y258 HydrophobicContact CG-CG 3.89Å; E221-Y258 VanDerWaalsContact CD-OH 3.28Å; E221-Y258 HydrophobicContact CG-CE1 4.14Å; E221-Y258 VanDerWaalsContact CG-OH 3.29Å; E221-Y258 WeakPolarHBondContact CG-OH 3.3Å; E221-Y258 WeakPolarHBondContact OE1-CE1 3.46Å; E221-Y258 VanDerWaalsContact OE1-CZ 3.23Å; E221-Y258 PolarHBondContact OE1-OH 2.82Å; V253-Y258 HydrophobicContact CG1-CD2 3.77Å; V253-Y258 HydrophobicContact CG1-CE2 3.63Å; Y254-Y258 CarbonylContact O-C 3.36Å; Y254-Y258 PolarHBondContact O-N 3.11Å; Y258-T260 PolarHBondContact O-N 3.35Å; Y258-K261 HydrophobicContact CD1-CD 4.23Å; Y258-K261 WeakPolarHBondContact O-CB 3.35Å; Y258-K261 PolarHBondContact O-N 2.94Å; Y258-F262 HydrophobicContact CD1-CE2 4.08Å; Y258-F262 HydrophobicContact CG-CE2 4.38Å; Y258-F262 WeakPolarHBondContact O-CB 3.28Å; Y258-F262 WeakPolarHBondContact O-CD2 3.4Å; Y258-F262 PolarHBondContact O-N 3.24Å
259	Q	98.4	Very high	98.4	Very high	71 Å²	71	63.5 Å²	63.5	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-52.5	-56.4	-174.1	179.9	175.5	1.9	0	0	111.9	Y254 K261 F262 E263	Y254-Q259 HydrophobicContact CD1-CB 4.35Å; Y254-Q259 HydrophobicContact CE1-CB 3.99Å; Y254-Q259 HydrophobicContact CE1-CG 3.93Å; Y254-Q259 HydrophobicContact CE2-CB 4.31Å; Y254-Q259 WeakPolarHBondContact O-CB 3.17Å; Y254-Q259 PolarHBondContact O-N 3.46Å; Q259-K261 VanDerWaalsContact C-N 3.3Å; Q259-K261 PolarHBondContact O-N 3.03Å; Q259-F262 PolarHBondContact O-N 2.8Å; Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 VanDerWaalsContact CG-OE1 3.29Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.24Å; Q259-E263 PolarHBondContact NE2-OE1 3.4Å; Q259-E263 WeakPolarHBondContact O-CG 3.49Å; Q259-E263 PolarHBondContact O-N 2.87Å
260	T	98.5	Very high	98.4	Very high	94 Å²	94	66.4 Å²	66.4	58%	0.577	32%	0.317	S	S	*	.	H	α-helix	trans	-60.6	-37.6	178.5	-53.9	0	0	0	0	112.6	Y258 N264	Y258-T260 PolarHBondContact O-N 3.35Å; T260-N264 VanDerWaalsContact O-CB 3.29Å; T260-N264 WeakPolarHBondContact O-CB 3.36Å; T260-N264 PolarHBondContact O-N 3.25Å; T260-N264 PolarHBondContact O-ND2 3.35Å
261	K	98.1	Very high	98.3	Very high	88 Å²	88	68.3 Å²	68.3	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-66.1	-41.4	178.7	-61.9	175.3	-173.6	156.7	0	111	L224 D257 Y258 Q259 N265	L224-K261 HydrophobicContact CD1-CB 4.14Å; L224-K261 HydrophobicContact CD2-CB 4.13Å; L224-K261 HydrophobicContact CD2-CD 3.83Å; D257-K261 VanDerWaalsContact O-CE 3.31Å; D257-K261 WeakPolarHBondContact O-CE 3.19Å; D257-K261 PolarHBondContact O-NZ 3.39Å; Y258-K261 HydrophobicContact CD1-CD 4.23Å; Y258-K261 WeakPolarHBondContact O-CB 3.35Å; Y258-K261 PolarHBondContact O-N 2.94Å; Q259-K261 VanDerWaalsContact C-N 3.3Å; Q259-K261 PolarHBondContact O-N 3.03Å; K261-N265 WeakPolarHBondContact O-CB 3.05Å; K261-N265 PolarHBondContact O-N 3.49Å; K261-N265 PolarHBondContact O-ND2 3.34Å
262	F	98.5	Very high	98.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-46.9	179.3	-88.7	-126.2	0	0	0	111.3	F220 A223 L224 L230 Y254 Y258 Q259 N264 N265 K266 I267	F220-F262 HydrophobicContact CD1-CE1 4.17Å; F220-F262 AromaticContact CD1-CE2 3.99Å; F220-F262 HydrophobicContact CD1-CE2 3.99Å; F220-F262 AromaticContact CD1-CZ 3.61Å; F220-F262 HydrophobicContact CD1-CZ 3.61Å; F220-F262 HydrophobicContact CE1-CZ 4.4Å; A223-F262 HydrophobicContact CB-CZ 4.01Å; L224-F262 HydrophobicContact CB-CE2 4.12Å; L224-F262 HydrophobicContact CD1-CD2 4.33Å; L224-F262 HydrophobicContact CD1-CE2 4.39Å; L230-F262 HydrophobicContact CB-CE1 4.14Å; Y254-F262 HydrophobicContact CE2-CB 3.97Å; Y254-F262 HydrophobicContact CE2-CD1 4.08Å; Y254-F262 AromaticContact CE2-CG 3.99Å; Y254-F262 HydrophobicContact CE2-CG 3.99Å; Y258-F262 HydrophobicContact CD1-CE2 4.08Å; Y258-F262 HydrophobicContact CG-CE2 4.38Å; Y258-F262 WeakPolarHBondContact O-CB 3.28Å; Y258-F262 WeakPolarHBondContact O-CD2 3.4Å; Y258-F262 PolarHBondContact O-N 3.24Å; Q259-F262 PolarHBondContact O-N 2.8Å; F262-N264 PolarHBondContact O-N 3.28Å; F262-N265 CarbonylContact O-C 3.44Å; F262-N265 PolarHBondContact O-N 2.89Å; F262-N265 VanDerWaalsContact O-N 3.1Å; F262-K266 PolarHBondContact O-N 2.77Å; F262-I267 CarbonylContact C-O 3.34Å; F262-I267 HydrophobicContact CB-CG1 4.01Å; F262-I267 HydrophobicContact CD1-CB 4.49Å; F262-I267 HydrophobicContact CD1-CD1 3.89Å; F262-I267 HydrophobicContact CD1-CG1 3.77Å; F262-I267 HydrophobicContact CD2-CD1 4.16Å; F262-I267 HydrophobicContact CD2-CG1 4.49Å; F262-I267 HydrophobicContact CE1-CD1 3.98Å; F262-I267 HydrophobicContact CE1-CG1 4.31Å; F262-I267 HydrophobicContact CE2-CD1 4.25Å; F262-I267 HydrophobicContact CG-CD1 3.97Å; F262-I267 HydrophobicContact CG-CG1 3.85Å; F262-I267 HydrophobicContact CZ-CD1 4.15Å; F262-I267 WeakPolarHBondContact O-CG1 3.19Å; F262-I267 PolarHBondContact O-N 3.26Å; F262-I267 VanDerWaalsContact O-O 3.09Å
263	E	98.3	Very high	98.3	Very high	102 Å²	102	66.5 Å²	66.5	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-45.7	176.4	-71.9	170.8	177.7	0	0	111.6	Q259 N265 K266	Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 VanDerWaalsContact CG-OE1 3.29Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.24Å; Q259-E263 PolarHBondContact NE2-OE1 3.4Å; Q259-E263 WeakPolarHBondContact O-CG 3.49Å; Q259-E263 PolarHBondContact O-N 2.87Å; E263-N265 PolarHBondContact O-N 3.15Å; E263-K266 PolarHBondContact O-N 3.28Å
264	N	98.3	Very high	98.3	Very high	125 Å²	125	67.4 Å²	67.4	67%	0.668	32%	0.321	S	S	*	.	H	α-helix	trans	-61.6	-31.2	176.6	-74.2	-18.4	0	0	0	113.3	T260 F262	T260-N264 VanDerWaalsContact O-CB 3.29Å; T260-N264 WeakPolarHBondContact O-CB 3.36Å; T260-N264 PolarHBondContact O-N 3.25Å; T260-N264 PolarHBondContact O-ND2 3.35Å; F262-N264 PolarHBondContact O-N 3.28Å
265	N	98	Very high	98.1	Very high	71 Å²	71	70.4 Å²	70.4	38%	0.38	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.8	178.1	-79.7	-76.3	0	0	0	113.3	N227 K261 F262 E263 I267	N227-N265 WeakPolarHBondContact OD1-CB 3.33Å; N227-N265 PolarHBondContact OD1-O 3.11Å; K261-N265 WeakPolarHBondContact O-CB 3.05Å; K261-N265 PolarHBondContact O-N 3.49Å; K261-N265 PolarHBondContact O-ND2 3.34Å; F262-N265 CarbonylContact O-C 3.44Å; F262-N265 PolarHBondContact O-N 2.89Å; F262-N265 VanDerWaalsContact O-N 3.1Å; E263-N265 PolarHBondContact O-N 3.15Å; N265-I267 HydrophobicContact CB-CD1 4.26Å; N265-I267 HydrophobicContact CB-CG1 3.97Å; N265-I267 PolarHBondContact O-N 2.81Å
266	K	98.2	Very high	98.1	Very high	186 Å²	186	69.2 Å²	69.2	81%	0.809	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	33.6	-178	-52.5	179	-177.7	178.3	0	113.4	F262 E263	F262-K266 PolarHBondContact O-N 2.77Å; E263-K266 PolarHBondContact O-N 3.28Å
267	I	98.4	Very high	98.1	Very high	14 Å²	14	64 Å²	64	7%	0.072	31%	0.308	C	S	.	.			trans	-114.8	163.6	172	57.6	172.6	0	0	0	109.2	L224 N227 W228 F262 N265	L224-I267 HydrophobicContact CD1-CD1 4.26Å; N227-I267 WeakPolarHBondContact O-CG2 3.11Å; W228-I267 WeakPolarHBondContact O-CD1 3.45Å; F262-I267 CarbonylContact C-O 3.34Å; F262-I267 HydrophobicContact CB-CG1 4.01Å; F262-I267 HydrophobicContact CD1-CB 4.49Å; F262-I267 HydrophobicContact CD1-CD1 3.89Å; F262-I267 HydrophobicContact CD1-CG1 3.77Å; F262-I267 HydrophobicContact CD2-CD1 4.16Å; F262-I267 HydrophobicContact CD2-CG1 4.49Å; F262-I267 HydrophobicContact CE1-CD1 3.98Å; F262-I267 HydrophobicContact CE1-CG1 4.31Å; F262-I267 HydrophobicContact CE2-CD1 4.25Å; F262-I267 HydrophobicContact CG-CD1 3.97Å; F262-I267 HydrophobicContact CG-CG1 3.85Å; F262-I267 HydrophobicContact CZ-CD1 4.15Å; F262-I267 WeakPolarHBondContact O-CG1 3.19Å; F262-I267 PolarHBondContact O-N 3.26Å; F262-I267 VanDerWaalsContact O-O 3.09Å; N265-I267 HydrophobicContact CB-CD1 4.26Å; N265-I267 HydrophobicContact CB-CG1 3.97Å; N265-I267 PolarHBondContact O-N 2.81Å
268	W	98.6	Very high	98.1	Very high	120 Å²	120	63.2 Å²	63.2	46%	0.455	31%	0.305	S	S	.	.			trans	-134	163.2	-176.8	63.7	97.8	0	0	0	111.6	P229 L230 Y231	P229-W268 VanDerWaalsContact CA-O 3.31Å; P229-W268 WeakPolarHBondContact CA-O 3.36Å; P229-W268 HydrophobicContact CB-CD2 3.7Å; P229-W268 HydrophobicContact CB-CE3 3.99Å; P229-W268 HydrophobicContact CB-CG 4.23Å; P229-W268 HydrophobicContact CB-CH2 4.06Å; P229-W268 HydrophobicContact CB-CZ2 3.79Å; P229-W268 HydrophobicContact CB-CZ3 4.15Å; P229-W268 HydrophobicContact CG-CH2 3.88Å; P229-W268 HydrophobicContact CG-CZ2 3.86Å; P229-W268 HydrophobicContact CG-CZ3 4.24Å; L230-W268 PolarHBondContact N-O 3.45Å; Y231-W268 AromaticContact CE1-NE1 3.91Å; Y231-W268 AromaticContact CZ-NE1 3.56Å; Y231-W268 VanDerWaalsContact OH-CZ2 3.27Å; Y231-W268 WeakPolarHBondContact OH-CZ2 3.43Å; Y231-W268 PolarHBondContact OH-NE1 2.84Å
269	Y	98.7	Very high	98.1	Very high	19 Å²	19	64.6 Å²	64.6	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.6	168	164.9	-111.4	0	0	0	109.1	F220 L230 L232 F250 Y254	F220-Y269 HydrophobicContact CE1-CD1 4.22Å; F220-Y269 AromaticContact CE1-CD2 3.67Å; F220-Y269 HydrophobicContact CE1-CD2 3.67Å; F220-Y269 HydrophobicContact CE1-CE2 4.39Å; F220-Y269 AromaticContact CE1-CG 3.59Å; F220-Y269 HydrophobicContact CE1-CG 3.59Å; F220-Y269 HydrophobicContact CZ-CD1 4.06Å; F220-Y269 AromaticContact CZ-CD2 3.7Å; F220-Y269 HydrophobicContact CZ-CD2 3.7Å; F220-Y269 HydrophobicContact CZ-CE1 4.3Å; F220-Y269 AromaticContact CZ-CE2 3.96Å; F220-Y269 HydrophobicContact CZ-CE2 3.96Å; F220-Y269 AromaticContact CZ-CG 3.77Å; F220-Y269 HydrophobicContact CZ-CG 3.77Å; L230-Y269 HydrophobicContact CB-CD2 4.3Å; L230-Y269 HydrophobicContact CD2-CD2 4.03Å; L230-Y269 HydrophobicContact CG-CD2 4.04Å; L230-Y269 WeakPolarHBondContact O-CA 3.28Å; L232-Y269 HydrophobicContact CB-CE2 3.93Å; F250-Y269 HydrophobicContact CB-CE2 4.4Å; F250-Y269 WeakPolarHBondContact CB-OH 3.42Å; F250-Y269 AromaticContact CD1-CE2 3.97Å; F250-Y269 HydrophobicContact CD1-CE2 3.97Å; Y254-Y269 AromaticContact CD1-CD1 3.97Å; Y254-Y269 HydrophobicContact CD1-CD1 3.97Å; Y254-Y269 HydrophobicContact CD2-CD1 4.09Å; Y254-Y269 HydrophobicContact CD2-CG 4.11Å; Y254-Y269 AromaticContact CG-CD1 3.68Å; Y254-Y269 HydrophobicContact CG-CD1 3.68Å; Y254-Y269 HydrophobicContact CG-CG 4.18Å
270	E	98.3	Very high	98	Very high	62 Å²	62	64.4 Å²	64.4	29%	0.29	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.5	174.6	-168.8	-177.6	169.7	0	0	111	L230 Y231 L232 R272	L230-E270 PolarHBondContact O-N 3.49Å; Y231-E270 VanDerWaalsContact CA-O 3.28Å; Y231-E270 WeakPolarHBondContact CA-O 3.42Å; Y231-E270 HydrophobicContact CD1-CB 3.82Å; Y231-E270 HydrophobicContact CE1-CB 3.85Å; Y231-E270 HydrophobicContact CE1-CG 4.5Å; Y231-E270 WeakPolarHBondContact CE1-OE2 3.5Å; L232-E270 PolarHBondContact N-O 2.73Å; E270-R272 VanDerWaalsContact CD-NH2 3.31Å; E270-R272 HydrophobicContact CG-CG 4.18Å; E270-R272 IonicContact OE1-CZ 4Å; E270-R272 IonicContact OE1-NE 3.39Å; E270-R272 PolarHBondContact OE1-NE 3.26Å; E270-R272 VanDerWaalsContact OE1-NE 3.1Å; E270-R272 IonicContact OE1-NH2 2.66Å; E270-R272 PolarHBondContact OE1-NH2 3.41Å; E270-R272 IonicContact OE2-CZ 2.72Å; E270-R272 IonicContact OE2-NE 3.99Å; E270-R272 PolarHBondContact OE2-NE 3.01Å; E270-R272 VanDerWaalsContact OE2-NE 3.11Å; E270-R272 IonicContact OE2-NH2 3.6Å; E270-R272 PolarHBondContact OE2-NH2 3.43Å
271	H	98.5	Very high	98	Very high	40 Å²	40	60.1 Å²	60.1	19%	0.185	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.9	163.7	170.9	-95.3	0	0	0	109.9	L232 T234 N236 K247	L232-H271 WeakPolarHBondContact O-CA 3.13Å; T234-H271 PolarHBondContact OG1-NE2 3.29Å; N236-H271 PolarHBondContact OD1-CE1 3Å; K247-H271 HydrophobicContact CG-CB 4.12Å
272	R	98.1	Very high	97.9	Very high	56 Å²	56	60.1 Å²	60.1	21%	0.211	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.9	174	-71.3	-176.5	175.7	-104.9	-3.7	111.5	Y231 L232 S233 T234 E270 D276 M277	Y231-R272 HydrophobicContact CD1-CG 4.39Å; L232-R272 PolarHBondContact O-N 2.92Å; S233-R272 VanDerWaalsContact CA-O 3.27Å; S233-R272 WeakPolarHBondContact CA-O 3.26Å; T234-R272 PolarHBondContact N-O 2.8Å; E270-R272 VanDerWaalsContact CD-NH2 3.31Å; E270-R272 HydrophobicContact CG-CG 4.18Å; E270-R272 IonicContact OE1-CZ 4Å; E270-R272 IonicContact OE1-NE 3.39Å; E270-R272 PolarHBondContact OE1-NE 3.26Å; E270-R272 VanDerWaalsContact OE1-NE 3.1Å; E270-R272 IonicContact OE1-NH2 2.66Å; E270-R272 PolarHBondContact OE1-NH2 3.41Å; E270-R272 IonicContact OE2-CZ 2.72Å; E270-R272 IonicContact OE2-NE 3.99Å; E270-R272 PolarHBondContact OE2-NE 3.01Å; E270-R272 VanDerWaalsContact OE2-NE 3.11Å; E270-R272 IonicContact OE2-NH2 3.6Å; E270-R272 PolarHBondContact OE2-NH2 3.43Å; R272-D276 IonicContact NH1-OD2 3.43Å; R272-D276 PolarHBondContact NH1-OD2 3.42Å; R272-M277 HydrophobicContact CB-CB 4.14Å; R272-M277 HydrophobicContact CB-SD 4.43Å; R272-M277 VanDerWaalsContact CD-SD 3.59Å
273	L	98.3	Very high	97.8	Very high	54 Å²	54	67.7 Å²	67.7	28%	0.283	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.1	168	-62.9	178.7	0	0	0	109.5	T234 N236 T237 D275 D276 M277	T234-L273 CarbonylContact O-C 3.54Å; T234-L273 VanDerWaalsContact O-CA 3.31Å; T234-L273 WeakPolarHBondContact O-CA 3.29Å; N236-L273 WeakPolarHBondContact OD1-CD2 3.16Å; T237-L273 HydrophobicContact CG2-CD1 4.18Å; T237-L273 HydrophobicContact CG2-CD2 3.99Å; L273-D275 VanDerWaalsContact C-N 3.25Å; L273-D275 WeakPolarHBondContact CB-OD1 3.18Å; L273-D275 PolarHBondContact O-N 3.19Å; L273-D276 PolarHBondContact O-N 3.3Å; L273-D276 VanDerWaalsContact O-N 3.11Å; L273-M277 PolarHBondContact O-N 2.85Å
274	I	97.7	Very high	97.8	Very high	20 Å²	20	64.2 Å²	64.2	10%	0.103	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-37.1	-173.8	-174	64	0	0	0	113.4	T234 K235 M277 V278 W290 D296	T234-I274 PolarHBondContact O-N 3.34Å; K235-I274 HydrophobicContact CB-CG2 4.25Å; K235-I274 HydrophobicContact CD-CG2 3.95Å; I274-M277 PolarHBondContact O-N 3.25Å; I274-V278 VanDerWaalsContact O-CG2 3.27Å; I274-V278 WeakPolarHBondContact O-CG2 3.11Å; I274-V278 PolarHBondContact O-N 3.07Å; I274-W290 HydrophobicContact CD1-CZ2 3.78Å; I274-D296 HydrophobicContact CD1-CB 4.04Å; I274-D296 HydrophobicContact CG1-CB 4.4Å
275	D	95.9	Very high	97.7	Very high	88 Å²	88	61.6 Å²	61.6	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-40	177	53.5	-41.4	0	0	0	113.5	K235 L273	K235-D275 IonicContact NZ-OD1 2.65Å; K235-D275 PolarHBondContact NZ-OD1 3.36Å; K235-D275 IonicContact NZ-OD2 3.94Å; K235-D275 PolarHBondContact NZ-OD2 2.86Å; L273-D275 VanDerWaalsContact C-N 3.25Å; L273-D275 WeakPolarHBondContact CB-OD1 3.18Å; L273-D275 PolarHBondContact O-N 3.19Å
276	D	97.3	Very high	97.7	Very high	60 Å²	60	58.5 Å²	58.5	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-45.7	171	176.2	57.2	0	0	0	110.1	R272 L273 V278 A279 Q280	R272-D276 IonicContact NH1-OD2 3.43Å; R272-D276 PolarHBondContact NH1-OD2 3.42Å; L273-D276 PolarHBondContact O-N 3.3Å; L273-D276 VanDerWaalsContact O-N 3.11Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 2.56Å; D276-A279 WeakPolarHBondContact O-CA 3Å; D276-A279 WeakPolarHBondContact O-CB 3.43Å; D276-A279 PolarHBondContact O-N 3.4Å; D276-Q280 WeakPolarHBondContact O-CG 3.33Å; D276-Q280 PolarHBondContact O-N 3.15Å; D276-Q280 PolarHBondContact OD1-NE2 2.89Å
277	M	98.1	Very high	97.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-39.2	-176.8	-169.6	63.5	-172.2	0	0	112.2	Y231 S233 R272 L273 I274 A279 Q280 T281 F288 W290	Y231-M277 HydrophobicContact CD1-CE 4.14Å; Y231-M277 HydrophobicContact CD1-SD 4.09Å; Y231-M277 HydrophobicContact CD2-CE 3.67Å; Y231-M277 HydrophobicContact CE2-CE 4.35Å; Y231-M277 HydrophobicContact CG-CE 3.54Å; Y231-M277 HydrophobicContact CG-SD 4.03Å; S233-M277 WeakPolarHBondContact OG-CB 3.15Å; S233-M277 WeakPolarHBondContact OG-CG 3.3Å; R272-M277 HydrophobicContact CB-CB 4.14Å; R272-M277 HydrophobicContact CB-SD 4.43Å; R272-M277 VanDerWaalsContact CD-SD 3.59Å; L273-M277 PolarHBondContact O-N 2.85Å; I274-M277 PolarHBondContact O-N 3.25Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 3.03Å; M277-Q280 PolarHBondContact O-N 3.01Å; M277-Q280 HydrophobicContact SD-CB 4.42Å; M277-T281 WeakPolarHBondContact O-CB 3.37Å; M277-T281 PolarHBondContact O-N 3.04Å; M277-T281 PolarHBondContact O-OG1 2.84Å; M277-F288 HydrophobicContact CE-CD2 3.93Å; M277-F288 HydrophobicContact CE-CE2 3.4Å; M277-F288 VanDerWaalsContact CE-CE2 3.4Å; M277-F288 HydrophobicContact CE-CZ 3.92Å; M277-W290 HydrophobicContact CB-CZ2 4.14Å; M277-W290 HydrophobicContact CE-CG 4.37Å; M277-W290 HydrophobicContact CG-CD2 4.34Å; M277-W290 HydrophobicContact CG-CZ2 3.75Å; M277-W290 VanDerWaalsContact CG-NE1 3.33Å
278	V	97.8	Very high	97.7	Very high	44 Å²	44	49.9 Å²	49.9	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-44.9	173	169.2	0	0	0	0	111.1	I274 D276 L282 W290	I274-V278 VanDerWaalsContact O-CG2 3.27Å; I274-V278 WeakPolarHBondContact O-CG2 3.11Å; I274-V278 PolarHBondContact O-N 3.07Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 2.56Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.18Å; V278-W290 HydrophobicContact CG2-CH2 3.88Å; V278-W290 HydrophobicContact CG2-CZ2 4.19Å
279	A	97.3	Very high	97.7	Very high	38 Å²	38	44.2 Å²	44.2	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-38.2	178.1	0	0	0	0	0	112.6	D276 M277 K283	D276-A279 WeakPolarHBondContact O-CA 3Å; D276-A279 WeakPolarHBondContact O-CB 3.43Å; D276-A279 PolarHBondContact O-N 3.4Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 3.03Å; A279-K283 WeakPolarHBondContact O-CG 3.41Å; A279-K283 PolarHBondContact O-N 3.47Å
280	Q	97.2	Very high	97.7	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	23%	0.226	S	C	.	.	H	α-helix	trans	-68.6	-42.3	176.6	-62.3	-56.5	-27	0	0	112	D276 M277 L282 K283 S284	D276-Q280 WeakPolarHBondContact O-CG 3.33Å; D276-Q280 PolarHBondContact O-N 3.15Å; D276-Q280 PolarHBondContact OD1-NE2 2.89Å; M277-Q280 PolarHBondContact O-N 3.01Å; M277-Q280 HydrophobicContact SD-CB 4.42Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 PolarHBondContact O-N 2.87Å; Q280-K283 CarbonylContact O-C 3.55Å; Q280-K283 PolarHBondContact O-N 3.24Å; Q280-S284 WeakPolarHBondContact O-CB 3.42Å; Q280-S284 PolarHBondContact O-N 3.01Å
281	T	98.1	Very high	97.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-52.7	-50	174.3	-65.1	0	0	0	0	109.7	W148 I152 M277 K283 S284 F288 W290 I304	W148-T281 HydrophobicContact CH2-CG2 4.48Å; W148-T281 HydrophobicContact CZ2-CG2 3.71Å; W148-T281 PolarHBondContact NE1-O 3.1Å; I152-T281 HydrophobicContact CD1-CG2 3.8Å; M277-T281 WeakPolarHBondContact O-CB 3.37Å; M277-T281 PolarHBondContact O-N 3.04Å; M277-T281 PolarHBondContact O-OG1 2.84Å; T281-K283 VanDerWaalsContact C-N 3.28Å; T281-K283 PolarHBondContact O-N 2.87Å; T281-S284 PolarHBondContact O-N 3.09Å; T281-S284 PolarHBondContact O-OG 3.33Å; T281-F288 HydrophobicContact CG2-CZ 4.06Å; T281-W290 HydrophobicContact CG2-CE3 4.3Å; T281-W290 HydrophobicContact CG2-CZ3 3.95Å; T281-I304 HydrophobicContact CG2-CD1 3.8Å
282	L	96.8	Very high	97.7	Very high	88 Å²	88	38.5 Å²	38.5	46%	0.461	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-29.8	178.2	-71.2	171	0	0	0	114.3	V145 W148 V278 Q280	V145-L282 HydrophobicContact CG1-CD2 4.27Å; V145-L282 HydrophobicContact CG2-CD2 3.79Å; W148-L282 HydrophobicContact CH2-CD2 4.45Å; W148-L282 HydrophobicContact CZ2-CD2 3.93Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.18Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 PolarHBondContact O-N 2.87Å
283	K	96.7	Very high	97.7	Very high	160 Å²	160	36.6 Å²	36.6	70%	0.696	20%	0.197	S	C	*	.	H	α-helix	trans	-86.2	-19.7	178.8	-69.6	171.8	-176.2	174.4	0	113.7	A279 Q280 T281	A279-K283 WeakPolarHBondContact O-CG 3.41Å; A279-K283 PolarHBondContact O-N 3.47Å; Q280-K283 CarbonylContact O-C 3.55Å; Q280-K283 PolarHBondContact O-N 3.24Å; T281-K283 VanDerWaalsContact C-N 3.28Å; T281-K283 PolarHBondContact O-N 2.87Å
284	S	97.4	Very high	97.5	Very high	28 Å²	28	34.3 Å²	34.3	20%	0.196	19%	0.185	C	C	.	.	S	Bend	trans	-73.7	168.8	-177.4	75.2	0	0	0	0	112.7	Q280 T281 G286 F288	Q280-S284 WeakPolarHBondContact O-CB 3.42Å; Q280-S284 PolarHBondContact O-N 3.01Å; T281-S284 PolarHBondContact O-N 3.09Å; T281-S284 PolarHBondContact O-OG 3.33Å; S284-G286 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact OG-N 3.11Å; S284-F288 WeakPolarHBondContact OG-CE1 3.36Å
285	D	97	Very high	97.4	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.374	20%	0.2	S	C	.	.			trans	-90.9	4.3	167.6	67.4	-31.3	0	0	0	113.4	G147 T149 K150	G147-D285 WeakPolarHBondContact O-CA 3.1Å; T149-D285 PolarHBondContact N-O 2.97Å; T149-D285 PolarHBondContact OG1-O 2.97Å; K150-D285 WeakPolarHBondContact CE-OD2 3.41Å; K150-D285 PolarHBondContact N-O 3.24Å; K150-D285 IonicContact NZ-OD2 3.75Å; K150-D285 PolarHBondContact NZ-OD2 3.07Å
286	G	97.3	Very high	97.5	Very high	6 Å²	6	35.9 Å²	35.9	6%	0.062	19%	0.186	C	C	.	.			trans	84.4	-155.3	-170.7	0	0	0	0	0	113.1	S284	S284-G286 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact OG-N 3.11Å
287	G	97.6	Very high	97.5	Very high	11 Å²	11	33 Å²	33	11%	0.113	17%	0.171	C	C	.	.			trans	80.4	37.8	174.3	0	0	0	0	0	114.5	P151 P229	P151-G287 WeakPolarHBondContact O-CA 2.93Å; P151-G287 PolarHBondContact O-N 3.26Å; P229-G287 WeakPolarHBondContact CD-O 3.25Å
288	F	98.5	Very high	97.2	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.5	177.8	58.5	-91.3	0	0	0	111.6	I152 V153 P229 Y231 M277 T281 S284 W290	I152-F288 HydrophobicContact CB-CZ 4.5Å; I152-F288 HydrophobicContact CD1-CE1 4.14Å; I152-F288 HydrophobicContact CD1-CZ 3.93Å; I152-F288 HydrophobicContact CG1-CD1 4.48Å; I152-F288 HydrophobicContact CG1-CE1 3.86Å; I152-F288 HydrophobicContact CG1-CE2 4.43Å; I152-F288 HydrophobicContact CG1-CZ 3.83Å; I152-F288 HydrophobicContact CG2-CD2 4.24Å; I152-F288 HydrophobicContact CG2-CE2 3.66Å; I152-F288 HydrophobicContact CG2-CZ 3.85Å; V153-F288 PolarHBondContact N-O 2.99Å; V153-F288 VanDerWaalsContact N-O 3.09Å; P229-F288 HydrophobicContact CG-CB 3.91Å; P229-F288 WeakPolarHBondContact O-CA 3.44Å; Y231-F288 HydrophobicContact CD2-CB 3.96Å; Y231-F288 AromaticContact CD2-CD2 3.8Å; Y231-F288 HydrophobicContact CD2-CD2 3.8Å; Y231-F288 AromaticContact CD2-CG 3.99Å; Y231-F288 HydrophobicContact CD2-CG 3.99Å; Y231-F288 HydrophobicContact CE2-CB 3.85Å; Y231-F288 HydrophobicContact CE2-CD2 4.27Å; Y231-F288 HydrophobicContact CE2-CG 4.01Å; M277-F288 HydrophobicContact CE-CD2 3.93Å; M277-F288 HydrophobicContact CE-CE2 3.4Å; M277-F288 VanDerWaalsContact CE-CE2 3.4Å; M277-F288 HydrophobicContact CE-CZ 3.92Å; T281-F288 HydrophobicContact CG2-CZ 4.06Å; S284-F288 WeakPolarHBondContact OG-CE1 3.36Å; F288-W290 HydrophobicContact CD2-CB 4.11Å; F288-W290 HydrophobicContact CE2-CB 3.93Å; F288-W290 HydrophobicContact CE2-CG 4.38Å
289	V	98.6	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.8	167.6	-176.7	0	0	0	0	108.4	F132 V153 Y222 A223 P229 L230 Y231	F132-V289 HydrophobicContact CE1-CG1 4.48Å; V153-V289 HydrophobicContact CB-CG2 4.26Å; V153-V289 HydrophobicContact CG1-CG1 4.33Å; V153-V289 CarbonylContact O-C 3.58Å; V153-V289 WeakPolarHBondContact O-CA 3.37Å; Y222-V289 HydrophobicContact CD1-CG2 4.03Å; A223-V289 HydrophobicContact CB-CB 4.12Å; A223-V289 HydrophobicContact CB-CG2 3.83Å; P229-V289 PolarHBondContact O-N 2.83Å; L230-V289 WeakPolarHBondContact CA-O 3.39Å; L230-V289 HydrophobicContact CD1-CB 3.8Å; L230-V289 HydrophobicContact CD1-CG1 3.66Å; Y231-V289 PolarHBondContact N-O 3.38Å
290	W	98.8	Very high	97.1	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	100.9	179.8	-171.1	12.5	0	0	0	110	V153 V154 G155 Y231 S233 I274 M277 V278 T281 F288 C292 Q300	V153-W290 PolarHBondContact O-N 2.99Å; V154-W290 CarbonylContact C-O 3.55Å; V154-W290 WeakPolarHBondContact CA-O 3.34Å; V154-W290 HydrophobicContact CG2-CE3 4.29Å; G155-W290 PolarHBondContact N-O 3.47Å; Y231-W290 CarbonylContact O-C 3.58Å; S233-W290 PolarHBondContact OG-NE1 2.89Å; I274-W290 HydrophobicContact CD1-CZ2 3.78Å; M277-W290 HydrophobicContact CB-CZ2 4.14Å; M277-W290 HydrophobicContact CE-CG 4.37Å; M277-W290 HydrophobicContact CG-CD2 4.34Å; M277-W290 HydrophobicContact CG-CZ2 3.75Å; M277-W290 VanDerWaalsContact CG-NE1 3.33Å; V278-W290 HydrophobicContact CG2-CH2 3.88Å; V278-W290 HydrophobicContact CG2-CZ2 4.19Å; T281-W290 HydrophobicContact CG2-CE3 4.3Å; T281-W290 HydrophobicContact CG2-CZ3 3.95Å; F288-W290 HydrophobicContact CD2-CB 4.11Å; F288-W290 HydrophobicContact CE2-CB 3.93Å; F288-W290 HydrophobicContact CE2-CG 4.38Å; W290-C292 VanDerWaalsContact CE2-SG 3.52Å; W290-C292 PolarHBondContact NE1-SG 3.27Å; W290-C292 VanDerWaalsContact NE1-SG 3.44Å; W290-Q300 HydrophobicContact CE3-CB 4.46Å; W290-Q300 HydrophobicContact CH2-CB 3.9Å; W290-Q300 HydrophobicContact CH2-CG 3.61Å; W290-Q300 HydrophobicContact CZ2-CG 4.23Å; W290-Q300 HydrophobicContact CZ3-CB 3.77Å; W290-Q300 HydrophobicContact CZ3-CG 4.03Å
291	A	98.7	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.4	174.2	0	0	0	0	0	110.3	G155 F215 C219 L230 Y231 L232 S233 F250	G155-A291 CarbonylContact O-C 3.57Å; G155-A291 WeakPolarHBondContact O-CA 3.4Å; F215-A291 HydrophobicContact CE1-CB 4.31Å; F215-A291 HydrophobicContact CE2-CB 4.36Å; F215-A291 HydrophobicContact CZ-CB 3.71Å; C219-A291 HydrophobicContact CB-CB 4.24Å; L230-A291 HydrophobicContact CD1-CB 4.1Å; Y231-A291 PolarHBondContact O-N 2.66Å; L232-A291 HydrophobicContact CD1-CB 4.14Å; S233-A291 PolarHBondContact N-O 3.15Å; F250-A291 HydrophobicContact CE1-CB 3.92Å; F250-A291 HydrophobicContact CZ-CB 4.1Å
292	C	98.6	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.9	-179.6	-65.3	0	0	0	0	111.1	G155 H157 F215 W290 D296 G297	G155-C292 PolarHBondContact O-N 3.03Å; H157-C292 PolarHBondContact N-O 3.43Å; F215-C292 WeakPolarHBondContact CZ-O 3.14Å; W290-C292 VanDerWaalsContact CE2-SG 3.52Å; W290-C292 PolarHBondContact NE1-SG 3.27Å; W290-C292 VanDerWaalsContact NE1-SG 3.44Å; C292-D296 HydrophobicContact CB-CB 4.07Å; C292-G297 VanDerWaalsContact CB-N 3.3Å
293	K	97.4	Very high	96.8	Very high	17 Å²	17	33.3 Å²	33.3	7%	0.074	17%	0.171	C	C	.	.			trans	-58.7	169.7	164.8	-68.8	-160.9	-56.8	165.3	0	111.2	T234 D243 F246 Y295 D296 G297	T234-K293 HydrophobicContact CG2-CG 4.33Å; D243-K293 VanDerWaalsContact CG-NZ 3.32Å; D243-K293 WeakPolarHBondContact OD1-CE 3.36Å; D243-K293 IonicContact OD1-NZ 2.66Å; D243-K293 PolarHBondContact OD1-NZ 2.88Å; D243-K293 WeakPolarHBondContact OD2-CE 3.44Å; D243-K293 IonicContact OD2-NZ 3.53Å; D243-K293 PolarHBondContact OD2-NZ 3.15Å; D243-K293 VanDerWaalsContact OD2-NZ 3.15Å; F246-K293 HydrophobicContact CD1-CG 4.48Å; F246-K293 HydrophobicContact CD2-CD 4.49Å; F246-K293 HydrophobicContact CE1-CG 4.3Å; F246-K293 HydrophobicContact CE2-CD 4.34Å; F246-K293 HydrophobicContact CZ-CD 4.46Å; F246-K293 HydrophobicContact CZ-CG 4.42Å; K293-Y295 PolarHBondContact O-N 3.14Å; K293-D296 PolarHBondContact O-N 3.15Å; K293-G297 PolarHBondContact O-N 3.31Å
294	N	95.4	Very high	96.7	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-56.6	-50.5	-165.6	-161	-11.5	0	0	0	113.4	R156 H157 G160 D161 Y163 D298	R156-N294 PolarHBondContact NE-O 2.88Å; R156-N294 VanDerWaalsContact NE-O 3.1Å; R156-N294 PolarHBondContact NE-OD1 3.32Å; R156-N294 PolarHBondContact NH2-OD1 3.36Å; H157-N294 WeakPolarHBondContact O-CA 3.49Å; H157-N294 WeakPolarHBondContact O-CB 3.37Å; G160-N294 PolarHBondContact O-ND2 3.09Å; D161-N294 HydrophobicContact CB-CB 3.87Å; D161-N294 WeakPolarHBondContact OD2-CB 3.42Å; D161-N294 PolarHBondContact OD2-N 3.3Å; Y163-N294 HydrophobicContact CD2-CB 3.98Å; Y163-N294 VanDerWaalsContact CD2-ND2 3.31Å; Y163-N294 WeakPolarHBondContact CD2-ND2 3.47Å; Y163-N294 HydrophobicContact CE2-CB 4.31Å; N294-D298 PolarHBondContact O-N 3.29Å; N294-D298 VanDerWaalsContact O-N 3.11Å
295	Y	95.6	Very high	96.5	Very high	107 Å²	107	24.4 Å²	24.4	42%	0.42	13%	0.129	S	C	.	.	H	α-helix	trans	-72.6	-46.6	-178.9	-178.4	-114.9	0	0	0	113.4	Q162 Y163 K293 G297 D298 V299	Q162-Y295 VanDerWaalsContact CD-CB 3.46Å; Q162-Y295 HydrophobicContact CG-CD2 4.4Å; Q162-Y295 HydrophobicContact CG-CG 4.43Å; Q162-Y295 VanDerWaalsContact NE2-CE2 3.28Å; Y163-Y295 HydrophobicContact CE2-CD2 4.27Å; K293-Y295 PolarHBondContact O-N 3.14Å; Y295-G297 PolarHBondContact O-N 2.93Å; Y295-D298 WeakPolarHBondContact O-CB 3.3Å; Y295-D298 PolarHBondContact O-N 2.89Å; Y295-V299 HydrophobicContact CD1-CG2 4.46Å; Y295-V299 HydrophobicContact CD2-CG2 4.1Å; Y295-V299 HydrophobicContact CE1-CG2 4.06Å; Y295-V299 HydrophobicContact CE2-CG2 3.68Å; Y295-V299 PolarHBondContact O-N 3.29Å
296	D	97.4	Very high	96.3	Very high	34 Å²	34	25 Å²	25	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-58.9	-41.9	177.6	-61.9	-51.6	0	0	0	110.3	I274 C292 K293 D298 V299 Q300	I274-D296 HydrophobicContact CD1-CB 4.04Å; I274-D296 HydrophobicContact CG1-CB 4.4Å; C292-D296 HydrophobicContact CB-CB 4.07Å; K293-D296 PolarHBondContact O-N 3.15Å; D296-D298 VanDerWaalsContact C-N 3.32Å; D296-D298 PolarHBondContact O-N 3.04Å; D296-V299 PolarHBondContact O-N 3.28Å; D296-Q300 WeakPolarHBondContact O-CB 3.29Å; D296-Q300 WeakPolarHBondContact O-CG 3.25Å; D296-Q300 PolarHBondContact O-N 3.32Å
297	G	96.7	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-32.3	176.9	0	0	0	0	0	113	C292 K293 Y295 S301	C292-G297 VanDerWaalsContact CB-N 3.3Å; K293-G297 PolarHBondContact O-N 3.31Å; Y295-G297 PolarHBondContact O-N 2.93Å; G297-S301 WeakPolarHBondContact O-CB 3.46Å; G297-S301 PolarHBondContact O-N 3.01Å; G297-S301 PolarHBondContact O-OG 3.12Å
298	D	93.4	Very high	96	Very high	37 Å²	37	24.6 Å²	24.6	20%	0.198	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-60.1	172.6	-150.6	6	0	0	0	110.2	R156 Y163 N294 Y295 D296 S301 D302	R156-D298 IonicContact CZ-OD1 3.53Å; R156-D298 IonicContact CZ-OD2 2.81Å; R156-D298 IonicContact NH1-OD1 2.74Å; R156-D298 PolarHBondContact NH1-OD1 3.48Å; R156-D298 IonicContact NH1-OD2 2.68Å; R156-D298 PolarHBondContact NH1-OD2 3.47Å; R156-D298 VanDerWaalsContact NH2-CG 3.33Å; R156-D298 IonicContact NH2-OD1 2.75Å; R156-D298 IonicContact NH2-OD2 2.7Å; R156-D298 PolarHBondContact NH2-OD2 3.1Å; Y163-D298 VanDerWaalsContact CZ-OD2 3.24Å; Y163-D298 WeakPolarHBondContact OH-CB 3.23Å; Y163-D298 VanDerWaalsContact OH-CG 3.29Å; Y163-D298 PolarHBondContact OH-OD2 2.99Å; N294-D298 PolarHBondContact O-N 3.29Å; N294-D298 VanDerWaalsContact O-N 3.11Å; Y295-D298 WeakPolarHBondContact O-CB 3.3Å; Y295-D298 PolarHBondContact O-N 2.89Å; D296-D298 VanDerWaalsContact C-N 3.32Å; D296-D298 PolarHBondContact O-N 3.04Å; D298-S301 PolarHBondContact O-N 3.43Å; D298-S301 PolarHBondContact O-OG 2.96Å; D298-D302 PolarHBondContact O-N 2.83Å
299	V	95.1	Very high	95.6	Very high	55 Å²	55	24.3 Å²	24.3	33%	0.333	12%	0.123	S	C	.	.	H	α-helix	trans	-64.4	-48.9	-174.4	176.8	0	0	0	0	111.8	Y295 D296 S301 D302 V303	Y295-V299 HydrophobicContact CD1-CG2 4.46Å; Y295-V299 HydrophobicContact CD2-CG2 4.1Å; Y295-V299 HydrophobicContact CE1-CG2 4.06Å; Y295-V299 HydrophobicContact CE2-CG2 3.68Å; Y295-V299 PolarHBondContact O-N 3.29Å; D296-V299 PolarHBondContact O-N 3.28Å; V299-S301 VanDerWaalsContact C-N 3.31Å; V299-S301 PolarHBondContact O-N 2.72Å; V299-D302 PolarHBondContact O-N 3.4Å; V299-V303 PolarHBondContact O-N 3.4Å; V299-V303 VanDerWaalsContact O-N 3.15Å
300	Q	96.9	Very high	95.3	Very high	30 Å²	30	24.9 Å²	24.9	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-68.5	-32.3	-175.9	-62.7	-57.5	-37.8	0	0	111.7	W290 D296 D302 V303 I304	W290-Q300 HydrophobicContact CE3-CB 4.46Å; W290-Q300 HydrophobicContact CH2-CB 3.9Å; W290-Q300 HydrophobicContact CH2-CG 3.61Å; W290-Q300 HydrophobicContact CZ2-CG 4.23Å; W290-Q300 HydrophobicContact CZ3-CB 3.77Å; W290-Q300 HydrophobicContact CZ3-CG 4.03Å; D296-Q300 WeakPolarHBondContact O-CB 3.29Å; D296-Q300 WeakPolarHBondContact O-CG 3.25Å; D296-Q300 PolarHBondContact O-N 3.32Å; Q300-D302 VanDerWaalsContact C-N 3.29Å; Q300-D302 PolarHBondContact O-N 2.59Å; Q300-V303 PolarHBondContact O-N 3.44Å; Q300-I304 VanDerWaalsContact O-CG1 3.31Å; Q300-I304 WeakPolarHBondContact O-CG1 3.42Å; Q300-I304 PolarHBondContact O-N 2.84Å
301	S	95.7	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-36.3	176	72.8	0	0	0	0	112.9	R133 G297 D298 V299 I304 A305	R133-S301 WeakPolarHBondContact CD-OG 3.09Å; R133-S301 PolarHBondContact NH1-OG 2.8Å; G297-S301 WeakPolarHBondContact O-CB 3.46Å; G297-S301 PolarHBondContact O-N 3.01Å; G297-S301 PolarHBondContact O-OG 3.12Å; D298-S301 PolarHBondContact O-N 3.43Å; D298-S301 PolarHBondContact O-OG 2.96Å; V299-S301 VanDerWaalsContact C-N 3.31Å; V299-S301 PolarHBondContact O-N 2.72Å; S301-I304 PolarHBondContact O-N 3.1Å; S301-A305 WeakPolarHBondContact O-CB 3.38Å; S301-A305 PolarHBondContact O-N 2.9Å
302	D	93.7	Very high	94.4	Very high	61 Å²	61	27.5 Å²	27.5	33%	0.326	14%	0.142	S	C	.	.	H	α-helix	trans	-71.8	-37.2	175.3	-76.4	2.6	0	0	0	111.5	R133 D298 V299 Q300 A305 Q306	R133-D302 IonicContact NH1-OD1 3.57Å; R133-D302 PolarHBondContact NH1-OD1 3.14Å; D298-D302 PolarHBondContact O-N 2.83Å; V299-D302 PolarHBondContact O-N 3.4Å; Q300-D302 VanDerWaalsContact C-N 3.29Å; Q300-D302 PolarHBondContact O-N 2.59Å; D302-A305 PolarHBondContact O-N 3.32Å; D302-Q306 WeakPolarHBondContact O-CB 3.41Å; D302-Q306 PolarHBondContact O-N 3.16Å
303	V	95.7	Very high	94.2	Very high	68 Å²	68	27.6 Å²	27.6	41%	0.412	14%	0.142	S	C	.	.	H	α-helix	trans	-60.8	-45.5	171.9	172.9	0	0	0	0	110.7	V299 Q300 G307	V299-V303 PolarHBondContact O-N 3.4Å; V299-V303 VanDerWaalsContact O-N 3.15Å; Q300-V303 PolarHBondContact O-N 3.44Å; V303-G307 WeakPolarHBondContact O-CA 3.23Å; V303-G307 PolarHBondContact O-N 3.24Å
304	I	96.4	Very high	94.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-52.5	174.7	-68.1	-50.5	0	0	0	109.5	P135 W148 I152 V154 T281 Q300 S301 Q306 G307 Y308 M314	P135-I304 HydrophobicContact CG-CG2 4.36Å; W148-I304 HydrophobicContact CH2-CD1 3.35Å; W148-I304 HydrophobicContact CZ2-CD1 3.88Å; W148-I304 HydrophobicContact CZ3-CD1 3.77Å; I152-I304 HydrophobicContact CB-CD1 4.23Å; I152-I304 HydrophobicContact CB-CG2 4.27Å; I152-I304 HydrophobicContact CD1-CD1 3.91Å; I152-I304 HydrophobicContact CG2-CD1 4.04Å; I152-I304 HydrophobicContact CG2-CG1 4.26Å; V154-I304 HydrophobicContact CG2-CG1 3.88Å; T281-I304 HydrophobicContact CG2-CD1 3.8Å; Q300-I304 VanDerWaalsContact O-CG1 3.31Å; Q300-I304 WeakPolarHBondContact O-CG1 3.42Å; Q300-I304 PolarHBondContact O-N 2.84Å; S301-I304 PolarHBondContact O-N 3.1Å; I304-Q306 PolarHBondContact O-N 3.47Å; I304-G307 WeakPolarHBondContact O-CA 3.48Å; I304-G307 PolarHBondContact O-N 3.49Å; I304-G307 VanDerWaalsContact O-N 3.09Å; I304-Y308 HydrophobicContact CG2-CD2 3.81Å; I304-Y308 HydrophobicContact CG2-CE2 3.75Å; I304-Y308 VanDerWaalsContact O-CD2 3.23Å; I304-Y308 WeakPolarHBondContact O-CD2 3.04Å; I304-Y308 PolarHBondContact O-N 2.86Å; I304-M314 HydrophobicContact CB-CE 4.37Å; I304-M314 HydrophobicContact CG2-CE 3.82Å
305	A	93.2	Very high	94.2	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-56.3	-49.3	-178.5	0	0	0	0	0	112.6	S301 D302 G307 Y308 G309 S310 L311 M314	S301-A305 WeakPolarHBondContact O-CB 3.38Å; S301-A305 PolarHBondContact O-N 2.9Å; D302-A305 PolarHBondContact O-N 3.32Å; A305-G307 VanDerWaalsContact C-N 3.31Å; A305-G307 PolarHBondContact O-N 2.83Å; A305-Y308 PolarHBondContact O-N 2.84Å; A305-G309 PolarHBondContact O-N 2.83Å; A305-S310 CarbonylContact O-C 3.58Å; A305-S310 PolarHBondContact O-N 2.84Å; A305-L311 HydrophobicContact CB-CD1 4.49Å; A305-L311 HydrophobicContact CB-CG 4.27Å; A305-M314 HydrophobicContact CB-CB 3.95Å; A305-M314 HydrophobicContact CB-CE 3.42Å; A305-M314 VanDerWaalsContact CB-CE 3.42Å; A305-M314 HydrophobicContact CB-CG 4.11Å
306	Q	92.4	Very high	94.2	Very high	81 Å²	81	21.9 Å²	21.9	38%	0.379	12%	0.121	S	C	.	.	H	α-helix	trans	-67.2	-34.6	178.2	-169.8	53.2	72.9	0	0	111.9	L144 D302 I304 Y308 G309 L311	L144-Q306 HydrophobicContact CD1-CG 3.97Å; L144-Q306 WeakPolarHBondContact CD1-O 3.43Å; D302-Q306 WeakPolarHBondContact O-CB 3.41Å; D302-Q306 PolarHBondContact O-N 3.16Å; I304-Q306 PolarHBondContact O-N 3.47Å; Q306-Y308 VanDerWaalsContact C-N 3.31Å; Q306-Y308 PolarHBondContact O-N 2.68Å; Q306-G309 PolarHBondContact NE2-O 3.41Å; Q306-G309 PolarHBondContact O-N 2.89Å; Q306-L311 HydrophobicContact CB-CD1 3.89Å; Q306-L311 HydrophobicContact CG-CD1 4.49Å
307	G	94.6	Very high	94.2	Very high	4 Å²	4	21.3 Å²	21.3	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-33.2	176.9	0	0	0	0	0	113.6	R143 L144 V303 I304 A305 G309	R143-G307 CarbonylContact C-O 3.58Å; R143-G307 WeakPolarHBondContact CA-O 3.38Å; L144-G307 PolarHBondContact N-O 2.99Å; V303-G307 WeakPolarHBondContact O-CA 3.23Å; V303-G307 PolarHBondContact O-N 3.24Å; I304-G307 WeakPolarHBondContact O-CA 3.48Å; I304-G307 PolarHBondContact O-N 3.49Å; I304-G307 VanDerWaalsContact O-N 3.09Å; A305-G307 VanDerWaalsContact C-N 3.31Å; A305-G307 PolarHBondContact O-N 2.83Å; G307-G309 VanDerWaalsContact C-N 3.32Å
308	Y	94.1	Very high	94.2	Very high	6 Å²	6	21.3 Å²	21.3	2%	0.024	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.3	171.4	-75.3	-79.2	0	0	0	114.3	P135 L137 R143 W148 K150 I152 I304 A305 Q306	P135-Y308 HydrophobicContact CB-CD1 4.44Å; P135-Y308 HydrophobicContact CB-CD2 3.52Å; P135-Y308 HydrophobicContact CB-CE2 4.15Å; P135-Y308 HydrophobicContact CB-CG 3.71Å; P135-Y308 HydrophobicContact CG-CD1 4.48Å; P135-Y308 HydrophobicContact CG-CD2 3.52Å; P135-Y308 HydrophobicContact CG-CE1 4.5Å; P135-Y308 HydrophobicContact CG-CE2 3.6Å; P135-Y308 HydrophobicContact CG-CG 4Å; L137-Y308 HydrophobicContact CD2-CD1 3.28Å; L137-Y308 HydrophobicContact CD2-CE1 3.63Å; L137-Y308 HydrophobicContact CD2-CG 4Å; R143-Y308 HydrophobicContact CG-CD1 4.38Å; W148-Y308 HydrophobicContact CB-CE1 3.79Å; W148-Y308 HydrophobicContact CD2-CE2 4.18Å; W148-Y308 AromaticContact CE3-CD2 3.84Å; W148-Y308 HydrophobicContact CE3-CD2 3.84Å; W148-Y308 HydrophobicContact CE3-CE1 4.43Å; W148-Y308 AromaticContact CE3-CE2 3.43Å; W148-Y308 HydrophobicContact CE3-CE2 3.43Å; W148-Y308 VanDerWaalsContact CE3-CE2 3.43Å; W148-Y308 HydrophobicContact CE3-CG 4.45Å; W148-Y308 AromaticContact CE3-CZ 3.78Å; W148-Y308 HydrophobicContact CZ3-CD2 4.19Å; W148-Y308 AromaticContact CZ3-CE2 3.99Å; W148-Y308 HydrophobicContact CZ3-CE2 3.99Å; K150-Y308 PolarHBondContact O-OH 3.47Å; I152-Y308 HydrophobicContact CD1-CE2 4.46Å; I152-Y308 WeakPolarHBondContact CG1-OH 3.43Å; I152-Y308 PolarHBondContact N-OH 2.94Å; I304-Y308 HydrophobicContact CG2-CD2 3.81Å; I304-Y308 HydrophobicContact CG2-CE2 3.75Å; I304-Y308 VanDerWaalsContact O-CD2 3.23Å; I304-Y308 WeakPolarHBondContact O-CD2 3.04Å; I304-Y308 PolarHBondContact O-N 2.86Å; A305-Y308 PolarHBondContact O-N 2.84Å; Q306-Y308 VanDerWaalsContact C-N 3.31Å; Q306-Y308 PolarHBondContact O-N 2.68Å
309	G	90.3	Very high	94.3	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	134.5	-47.4	168.7	0	0	0	0	0	113.6	A305 Q306 G307 C402	A305-G309 PolarHBondContact O-N 2.83Å; Q306-G309 PolarHBondContact NE2-O 3.41Å; Q306-G309 PolarHBondContact O-N 2.89Å; G307-G309 VanDerWaalsContact C-N 3.32Å; G309-C402 PolarHBondContact O-SG 2.76Å
310	S	91.2	Very high	94.1	Very high	12 Å²	12	19.3 Å²	19.3	8%	0.084	11%	0.105	C	C	.	.			trans	-155.8	144.1	-175.5	177.4	0	0	0	0	111.8	A305 G312 L313 D398	A305-S310 CarbonylContact O-C 3.58Å; A305-S310 PolarHBondContact O-N 2.84Å; S310-G312 PolarHBondContact O-N 3.18Å; S310-G312 PolarHBondContact OG-N 3.43Å; S310-G312 VanDerWaalsContact OG-N 3.09Å; S310-L313 PolarHBondContact O-N 2.85Å; S310-D398 WeakPolarHBondContact CB-OD2 3.48Å; S310-D398 PolarHBondContact OG-OD2 2.83Å
311	L	87.2	Confident	93.6	Very high	54 Å²	54	22 Å²	22	28%	0.283	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.2	168.7	-83.6	69.1	0	0	0	112.4	A305 Q306 L313	A305-L311 HydrophobicContact CB-CD1 4.49Å; A305-L311 HydrophobicContact CB-CG 4.27Å; Q306-L311 HydrophobicContact CB-CD1 3.89Å; Q306-L311 HydrophobicContact CG-CD1 4.49Å; L311-L313 PolarHBondContact O-N 2.88Å
312	G	90.6	Very high	93.2	Very high	3 Å²	3	26 Å²	26	3%	0.031	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12	175	0	0	0	0	0	114.5	S310 A354	S310-G312 PolarHBondContact O-N 3.18Å; S310-G312 PolarHBondContact OG-N 3.43Å; S310-G312 VanDerWaalsContact OG-N 3.09Å; G312-A354 PolarHBondContact O-N 3.05Å; G312-A354 VanDerWaalsContact O-N 3.15Å
313	L	94.4	Very high	92.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-106.1	49.5	177.7	-64.6	-178	0	0	0	110.8	P135 I136 V141 S310 L311 I353 L399	P135-L313 CarbonylContact C-O 3.59Å; P135-L313 WeakPolarHBondContact CA-O 3.4Å; I136-L313 HydrophobicContact CB-CB 4.2Å; I136-L313 HydrophobicContact CB-CD2 4.47Å; I136-L313 HydrophobicContact CG2-CD2 4.5Å; I136-L313 PolarHBondContact N-O 3.46Å; V141-L313 HydrophobicContact CG1-CD1 4.22Å; V141-L313 HydrophobicContact CG2-CD1 4.33Å; S310-L313 PolarHBondContact O-N 2.85Å; L311-L313 PolarHBondContact O-N 2.88Å; L313-I353 HydrophobicContact CD2-CB 4.4Å; L313-I353 HydrophobicContact CD2-CD1 3.59Å; L313-I353 HydrophobicContact CD2-CG2 4.08Å; L313-L399 HydrophobicContact CD1-CD2 3.56Å; L313-L399 HydrophobicContact CD2-CD1 4.4Å; L313-L399 HydrophobicContact CD2-CD2 4.49Å; L313-L399 HydrophobicContact CG-CD2 3.91Å
314	M	95.9	Very high	92.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.2	-178.9	-179.5	63.1	71.2	0	0	109.5	R133 E134 P135 I304 A305 A331	R133-M314 VanDerWaalsContact C-SD 3.53Å; R133-M314 HydrophobicContact CB-CG 4.27Å; R133-M314 HydrophobicContact CB-SD 3.76Å; E134-M314 PolarHBondContact N-SD 3.12Å; P135-M314 HydrophobicContact CB-CE 3.88Å; P135-M314 HydrophobicContact CG-CE 4.47Å; P135-M314 VanDerWaalsContact N-SD 3.39Å; I304-M314 HydrophobicContact CB-CE 4.37Å; I304-M314 HydrophobicContact CG2-CE 3.82Å; A305-M314 HydrophobicContact CB-CB 3.95Å; A305-M314 HydrophobicContact CB-CE 3.42Å; A305-M314 VanDerWaalsContact CB-CE 3.42Å; A305-M314 HydrophobicContact CB-CG 4.11Å; M314-A331 HydrophobicContact CB-CB 3.76Å; M314-A331 HydrophobicContact CG-CB 3.72Å; M314-A331 VanDerWaalsContact O-CB 3.3Å; M314-A331 WeakPolarHBondContact O-CB 2.82Å
315	T	97	Very high	92.7	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	152.9	169.7	64.3	0	0	0	0	110	R133 E134 I136 F357	R133-T315 VanDerWaalsContact CA-O 3.25Å; R133-T315 WeakPolarHBondContact CA-O 3.23Å; E134-T315 WeakPolarHBondContact CB-OG1 3.05Å; E134-T315 PolarHBondContact N-O 3.26Å; E134-T315 PolarHBondContact N-OG1 2.91Å; E134-T315 PolarHBondContact O-N 3.12Å; E134-T315 PolarHBondContact O-OG1 3.28Å; I136-T315 HydrophobicContact CD1-CG2 3.98Å; I136-T315 HydrophobicContact CG1-CG2 3.82Å; T315-F357 HydrophobicContact CG2-CB 4.1Å; T315-F357 HydrophobicContact CG2-CD1 3.57Å; T315-F357 HydrophobicContact CG2-CE1 4.46Å; T315-F357 HydrophobicContact CG2-CG 4.26Å
316	S	96.7	Very high	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	118.2	173.7	-169.3	0	0	0	0	109.1	F132 S328 E329	F132-S316 WeakPolarHBondContact O-CA 3.49Å; S316-S328 WeakPolarHBondContact O-CA 3.41Å; S316-S328 PolarHBondContact O-OG 2.73Å; S316-E329 PolarHBondContact O-N 2.79Å; S316-E329 WeakPolarHBondContact OG-CG 3.19Å; S316-E329 PolarHBondContact OG-OE1 2.93Å
317	V	97.2	Very high	93.1	Very high	22 Å²	22	24.6 Å²	24.6	13%	0.133	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	117.5	-179.7	-178.6	0	0	0	0	109.6	F132 I326 E327 R361	F132-V317 PolarHBondContact N-O 3.2Å; F132-V317 PolarHBondContact O-N 3.16Å; V317-I326 HydrophobicContact CG1-CB 4.16Å; V317-I326 HydrophobicContact CG1-CD1 4.13Å; V317-I326 HydrophobicContact CG1-CG2 4.41Å; V317-E327 CarbonylContact C-O 3.58Å; V317-E327 WeakPolarHBondContact CA-O 3.49Å; V317-R361 HydrophobicContact CG2-CB 4.08Å; V317-R361 HydrophobicContact CG2-CG 4.34Å
318	L	96.2	Very high	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.3	164.3	178.6	72.8	0	0	0	109.2	R124 L127 T130 V131 I326 E327	R124-L318 HydrophobicContact CG-CD1 4.22Å; R124-L318 HydrophobicContact CG-CD2 3.9Å; L127-L318 HydrophobicContact CB-CD2 3.99Å; L127-L318 HydrophobicContact CD1-CD2 3.85Å; T130-L318 WeakPolarHBondContact O-CA 3.49Å; V131-L318 HydrophobicContact CG2-CB 4.31Å; V131-L318 HydrophobicContact CG2-CD1 3.61Å; L318-I326 WeakPolarHBondContact O-CA 3.31Å; L318-I326 WeakPolarHBondContact O-CB 3.46Å; L318-E327 HydrophobicContact CB-CB 4.19Å; L318-E327 HydrophobicContact CD2-CB 4.29Å; L318-E327 PolarHBondContact N-O 3.49Å; L318-E327 PolarHBondContact O-N 3.07Å
319	M	94.9	Very high	93.4	Very high	43 Å²	43	24.5 Å²	24.5	21%	0.212	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.5	173.5	-177.3	64.2	63	0	0	109.9	G129 T130 F132 I326	G129-M319 CarbonylContact C-O 3.56Å; G129-M319 WeakPolarHBondContact CA-O 3.41Å; T130-M319 PolarHBondContact N-O 3Å; T130-M319 PolarHBondContact O-N 2.89Å; F132-M319 HydrophobicContact CD2-CB 4.16Å; F132-M319 HydrophobicContact CE2-CB 4.02Å; M319-I326 HydrophobicContact CE-CG2 3.43Å; M319-I326 VanDerWaalsContact CE-CG2 3.43Å; M319-I326 HydrophobicContact SD-CG2 3.55Å; M319-I326 VanDerWaalsContact SD-CG2 3.55Å
320	C	92.5	Very high	93.4	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.041	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-76.3	157.8	177	-61.5	0	0	0	0	111.7	D322 G323 T325	C320-D322 WeakPolarHBondContact CB-OD1 3.26Å; C320-D322 PolarHBondContact O-N 2.96Å; C320-D322 VanDerWaalsContact O-N 3.11Å; C320-G323 PolarHBondContact O-N 3.08Å; C320-G323 VanDerWaalsContact O-N 3.09Å; C320-T325 HydrophobicContact CB-CG2 4.39Å; C320-T325 WeakPolarHBondContact CB-O 3.43Å; C320-T325 PolarHBondContact N-O 2.81Å; C320-T325 VanDerWaalsContact SG-CG2 3.58Å; C320-T325 PolarHBondContact SG-O 2.95Å
321	P	85.4	Confident	93.2	Very high	87 Å²	87	24.3 Å²	24.3	57%	0.565	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	-179.7	-23.8	34.9	0	0	0	115.3	G323	P321-G323 PolarHBondContact O-N 3.33Å
322	D	87.9	Confident	93	Very high	85 Å²	85	23 Å²	23	46%	0.455	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.9	176.7	66.3	4.5	0	0	0	113.4	C320 K324 T325	C320-D322 WeakPolarHBondContact CB-OD1 3.26Å; C320-D322 PolarHBondContact O-N 2.96Å; C320-D322 VanDerWaalsContact O-N 3.11Å; D322-K324 PolarHBondContact O-N 3.19Å; D322-K324 VanDerWaalsContact O-N 3.14Å; D322-K324 PolarHBondContact OD1-N 2.98Å; D322-T325 PolarHBondContact OD1-N 3.41Å; D322-T325 WeakPolarHBondContact OD2-CB 3.5Å; D322-T325 PolarHBondContact OD2-OG1 3.49Å
323	G	84.7	Confident	92.9	Very high	49 Å²	49	25.3 Å²	25.3	51%	0.505	16%	0.159	S	C	.	.	S	Bend	trans	66	6.5	-176.8	0	0	0	0	0	114.5	C320 P321	C320-G323 PolarHBondContact O-N 3.08Å; C320-G323 VanDerWaalsContact O-N 3.09Å; P321-G323 PolarHBondContact O-N 3.33Å
324	K	92.4	Very high	92.8	Very high	125 Å²	125	26 Å²	26	54%	0.543	16%	0.163	S	C	.	.	S	Bend	trans	-119.4	-36.8	-175.1	-67.9	-179.7	-175.5	179.4	0	112	D322 H365 L369	D322-K324 PolarHBondContact O-N 3.19Å; D322-K324 VanDerWaalsContact O-N 3.14Å; D322-K324 PolarHBondContact OD1-N 2.98Å; K324-H365 PolarHBondContact O-NE2 3.2Å; K324-L369 HydrophobicContact CB-CD2 4.42Å; K324-L369 HydrophobicContact CG-CD2 4.44Å
325	T	97.3	Very high	92.7	Very high	4 Å²	4	28 Å²	28	3%	0.025	18%	0.175	C	C	.	.			trans	-89.3	125	-177.3	-57.8	0	0	0	0	109.9	I88 N92 L127 C320 D322	I88-T325 HydrophobicContact CG2-CG2 3.72Å; N92-T325 CarbonylContact O-C 3.57Å; N92-T325 VanDerWaalsContact O-CA 3.26Å; N92-T325 WeakPolarHBondContact O-CA 3.33Å; N92-T325 PolarHBondContact OD1-OG1 3.49Å; L127-T325 HydrophobicContact CD2-CG2 4.3Å; C320-T325 HydrophobicContact CB-CG2 4.39Å; C320-T325 WeakPolarHBondContact CB-O 3.43Å; C320-T325 PolarHBondContact N-O 2.81Å; C320-T325 VanDerWaalsContact SG-CG2 3.58Å; C320-T325 PolarHBondContact SG-O 2.95Å; D322-T325 PolarHBondContact OD1-N 3.41Å; D322-T325 WeakPolarHBondContact OD2-CB 3.5Å; D322-T325 PolarHBondContact OD2-OG1 3.49Å
326	I	97.6	Very high	92.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.3	172.5	73.9	161.8	0	0	0	112.1	N92 G94 V317 L318 M319 H365	N92-I326 PolarHBondContact O-N 3.33Å; G94-I326 PolarHBondContact N-O 3.22Å; V317-I326 HydrophobicContact CG1-CB 4.16Å; V317-I326 HydrophobicContact CG1-CD1 4.13Å; V317-I326 HydrophobicContact CG1-CG2 4.41Å; L318-I326 WeakPolarHBondContact O-CA 3.31Å; L318-I326 WeakPolarHBondContact O-CB 3.46Å; M319-I326 HydrophobicContact CE-CG2 3.43Å; M319-I326 VanDerWaalsContact CE-CG2 3.43Å; M319-I326 HydrophobicContact SD-CG2 3.55Å; M319-I326 VanDerWaalsContact SD-CG2 3.55Å; I326-H365 HydrophobicContact CD1-CB 3.3Å; I326-H365 HydrophobicContact CG1-CB 4Å
327	E	98.2	Very high	92.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.8	162.5	-179.6	-80	117.1	0	0	107.7	I88 G94 K96 I123 L127 V317 L318 E329	I88-E327 HydrophobicContact CD1-CB 4.35Å; I88-E327 HydrophobicContact CD1-CG 4.04Å; G94-E327 CarbonylContact O-C 3.58Å; G94-E327 WeakPolarHBondContact O-CA 3.47Å; K96-E327 HydrophobicContact CB-CG 4.35Å; K96-E327 VanDerWaalsContact CB-OE1 3.23Å; K96-E327 WeakPolarHBondContact CB-OE1 3.24Å; I123-E327 HydrophobicContact CG2-CG 4.37Å; L127-E327 HydrophobicContact CD1-CB 4.02Å; V317-E327 CarbonylContact C-O 3.58Å; V317-E327 WeakPolarHBondContact CA-O 3.49Å; L318-E327 HydrophobicContact CB-CB 4.19Å; L318-E327 HydrophobicContact CD2-CB 4.29Å; L318-E327 PolarHBondContact N-O 3.49Å; L318-E327 PolarHBondContact O-N 3.07Å; E327-E329 VanDerWaalsContact OE1-CB 3.25Å; E327-E329 WeakPolarHBondContact OE1-CB 3.32Å; E327-E329 PolarHBondContact OE1-N 2.87Å
328	S	98	Very high	92.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	175.4	-167.7	0	0	0	0	110.7	G94 I95 K96 S316 A358 R361	G94-S328 PolarHBondContact O-N 2.66Å; I95-S328 CarbonylContact C-O 3.59Å; I95-S328 WeakPolarHBondContact CA-O 3.44Å; K96-S328 PolarHBondContact N-O 3.46Å; S316-S328 WeakPolarHBondContact O-CA 3.41Å; S316-S328 PolarHBondContact O-OG 2.73Å; S328-A358 WeakPolarHBondContact CB-O 3.37Å; S328-A358 WeakPolarHBondContact OG-CA 3.44Å; S328-A358 PolarHBondContact OG-O 3.44Å; S328-R361 WeakPolarHBondContact OG-CB 3.19Å
329	E	96	Very high	92.3	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	159.6	-177.2	61.9	-177.5	157.4	0	0	112.8	K96 N120 R124 S316 E327 A331 A358	K96-E329 HydrophobicContact CB-CB 4.11Å; K96-E329 VanDerWaalsContact O-CA 3.3Å; K96-E329 WeakPolarHBondContact O-CA 3.42Å; N120-E329 PolarHBondContact ND2-OE2 2.66Å; N120-E329 PolarHBondContact OD1-OE2 3.42Å; R124-E329 IonicContact CZ-OE1 3.5Å; R124-E329 IonicContact NH2-OE1 3.57Å; R124-E329 PolarHBondContact NH2-OE1 3.46Å; R124-E329 IonicContact NH2-OE2 3.4Å; S316-E329 PolarHBondContact O-N 2.79Å; S316-E329 WeakPolarHBondContact OG-CG 3.19Å; S316-E329 PolarHBondContact OG-OE1 2.93Å; E327-E329 VanDerWaalsContact OE1-CB 3.25Å; E327-E329 WeakPolarHBondContact OE1-CB 3.32Å; E327-E329 PolarHBondContact OE1-N 2.87Å; E329-A331 PolarHBondContact O-N 3.08Å; E329-A358 VanDerWaalsContact C-CB 3.49Å
330	A	90.2	Very high	92.4	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	129.3	162.4	0	0	0	0	0	109.8	K96 H332	K96-A330 PolarHBondContact O-N 2.82Å; A330-H332 PolarHBondContact O-N 3.21Å
331	A	86.1	Confident	92.6	Very high	7 Å²	7	47.3 Å²	47.3	6%	0.058	25%	0.251	C	S	.	.	S	Bend	trans	-71.3	-11.2	-176	0	0	0	0	0	114.6	R133 M314 E329	R133-A331 PolarHBondContact NH2-O 2.87Å; M314-A331 HydrophobicContact CB-CB 3.76Å; M314-A331 HydrophobicContact CG-CB 3.72Å; M314-A331 VanDerWaalsContact O-CB 3.3Å; M314-A331 WeakPolarHBondContact O-CB 2.82Å; E329-A331 PolarHBondContact O-N 3.08Å
332	H	84.9	Confident	93.1	Very high	28 Å²	28	46.8 Å²	46.8	13%	0.13	24%	0.241	C	C	.	.	S	Bend	trans	-110.6	167.8	-178.5	62.4	52	0	0	0	112.9	A98 A330	A98-H332 WeakPolarHBondContact CB-O 3.41Å; A330-H332 PolarHBondContact O-N 3.21Å
333	G	88.1	Confident	93.5	Very high	51 Å²	51	47.7 Å²	47.7	53%	0.526	24%	0.243	S	C	.	.			trans	-71.7	-168.2	175.6	0	0	0	0	0	114.8	T43 V335	T43-G333 WeakPolarHBondContact CG2-O 3.49Å; G333-V335 VanDerWaalsContact C-N 3.34Å; G333-V335 PolarHBondContact O-N 3.04Å
334	T	92.2	Very high	94.1	Very high	15 Å²	15	52 Å²	52	9%	0.092	25%	0.247	C	C	.	.			trans	-80.7	-7.8	-169.8	56.5	0	0	0	0	115.6	D40 E41 M42 T43 A98 I100	D40-T334 HydrophobicContact CB-CG2 3.96Å; E41-T334 VanDerWaalsContact OE2-CB 3.3Å; E41-T334 WeakPolarHBondContact OE2-CB 3.49Å; E41-T334 PolarHBondContact OE2-OG1 2.95Å; M42-T334 PolarHBondContact N-O 3.29Å; T43-T334 PolarHBondContact N-O 3.43Å; T43-T334 WeakPolarHBondContact OG1-CA 3.42Å; A98-T334 HydrophobicContact CB-CG2 4Å; I100-T334 HydrophobicContact CG1-CG2 4.07Å
335	V	92.5	Very high	94.2	Very high	43 Å²	43	49.3 Å²	49.3	26%	0.261	26%	0.255	S	S	.	.			trans	59	52.5	177.1	-158.7	0	0	0	0	113.2	M42 T43 G333 R337 H338 Y339 T350	M42-V335 HydrophobicContact CB-CB 4.16Å; T43-V335 HydrophobicContact CG2-CG2 4.18Å; G333-V335 VanDerWaalsContact C-N 3.34Å; G333-V335 PolarHBondContact O-N 3.04Å; V335-R337 VanDerWaalsContact C-N 3.28Å; V335-R337 PolarHBondContact O-N 3.18Å; V335-R337 VanDerWaalsContact O-N 3.14Å; V335-H338 HydrophobicContact CG1-CB 3.84Å; V335-H338 PolarHBondContact O-N 3.1Å; V335-H338 VanDerWaalsContact O-N 3.13Å; V335-Y339 PolarHBondContact O-N 3.32Å; V335-Y339 VanDerWaalsContact O-N 3.17Å; V335-T350 HydrophobicContact CB-CG2 4.31Å; V335-T350 HydrophobicContact CG1-CG2 4.13Å; V335-T350 HydrophobicContact CG2-CG2 3.94Å
336	T	93.5	Very high	94.1	Very high	44 Å²	44	52.9 Å²	52.9	27%	0.27	27%	0.274	S	S	.	.	H	α-helix	trans	-45.9	-45.2	-180	-51.5	0	0	0	0	114.3	E41 R106 H338 Y339 R340	E41-T336 VanDerWaalsContact CD-OG1 3.27Å; E41-T336 WeakPolarHBondContact OE1-CG2 3.38Å; E41-T336 PolarHBondContact OE1-OG1 2.95Å; E41-T336 WeakPolarHBondContact OE2-CA 3.48Å; E41-T336 WeakPolarHBondContact OE2-CB 3.43Å; E41-T336 PolarHBondContact OE2-N 3.49Å; E41-T336 PolarHBondContact OE2-OG1 2.97Å; R106-T336 PolarHBondContact NH2-OG1 2.93Å; T336-H338 PolarHBondContact O-N 2.8Å; T336-Y339 WeakPolarHBondContact O-CB 3.42Å; T336-Y339 PolarHBondContact O-N 3.11Å; T336-Y339 VanDerWaalsContact O-N 3.12Å; T336-R340 HydrophobicContact CG2-CG 4.48Å; T336-R340 WeakPolarHBondContact O-CG 3.47Å; T336-R340 PolarHBondContact O-N 3.18Å
337	R	94.5	Very high	93.9	Very high	198 Å²	198	57.7 Å²	57.7	75%	0.747	31%	0.306	S	S	*	.	H	α-helix	trans	-58.3	-48.1	-177	-179.6	-176.5	172.2	-171.4	-0.4	111.4	V335 Y339 R340 E341	V335-R337 VanDerWaalsContact C-N 3.28Å; V335-R337 PolarHBondContact O-N 3.18Å; V335-R337 VanDerWaalsContact O-N 3.14Å; R337-Y339 VanDerWaalsContact C-N 3.3Å; R337-Y339 PolarHBondContact O-N 3.13Å; R337-R340 PolarHBondContact O-N 2.55Å; R337-E341 PolarHBondContact O-N 2.9Å
338	H	95.7	Very high	93.8	Very high	48 Å²	48	58.4 Å²	58.4	22%	0.222	31%	0.31	C	S	.	.	H	α-helix	trans	-67.8	-34.1	178.4	-71.2	-177.9	0	0	0	111.2	M42 V335 T336 R340 E341 H342 T348 S349 T350	M42-H338 HydrophobicContact CB-CB 4.32Å; M42-H338 HydrophobicContact CG-CB 3.89Å; M42-H338 HydrophobicContact SD-CB 4.26Å; V335-H338 HydrophobicContact CG1-CB 3.84Å; V335-H338 PolarHBondContact O-N 3.1Å; V335-H338 VanDerWaalsContact O-N 3.13Å; T336-H338 PolarHBondContact O-N 2.8Å; H338-R340 VanDerWaalsContact C-N 3.32Å; H338-R340 PolarHBondContact O-N 2.88Å; H338-E341 PolarHBondContact O-N 2.89Å; H338-H342 WeakPolarHBondContact O-CB 3.26Å; H338-H342 PolarHBondContact O-N 3.07Å; H338-T348 HydrophobicContact CB-CG2 3.83Å; H338-T348 VanDerWaalsContact O-CG2 3.3Å; H338-T348 WeakPolarHBondContact O-CG2 3.39Å; H338-S349 PolarHBondContact CE1-O 3.34Å; H338-T350 PolarHBondContact ND1-OG1 3.3Å
339	Y	96.3	Very high	93.7	Very high	61 Å²	61	58.9 Å²	58.9	24%	0.239	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-43.4	173.7	-174.8	-118	0	0	0	112.4	E41 I45 V335 T336 R337 E341 H342 Q343	E41-Y339 VanDerWaalsContact CA-CD2 3.48Å; E41-Y339 HydrophobicContact CB-CD1 3.82Å; E41-Y339 HydrophobicContact CB-CD2 4.07Å; E41-Y339 HydrophobicContact CB-CE1 4.45Å; E41-Y339 HydrophobicContact CB-CG 3.6Å; E41-Y339 HydrophobicContact CG-CD1 3.72Å; E41-Y339 HydrophobicContact CG-CE1 4.18Å; E41-Y339 HydrophobicContact CG-CG 4.06Å; I45-Y339 HydrophobicContact CD1-CD2 3.84Å; I45-Y339 HydrophobicContact CD1-CE2 3.87Å; V335-Y339 PolarHBondContact O-N 3.32Å; V335-Y339 VanDerWaalsContact O-N 3.17Å; T336-Y339 WeakPolarHBondContact O-CB 3.42Å; T336-Y339 PolarHBondContact O-N 3.11Å; T336-Y339 VanDerWaalsContact O-N 3.12Å; R337-Y339 VanDerWaalsContact C-N 3.3Å; R337-Y339 PolarHBondContact O-N 3.13Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 3.22Å; Y339-H342 PolarHBondContact O-N 2.92Å; Y339-Q343 HydrophobicContact CD1-CG 4.45Å; Y339-Q343 VanDerWaalsContact CE1-CD 3.48Å; Y339-Q343 HydrophobicContact CE1-CG 4.15Å; Y339-Q343 VanDerWaalsContact CE1-NE2 3.32Å; Y339-Q343 HydrophobicContact CE2-CG 4.32Å; Y339-Q343 WeakPolarHBondContact O-CG 3.39Å; Y339-Q343 PolarHBondContact O-N 3.25Å; Y339-Q343 PolarHBondContact OH-NE2 2.76Å
340	R	96.2	Very high	93.7	Very high	75 Å²	75	58.9 Å²	58.9	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-37.4	176	-59.6	-48.8	-179.6	179	-0.1	113.3	R106 E109 T336 R337 H338 K344	R106-R340 VanDerWaalsContact NH1-NH2 3.1Å; E109-R340 IonicContact OE1-CZ 3.45Å; E109-R340 IonicContact OE1-NH1 3.45Å; E109-R340 PolarHBondContact OE1-NH1 3.32Å; E109-R340 IonicContact OE1-NH2 2.61Å; E109-R340 PolarHBondContact OE1-NH2 3.27Å; E109-R340 IonicContact OE2-NH2 3.17Å; E109-R340 PolarHBondContact OE2-NH2 2.98Å; T336-R340 HydrophobicContact CG2-CG 4.48Å; T336-R340 WeakPolarHBondContact O-CG 3.47Å; T336-R340 PolarHBondContact O-N 3.18Å; R337-R340 PolarHBondContact O-N 2.55Å; H338-R340 VanDerWaalsContact C-N 3.32Å; H338-R340 PolarHBondContact O-N 2.88Å; R340-K344 WeakPolarHBondContact O-CG 3.46Å; R340-K344 PolarHBondContact O-N 3.44Å
341	E	97.3	Very high	93.9	Very high	59 Å²	59	59.2 Å²	59.2	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-69.8	-41.3	175.7	-62.8	-56.4	109.7	0	0	111	R337 H338 Y339 Q343 K344 G345 L346 T348	R337-E341 PolarHBondContact O-N 2.9Å; H338-E341 PolarHBondContact O-N 2.89Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 3.22Å; E341-Q343 PolarHBondContact O-N 2.82Å; E341-K344 WeakPolarHBondContact O-CA 3.2Å; E341-K344 WeakPolarHBondContact O-CB 3.48Å; E341-K344 PolarHBondContact O-N 2.51Å; E341-K344 IonicContact OE1-NZ 3.99Å; E341-K344 PolarHBondContact OE1-NZ 2.81Å; E341-G345 PolarHBondContact O-N 3.29Å; E341-L346 HydrophobicContact CB-CB 4.23Å; E341-L346 WeakPolarHBondContact O-CB 3.23Å; E341-L346 PolarHBondContact O-N 2.86Å; E341-L346 WeakPolarHBondContact OE2-CD1 3.31Å; E341-T348 HydrophobicContact CB-CG2 4.02Å
342	H	95.4	Very high	94.4	Very high	76 Å²	76	58.9 Å²	58.9	35%	0.352	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-42.2	174.3	178.5	82	0	0	0	112.3	M42 I45 H338 Y339 K344 G345 T348	M42-H342 HydrophobicContact SD-CB 3.97Å; I45-H342 WeakPolarHBondContact CD1-CD2 3.33Å; I45-H342 WeakPolarHBondContact CD1-NE2 3.31Å; H338-H342 WeakPolarHBondContact O-CB 3.26Å; H338-H342 PolarHBondContact O-N 3.07Å; Y339-H342 PolarHBondContact O-N 2.92Å; H342-K344 PolarHBondContact O-N 3.24Å; H342-G345 WeakPolarHBondContact O-CA 3.41Å; H342-G345 PolarHBondContact O-N 2.85Å; H342-T348 HydrophobicContact CB-CG2 4.3Å
343	Q	96.1	Very high	95	Very high	105 Å²	105	57.6 Å²	57.6	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-25.7	174.7	-74.2	-177.7	-49	0	0	113	Y339 E341 G345	Y339-Q343 HydrophobicContact CD1-CG 4.45Å; Y339-Q343 VanDerWaalsContact CE1-CD 3.48Å; Y339-Q343 HydrophobicContact CE1-CG 4.15Å; Y339-Q343 VanDerWaalsContact CE1-NE2 3.32Å; Y339-Q343 HydrophobicContact CE2-CG 4.32Å; Y339-Q343 WeakPolarHBondContact O-CG 3.39Å; Y339-Q343 PolarHBondContact O-N 3.25Å; Y339-Q343 PolarHBondContact OH-NE2 2.76Å; E341-Q343 PolarHBondContact O-N 2.82Å; Q343-G345 VanDerWaalsContact C-N 3.31Å
344	K	97.1	Very high	95.4	Very high	138 Å²	138	55.2 Å²	55.2	60%	0.6	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	1.3	173.7	-60.5	165.9	-169.2	169	0	113.1	R340 E341 H342 L346	R340-K344 WeakPolarHBondContact O-CG 3.46Å; R340-K344 PolarHBondContact O-N 3.44Å; E341-K344 WeakPolarHBondContact O-CA 3.2Å; E341-K344 WeakPolarHBondContact O-CB 3.48Å; E341-K344 PolarHBondContact O-N 2.51Å; E341-K344 IonicContact OE1-NZ 3.99Å; E341-K344 PolarHBondContact OE1-NZ 2.81Å; H342-K344 PolarHBondContact O-N 3.24Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 HydrophobicContact CB-CD1 4.13Å; K344-L346 HydrophobicContact CB-CG 4.1Å; K344-L346 HydrophobicContact CD-CD1 4.13Å
345	G	95.5	Very high	95.7	Very high	69 Å²	69	54.5 Å²	54.5	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	15	-173.8	0	0	0	0	0	114.3	E341 H342 Q343	E341-G345 PolarHBondContact O-N 3.29Å; H342-G345 WeakPolarHBondContact O-CA 3.41Å; H342-G345 PolarHBondContact O-N 2.85Å; Q343-G345 VanDerWaalsContact C-N 3.31Å
346	L	95.5	Very high	95.9	Very high	79 Å²	79	52.5 Å²	52.5	41%	0.414	27%	0.265	S	S	.	.			trans	-87	144.2	-179	-62.9	172.8	0	0	0	111.2	E341 K344	E341-L346 HydrophobicContact CB-CB 4.23Å; E341-L346 WeakPolarHBondContact O-CB 3.23Å; E341-L346 PolarHBondContact O-N 2.86Å; E341-L346 WeakPolarHBondContact OE2-CD1 3.31Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 HydrophobicContact CB-CD1 4.13Å; K344-L346 HydrophobicContact CB-CG 4.1Å; K344-L346 HydrophobicContact CD-CD1 4.13Å
347	P	92.7	Very high	96.2	Very high	106 Å²	106	50.6 Å²	50.6	69%	0.688	25%	0.253	S	S	*	.			trans	-66.7	140	179	27.7	-34.4	0	0	0	111.2	T416	P347-T416 HydrophobicContact CB-CG2 4.01Å
348	T	95.9	Very high	96.3	Very high	15 Å²	15	41.2 Å²	41.2	9%	0.092	22%	0.218	C	C	.	.			trans	-121.7	155.2	177.5	62.3	0	0	0	0	110.5	M42 H338 E341 H342 T416 T417	M42-T348 VanDerWaalsContact CE-OG1 3.29Å; M42-T348 WeakPolarHBondContact CE-OG1 3.46Å; H338-T348 HydrophobicContact CB-CG2 3.83Å; H338-T348 VanDerWaalsContact O-CG2 3.3Å; H338-T348 WeakPolarHBondContact O-CG2 3.39Å; E341-T348 HydrophobicContact CB-CG2 4.02Å; H342-T348 HydrophobicContact CB-CG2 4.3Å; T348-T416 CarbonylContact O-C 3.5Å; T348-T416 WeakPolarHBondContact O-CA 3.14Å; T348-T416 WeakPolarHBondContact O-CB 3.01Å; T348-T417 PolarHBondContact O-N 3.21Å; T348-T417 PolarHBondContact O-OG1 3.28Å; T348-T417 PolarHBondContact OG1-OG1 3.21Å
349	S	96	Very high	96.5	Very high	11 Å²	11	39 Å²	39	8%	0.077	21%	0.207	C	C	.	.			trans	-128.2	70.1	175.1	-171.8	0	0	0	0	109.1	H338 T396 K397 L415	H338-S349 PolarHBondContact CE1-O 3.34Å; S349-T396 WeakPolarHBondContact OG-CA 3.4Å; S349-T396 WeakPolarHBondContact OG-CB 3.23Å; S349-K397 PolarHBondContact OG-N 2.8Å; S349-L415 WeakPolarHBondContact CB-O 3.33Å; S349-L415 PolarHBondContact OG-O 3.43Å
350	T	95.6	Very high	96.6	Very high	6 Å²	6	36 Å²	36	4%	0.037	20%	0.196	C	C	.	.			trans	-85.5	133.5	172.4	-49.2	0	0	0	0	108.6	M42 I46 V335 H338 P352 T417	M42-T350 HydrophobicContact CG-CG2 4.44Å; M42-T350 WeakPolarHBondContact CG-OG1 3.47Å; I46-T350 VanDerWaalsContact CD1-CB 3.49Å; I46-T350 HydrophobicContact CD1-CG2 3.4Å; I46-T350 VanDerWaalsContact CD1-CG2 3.4Å; V335-T350 HydrophobicContact CB-CG2 4.31Å; V335-T350 HydrophobicContact CG1-CG2 4.13Å; V335-T350 HydrophobicContact CG2-CG2 3.94Å; H338-T350 PolarHBondContact ND1-OG1 3.3Å; T350-P352 VanDerWaalsContact O-CD 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.39Å; T350-T417 PolarHBondContact N-OG1 2.83Å; T350-T417 WeakPolarHBondContact O-CG2 3.49Å
351	N	95.3	Very high	96.7	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.048	19%	0.193	C	C	.	.			trans	-74	115.1	176.6	-169.1	-22.9	0	0	0	111.1	I353 T396 D398	N351-I353 VanDerWaalsContact OD1-CB 3.28Å; N351-I353 WeakPolarHBondContact OD1-CB 3.48Å; N351-I353 WeakPolarHBondContact OD1-CD1 3.5Å; N351-I353 WeakPolarHBondContact OD1-CG1 3.45Å; N351-I353 PolarHBondContact OD1-N 2.95Å; N351-T396 WeakPolarHBondContact CB-OG1 3.35Å; N351-D398 PolarHBondContact ND2-OD2 3.43Å
352	P	96.7	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.			trans	-87.4	-3.2	-178.8	37.4	-37.3	0	0	0	113.6	I46 I50 T350 A354 C355 I356 F420 L421	I46-P352 HydrophobicContact CG2-CB 3.63Å; I50-P352 HydrophobicContact CD1-CB 4.3Å; T350-P352 VanDerWaalsContact O-CD 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.39Å; P352-A354 PolarHBondContact O-N 3.08Å; P352-C355 WeakPolarHBondContact O-CB 3.26Å; P352-C355 PolarHBondContact O-N 3.07Å; P352-C355 VanDerWaalsContact O-N 3.08Å; P352-I356 HydrophobicContact CB-CD1 4.27Å; P352-I356 HydrophobicContact CG-CD1 4.22Å; P352-I356 WeakPolarHBondContact O-CG1 3.49Å; P352-I356 PolarHBondContact O-N 2.65Å; P352-F420 VanDerWaalsContact CD-CD1 3.47Å; P352-F420 HydrophobicContact CG-CD1 3.61Å; P352-F420 HydrophobicContact CG-CE1 3.83Å; P352-L421 HydrophobicContact CB-CD2 3.78Å; P352-L421 HydrophobicContact CB-CG 4.27Å; P352-L421 HydrophobicContact CG-CD2 3.73Å; P352-L421 HydrophobicContact CG-CG 4.04Å
353	I	97.4	Very high	96.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-48.6	-169.3	-68.7	171.4	0	0	0	111.5	I136 L313 N351 C355 I356 F357 C386 V390 L399 F420	I136-I353 HydrophobicContact CD1-CG2 3.63Å; L313-I353 HydrophobicContact CD2-CB 4.4Å; L313-I353 HydrophobicContact CD2-CD1 3.59Å; L313-I353 HydrophobicContact CD2-CG2 4.08Å; N351-I353 VanDerWaalsContact OD1-CB 3.28Å; N351-I353 WeakPolarHBondContact OD1-CB 3.48Å; N351-I353 WeakPolarHBondContact OD1-CD1 3.5Å; N351-I353 WeakPolarHBondContact OD1-CG1 3.45Å; N351-I353 PolarHBondContact OD1-N 2.95Å; I353-C355 PolarHBondContact O-N 3.16Å; I353-I356 PolarHBondContact O-N 2.61Å; I353-I356 VanDerWaalsContact O-N 3.08Å; I353-F357 HydrophobicContact CG2-CD2 3.68Å; I353-F357 HydrophobicContact CG2-CE2 3.73Å; I353-F357 WeakPolarHBondContact O-CB 3.5Å; I353-F357 VanDerWaalsContact O-CD2 3.31Å; I353-F357 WeakPolarHBondContact O-CD2 3.47Å; I353-F357 PolarHBondContact O-N 2.89Å; I353-C386 HydrophobicContact CG1-CB 4.37Å; I353-V390 HydrophobicContact CD1-CG2 3.74Å; I353-L399 HydrophobicContact CD1-CD1 4.39Å; I353-F420 HydrophobicContact CD1-CE1 4.15Å; I353-F420 HydrophobicContact CD1-CZ 4Å; I353-F420 HydrophobicContact CG1-CE1 3.96Å; I353-F420 HydrophobicContact CG1-CZ 4.23Å
354	A	96.1	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-37.2	177.7	0	0	0	0	0	112.5	G312 P352 F357 A358	G312-A354 PolarHBondContact O-N 3.05Å; G312-A354 VanDerWaalsContact O-N 3.15Å; P352-A354 PolarHBondContact O-N 3.08Å; A354-F357 PolarHBondContact O-N 3.17Å; A354-A358 PolarHBondContact O-N 2.86Å
355	C	97.3	Very high	97.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-69.2	-40	175.4	-65.3	0	0	0	0	112.4	W47 I50 P352 I353 F357 A358 W359	W47-C355 HydrophobicContact CE3-CB 3.83Å; W47-C355 HydrophobicContact CZ3-CB 3.82Å; I50-C355 HydrophobicContact CD1-CB 3.4Å; P352-C355 WeakPolarHBondContact O-CB 3.26Å; P352-C355 PolarHBondContact O-N 3.07Å; P352-C355 VanDerWaalsContact O-N 3.08Å; I353-C355 PolarHBondContact O-N 3.16Å; C355-F357 VanDerWaalsContact C-N 3.31Å; C355-A358 WeakPolarHBondContact O-CB 3.46Å; C355-A358 PolarHBondContact O-N 3.24Å; C355-W359 PolarHBondContact O-N 3.29Å
356	I	98.5	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.5	-40.7	174.8	-63.6	165.8	0	0	0	110.1	I50 L54 P352 I353 W359 T360 L382 L421 I424	I50-I356 HydrophobicContact CD1-CG1 3.67Å; I50-I356 HydrophobicContact CG1-CG1 3.81Å; I50-I356 HydrophobicContact CG2-CG1 4.2Å; L54-I356 HydrophobicContact CD1-CD1 3.7Å; L54-I356 HydrophobicContact CD1-CG1 3.95Å; P352-I356 HydrophobicContact CB-CD1 4.27Å; P352-I356 HydrophobicContact CG-CD1 4.22Å; P352-I356 WeakPolarHBondContact O-CG1 3.49Å; P352-I356 PolarHBondContact O-N 2.65Å; I353-I356 PolarHBondContact O-N 2.61Å; I353-I356 VanDerWaalsContact O-N 3.08Å; I356-W359 WeakPolarHBondContact O-CB 3.32Å; I356-W359 PolarHBondContact O-N 3.01Å; I356-T360 HydrophobicContact CG2-CG2 4.45Å; I356-T360 PolarHBondContact O-N 3.48Å; I356-T360 PolarHBondContact O-OG1 3.44Å; I356-T360 VanDerWaalsContact O-OG1 3.11Å; I356-L382 HydrophobicContact CG2-CD1 3.87Å; I356-L382 HydrophobicContact CG2-CD2 3.9Å; I356-L382 HydrophobicContact CG2-CG 3.69Å; I356-L421 HydrophobicContact CD1-CD2 4.03Å; I356-I424 HydrophobicContact CD1-CD1 3.7Å
357	F	98.3	Very high	97.4	Very high	5 Å²	5	12.7 Å²	12.7	2%	0.022	7%	0.069	C	C	.	.	H	α-helix	trans	-67.8	-35.4	177.1	-85.5	-117.1	0	0	0	111.8	I136 T315 I353 A354 C355 W359 T360 R361 E383 C386	I136-F357 HydrophobicContact CB-CE1 4.5Å; I136-F357 HydrophobicContact CD1-CB 3.99Å; I136-F357 HydrophobicContact CD1-CD1 3.39Å; I136-F357 HydrophobicContact CD1-CD2 3.79Å; I136-F357 HydrophobicContact CD1-CE1 3.68Å; I136-F357 HydrophobicContact CD1-CE2 4.06Å; I136-F357 HydrophobicContact CD1-CG 3.43Å; I136-F357 VanDerWaalsContact CD1-CG 3.43Å; I136-F357 HydrophobicContact CD1-CZ 4Å; I136-F357 HydrophobicContact CG1-CD1 3.8Å; I136-F357 HydrophobicContact CG1-CE1 3.75Å; I136-F357 HydrophobicContact CG1-CG 4.35Å; I136-F357 HydrophobicContact CG1-CZ 4.28Å; I136-F357 HydrophobicContact CG2-CE1 3.95Å; I136-F357 HydrophobicContact CG2-CE2 4.4Å; I136-F357 HydrophobicContact CG2-CZ 3.74Å; T315-F357 HydrophobicContact CG2-CB 4.1Å; T315-F357 HydrophobicContact CG2-CD1 3.57Å; T315-F357 HydrophobicContact CG2-CE1 4.46Å; T315-F357 HydrophobicContact CG2-CG 4.26Å; I353-F357 HydrophobicContact CG2-CD2 3.68Å; I353-F357 HydrophobicContact CG2-CE2 3.73Å; I353-F357 WeakPolarHBondContact O-CB 3.5Å; I353-F357 VanDerWaalsContact O-CD2 3.31Å; I353-F357 WeakPolarHBondContact O-CD2 3.47Å; I353-F357 PolarHBondContact O-N 2.89Å; A354-F357 PolarHBondContact O-N 3.17Å; C355-F357 VanDerWaalsContact C-N 3.31Å; F357-W359 VanDerWaalsContact C-N 3.32Å; F357-W359 PolarHBondContact O-N 3.45Å; F357-T360 VanDerWaalsContact CA-OG1 3.26Å; F357-T360 WeakPolarHBondContact CA-OG1 3.37Å; F357-T360 PolarHBondContact O-N 2.92Å; F357-T360 PolarHBondContact O-OG1 3.21Å; F357-R361 VanDerWaalsContact O-CB 3.31Å; F357-R361 WeakPolarHBondContact O-CB 3.44Å; F357-R361 WeakPolarHBondContact O-CG 2.99Å; F357-R361 PolarHBondContact O-N 2.91Å; F357-E383 HydrophobicContact CD1-CG 3.97Å; F357-E383 WeakPolarHBondContact CD1-OE1 3.24Å; F357-E383 HydrophobicContact CD2-CG 4.3Å; F357-E383 HydrophobicContact CE1-CB 3.92Å; F357-E383 VanDerWaalsContact CE1-CD 3.43Å; F357-E383 HydrophobicContact CE1-CG 3.63Å; F357-E383 WeakPolarHBondContact CE1-OE1 3.48Å; F357-E383 HydrophobicContact CE2-CB 4.06Å; F357-E383 HydrophobicContact CE2-CG 3.97Å; F357-E383 HydrophobicContact CG-CG 4.33Å; F357-E383 HydrophobicContact CZ-CB 3.55Å; F357-E383 HydrophobicContact CZ-CG 3.64Å; F357-C386 HydrophobicContact CE2-CB 3.89Å
358	A	98.3	Very high	97.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-56.5	-47.3	171.2	0	0	0	0	0	111.6	W47 S328 E329 A354 C355 G362	W47-A358 HydrophobicContact CH2-CB 3.84Å; W47-A358 HydrophobicContact CZ3-CB 4.07Å; S328-A358 WeakPolarHBondContact CB-O 3.37Å; S328-A358 WeakPolarHBondContact OG-CA 3.44Å; S328-A358 PolarHBondContact OG-O 3.44Å; E329-A358 VanDerWaalsContact C-CB 3.49Å; A354-A358 PolarHBondContact O-N 2.86Å; C355-A358 WeakPolarHBondContact O-CB 3.46Å; C355-A358 PolarHBondContact O-N 3.24Å; A358-G362 PolarHBondContact O-N 2.85Å; A358-G362 VanDerWaalsContact O-N 3.11Å
359	W	98.6	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-51.5	175	-88.4	96.2	0	0	0	113.2	V34 D36 W47 I50 K51 I55 I95 C355 I356 F357 R361 G362 L363	V34-W359 HydrophobicContact CG2-CZ3 4.42Å; D36-W359 HydrophobicContact CB-CH2 4.14Å; D36-W359 HydrophobicContact CB-CZ2 4.4Å; W47-W359 AromaticContact CD2-NE1 3.57Å; W47-W359 AromaticContact CE2-CE2 3.86Å; W47-W359 AromaticContact CE2-NE1 3.15Å; W47-W359 AromaticContact CE3-NE1 3.93Å; W47-W359 AromaticContact CH2-CD1 3.68Å; W47-W359 AromaticContact CH2-NE1 3.58Å; W47-W359 AromaticContact CZ2-CD1 3.78Å; W47-W359 AromaticContact CZ2-CE2 3.76Å; W47-W359 HydrophobicContact CZ2-CZ2 4.13Å; W47-W359 AromaticContact CZ2-NE1 3.16Å; W47-W359 AromaticContact CZ3-CD1 3.89Å; W47-W359 AromaticContact CZ3-NE1 3.94Å; W47-W359 AromaticContact NE1-CZ2 3.84Å; W47-W359 AromaticContact NE1-NE1 3.66Å; I50-W359 HydrophobicContact CG2-CG 4.41Å; K51-W359 HydrophobicContact CD-CH2 4.09Å; K51-W359 HydrophobicContact CD-CZ2 3.55Å; K51-W359 HydrophobicContact CG-CH2 4.15Å; K51-W359 HydrophobicContact CG-CZ2 3.5Å; I55-W359 HydrophobicContact CD1-CB 3.87Å; I55-W359 HydrophobicContact CD1-CD2 4.45Å; I55-W359 HydrophobicContact CD1-CG 4.17Å; I55-W359 HydrophobicContact CG1-CB 4.35Å; I55-W359 HydrophobicContact CG1-CD2 4.04Å; I55-W359 HydrophobicContact CG1-CE3 4.19Å; I55-W359 HydrophobicContact CG1-CG 4.09Å; I55-W359 HydrophobicContact CG2-CE3 4.08Å; I55-W359 HydrophobicContact CG2-CZ3 4.31Å; I95-W359 HydrophobicContact CD1-CD2 4.22Å; I95-W359 HydrophobicContact CD1-CE3 3.52Å; I95-W359 HydrophobicContact CD1-CH2 4.43Å; I95-W359 HydrophobicContact CD1-CZ3 3.68Å; I95-W359 HydrophobicContact CG2-CB 4.44Å; I95-W359 HydrophobicContact CG2-CD2 3.85Å; I95-W359 HydrophobicContact CG2-CE3 4.22Å; I95-W359 HydrophobicContact CG2-CG 3.98Å; I95-W359 HydrophobicContact CG2-CZ2 4.44Å; C355-W359 PolarHBondContact O-N 3.29Å; I356-W359 WeakPolarHBondContact O-CB 3.32Å; I356-W359 PolarHBondContact O-N 3.01Å; F357-W359 VanDerWaalsContact C-N 3.32Å; F357-W359 PolarHBondContact O-N 3.45Å; W359-R361 PolarHBondContact O-N 2.86Å; W359-G362 PolarHBondContact O-N 3.35Å; W359-L363 HydrophobicContact CE3-CD1 4.09Å; W359-L363 HydrophobicContact CE3-CG 4.29Å; W359-L363 WeakPolarHBondContact O-CB 3.35Å; W359-L363 VanDerWaalsContact O-CG 3.3Å; W359-L363 WeakPolarHBondContact O-CG 3.49Å; W359-L363 PolarHBondContact O-N 3.02Å
360	T	98.6	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-36.5	-176.7	49.8	0	0	0	0	112.2	I356 F357 L363 E364 C379 L382 E383	I356-T360 HydrophobicContact CG2-CG2 4.45Å; I356-T360 PolarHBondContact O-N 3.48Å; I356-T360 PolarHBondContact O-OG1 3.44Å; I356-T360 VanDerWaalsContact O-OG1 3.11Å; F357-T360 VanDerWaalsContact CA-OG1 3.26Å; F357-T360 WeakPolarHBondContact CA-OG1 3.37Å; F357-T360 PolarHBondContact O-N 2.92Å; F357-T360 PolarHBondContact O-OG1 3.21Å; T360-L363 PolarHBondContact O-N 3.18Å; T360-E364 WeakPolarHBondContact O-CA 3.36Å; T360-E364 WeakPolarHBondContact O-CB 3.46Å; T360-E364 PolarHBondContact O-N 2.94Å; T360-C379 HydrophobicContact CG2-CB 4.29Å; T360-C379 PolarHBondContact O-SG 3.1Å; T360-C379 VanDerWaalsContact O-SG 3.4Å; T360-L382 HydrophobicContact CG2-CB 3.92Å; T360-L382 HydrophobicContact CG2-CD2 3.57Å; T360-L382 HydrophobicContact CG2-CG 3.73Å; T360-E383 HydrophobicContact CG2-CG 4.13Å; T360-E383 WeakPolarHBondContact OG1-CG 2.94Å; T360-E383 PolarHBondContact OG1-OE1 3.23Å
361	R	98.3	Very high	97.9	Very high	60 Å²	60	19.5 Å²	19.5	23%	0.226	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-41.5	175.9	-65.2	-65.3	166.8	-168.9	0.5	112.6	V317 S328 F357 W359 E364 H365 E383	V317-R361 HydrophobicContact CG2-CB 4.08Å; V317-R361 HydrophobicContact CG2-CG 4.34Å; S328-R361 WeakPolarHBondContact OG-CB 3.19Å; F357-R361 VanDerWaalsContact O-CB 3.31Å; F357-R361 WeakPolarHBondContact O-CB 3.44Å; F357-R361 WeakPolarHBondContact O-CG 2.99Å; F357-R361 PolarHBondContact O-N 2.91Å; W359-R361 PolarHBondContact O-N 2.86Å; R361-E364 IonicContact CZ-OE2 2.73Å; R361-E364 IonicContact NH1-OE2 3.93Å; R361-E364 PolarHBondContact NH1-OE2 3.08Å; R361-H365 WeakPolarHBondContact O-CB 3.43Å; R361-H365 PolarHBondContact O-N 3.31Å; R361-H365 VanDerWaalsContact O-N 3.09Å; R361-E383 IonicContact CZ-OE1 3.72Å; R361-E383 IonicContact CZ-OE2 2.8Å; R361-E383 IonicContact NE-OE1 2.68Å; R361-E383 PolarHBondContact NE-OE1 3.15Å; R361-E383 IonicContact NH1-OE1 3.85Å; R361-E383 IonicContact NH1-OE2 2.66Å; R361-E383 IonicContact NH2-OE1 3.19Å; R361-E383 PolarHBondContact NH2-OE1 3.34Å; R361-E383 IonicContact NH2-OE2 3.28Å; R361-E383 PolarHBondContact NH2-OE2 2.73Å
362	G	98.6	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.4	-50	172.4	0	0	0	0	0	112.6	V93 A358 W359 H365 R366	V93-G362 VanDerWaalsContact CG1-O 3.3Å; V93-G362 WeakPolarHBondContact CG1-O 3.39Å; A358-G362 PolarHBondContact O-N 2.85Å; A358-G362 VanDerWaalsContact O-N 3.11Å; W359-G362 PolarHBondContact O-N 3.35Å; G362-H365 PolarHBondContact O-N 2.9Å; G362-R366 PolarHBondContact O-N 3.4Å
363	L	98.8	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-36.5	179.6	-70	175.7	0	0	0	112.9	V34 I55 V61 I95 W359 T360 H365 R366 G367 L375 F378 C379	V34-L363 HydrophobicContact CG1-CD2 4.28Å; I55-L363 HydrophobicContact CD1-CD1 4.29Å; I55-L363 HydrophobicContact CG2-CD1 3.99Å; V61-L363 HydrophobicContact CG1-CD2 4.48Å; V61-L363 HydrophobicContact CG2-CD2 4.29Å; I95-L363 HydrophobicContact CD1-CD2 4.44Å; I95-L363 HydrophobicContact CD1-CG 4.2Å; W359-L363 HydrophobicContact CE3-CD1 4.09Å; W359-L363 HydrophobicContact CE3-CG 4.29Å; W359-L363 WeakPolarHBondContact O-CB 3.35Å; W359-L363 VanDerWaalsContact O-CG 3.3Å; W359-L363 WeakPolarHBondContact O-CG 3.49Å; W359-L363 PolarHBondContact O-N 3.02Å; T360-L363 PolarHBondContact O-N 3.18Å; L363-H365 VanDerWaalsContact C-N 3.31Å; L363-H365 PolarHBondContact O-N 3.44Å; L363-R366 WeakPolarHBondContact O-CB 3.24Å; L363-R366 PolarHBondContact O-N 2.83Å; L363-G367 PolarHBondContact O-N 3.4Å; L363-L375 HydrophobicContact CB-CD1 4.19Å; L363-L375 HydrophobicContact CB-CD2 4.42Å; L363-L375 HydrophobicContact CB-CG 4.35Å; L363-L375 HydrophobicContact CD2-CD1 4.5Å; L363-L375 WeakPolarHBondContact O-CD2 3.36Å; L363-F378 HydrophobicContact CD1-CE1 4.32Å; L363-C379 VanDerWaalsContact CB-SG 3.51Å
364	E	98.5	Very high	98.1	Very high	18 Å²	18	32.7 Å²	32.7	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-44.3	174.4	-174.3	-166.7	170.2	0	0	109.9	T360 R361 G367 K368 I376 C379 H380	T360-E364 WeakPolarHBondContact O-CA 3.36Å; T360-E364 WeakPolarHBondContact O-CB 3.46Å; T360-E364 PolarHBondContact O-N 2.94Å; R361-E364 IonicContact CZ-OE2 2.73Å; R361-E364 IonicContact NH1-OE2 3.93Å; R361-E364 PolarHBondContact NH1-OE2 3.08Å; E364-G367 CarbonylContact O-C 3.52Å; E364-G367 WeakPolarHBondContact O-CA 3.43Å; E364-G367 PolarHBondContact O-N 3.15Å; E364-G367 VanDerWaalsContact O-N 3.16Å; E364-K368 WeakPolarHBondContact O-CG 3.37Å; E364-K368 PolarHBondContact O-N 2.8Å; E364-K368 VanDerWaalsContact OE1-CE 3.27Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 2.88Å; E364-K368 PolarHBondContact OE1-NZ 2.98Å; E364-I376 HydrophobicContact CG-CG1 4.49Å; E364-I376 HydrophobicContact CG-CG2 4.33Å; E364-C379 HydrophobicContact CB-CB 4.09Å; E364-C379 PolarHBondContact N-SG 2.96Å; E364-H380 IonicContact OE1-NE2 3.25Å; E364-H380 PolarHBondContact OE1-NE2 2.96Å
365	H	98.2	Very high	98.2	Very high	23 Å²	23	32.7 Å²	32.7	11%	0.106	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176.8	-167.3	74.9	0	0	0	112.6	K324 I326 R361 G362 L363 G367 K368 L369	K324-H365 PolarHBondContact O-NE2 3.2Å; I326-H365 HydrophobicContact CD1-CB 3.3Å; I326-H365 HydrophobicContact CG1-CB 4Å; R361-H365 WeakPolarHBondContact O-CB 3.43Å; R361-H365 PolarHBondContact O-N 3.31Å; R361-H365 VanDerWaalsContact O-N 3.09Å; G362-H365 PolarHBondContact O-N 2.9Å; L363-H365 VanDerWaalsContact C-N 3.31Å; L363-H365 PolarHBondContact O-N 3.44Å; H365-G367 PolarHBondContact O-N 2.85Å; H365-K368 WeakPolarHBondContact O-CB 3.33Å; H365-K368 PolarHBondContact O-N 2.84Å; H365-K368 VanDerWaalsContact O-N 3.1Å; H365-L369 WeakPolarHBondContact O-CG 3.4Å; H365-L369 PolarHBondContact O-N 3.08Å
366	R	98.5	Very high	98.3	Very high	9 Å²	9	33.9 Å²	33.9	3%	0.034	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-43	169.2	175.7	47.4	48.3	-147.2	-7	111	V30 P33 V34 Y91 V93 G362 L363 K368 L369 D370 L375	V30-R366 HydrophobicContact CG1-CG 3.5Å; V30-R366 VanDerWaalsContact CG1-CG 3.5Å; P33-R366 PolarHBondContact O-NE 3.03Å; V34-R366 HydrophobicContact CG1-CB 4.03Å; V34-R366 HydrophobicContact CG1-CG 3.96Å; Y91-R366 PolarHBondContact O-NH2 2.73Å; V93-R366 HydrophobicContact CG2-CB 4.14Å; G362-R366 PolarHBondContact O-N 3.4Å; L363-R366 WeakPolarHBondContact O-CB 3.24Å; L363-R366 PolarHBondContact O-N 2.83Å; R366-K368 VanDerWaalsContact C-N 3.35Å; R366-K368 PolarHBondContact O-N 3.29Å; R366-L369 PolarHBondContact O-N 3.19Å; R366-D370 WeakPolarHBondContact CD-OD1 3.38Å; R366-D370 WeakPolarHBondContact CD-OD2 3.46Å; R366-D370 IonicContact CZ-OD1 2.61Å; R366-D370 IonicContact NH1-OD1 2.89Å; R366-D370 PolarHBondContact NH1-OD1 3.08Å; R366-D370 WeakPolarHBondContact O-CB 3.48Å; R366-D370 PolarHBondContact O-N 3.35Å; R366-L375 HydrophobicContact CB-CD2 4.33Å; R366-L375 HydrophobicContact CG-CD2 4.16Å
367	G	98.4	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-41.7	175.5	0	0	0	0	0	112.9	L363 E364 H365 D370 G371 N372	L363-G367 PolarHBondContact O-N 3.4Å; E364-G367 CarbonylContact O-C 3.52Å; E364-G367 WeakPolarHBondContact O-CA 3.43Å; E364-G367 PolarHBondContact O-N 3.15Å; E364-G367 VanDerWaalsContact O-N 3.16Å; H365-G367 PolarHBondContact O-N 2.85Å; G367-D370 PolarHBondContact O-N 3.1Å; G367-G371 CarbonylContact O-C 3.59Å; G367-G371 WeakPolarHBondContact O-CA 3.47Å; G367-G371 PolarHBondContact O-N 3.31Å; G367-N372 PolarHBondContact O-N 3.28Å
368	K	97.8	Very high	98.2	Very high	118 Å²	118	41.6 Å²	41.6	51%	0.513	21%	0.207	S	C	.	.	H	α-helix	trans	-64.5	-46	175.5	-70.5	169.2	-175.6	163.6	0	111.9	E364 H365 R366 D370 G371 I376	E364-K368 WeakPolarHBondContact O-CG 3.37Å; E364-K368 PolarHBondContact O-N 2.8Å; E364-K368 VanDerWaalsContact OE1-CE 3.27Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 2.88Å; E364-K368 PolarHBondContact OE1-NZ 2.98Å; H365-K368 WeakPolarHBondContact O-CB 3.33Å; H365-K368 PolarHBondContact O-N 2.84Å; H365-K368 VanDerWaalsContact O-N 3.1Å; R366-K368 VanDerWaalsContact C-N 3.35Å; R366-K368 PolarHBondContact O-N 3.29Å; K368-D370 VanDerWaalsContact C-N 3.3Å; K368-D370 PolarHBondContact O-N 3.06Å; K368-G371 PolarHBondContact O-N 3.49Å; K368-I376 HydrophobicContact CG-CD1 3.95Å
369	L	97.9	Very high	98.2	Very high	66 Å²	66	41.6 Å²	41.6	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-36.3	178.7	-67.4	177.2	0	0	0	112.5	N92 V93 K324 H365 R366	N92-L369 HydrophobicContact CB-CD1 3.87Å; V93-L369 HydrophobicContact CG2-CD1 4.17Å; K324-L369 HydrophobicContact CB-CD2 4.42Å; K324-L369 HydrophobicContact CG-CD2 4.44Å; H365-L369 WeakPolarHBondContact O-CG 3.4Å; H365-L369 PolarHBondContact O-N 3.08Å; R366-L369 PolarHBondContact O-N 3.19Å
370	D	97.8	Very high	98.2	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.219	23%	0.225	C	C	.	.	H	α-helix	trans	-90.6	-6.4	-177.6	-68	4.2	0	0	0	113.4	N32 R366 G367 K368 N372	N32-D370 PolarHBondContact N-OD2 3.28Å; N32-D370 PolarHBondContact ND2-OD1 2.94Å; R366-D370 WeakPolarHBondContact CD-OD1 3.38Å; R366-D370 WeakPolarHBondContact CD-OD2 3.46Å; R366-D370 IonicContact CZ-OD1 2.61Å; R366-D370 IonicContact NH1-OD1 2.89Å; R366-D370 PolarHBondContact NH1-OD1 3.08Å; R366-D370 WeakPolarHBondContact O-CB 3.48Å; R366-D370 PolarHBondContact O-N 3.35Å; G367-D370 PolarHBondContact O-N 3.1Å; K368-D370 VanDerWaalsContact C-N 3.3Å; K368-D370 PolarHBondContact O-N 3.06Å; D370-N372 HydrophobicContact CB-CB 4.2Å; D370-N372 PolarHBondContact O-N 2.68Å
371	G	98.1	Very high	98.2	Very high	56 Å²	56	46.9 Å²	46.9	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	23.9	-170	0	0	0	0	0	113.8	G367 K368 N373	G367-G371 CarbonylContact O-C 3.59Å; G367-G371 WeakPolarHBondContact O-CA 3.47Å; G367-G371 PolarHBondContact O-N 3.31Å; K368-G371 PolarHBondContact O-N 3.49Å; G371-N373 PolarHBondContact O-N 2.76Å
372	N	98.2	Very high	98.2	Very high	28 Å²	28	44 Å²	44	15%	0.15	22%	0.221	C	C	.	.			trans	-90.3	83.2	-175.3	-171	-14.9	0	0	0	111.9	R29 G367 D370 Q374 L375 I376	R29-N372 PolarHBondContact O-ND2 3.41Å; G367-N372 PolarHBondContact O-N 3.28Å; D370-N372 HydrophobicContact CB-CB 4.2Å; D370-N372 PolarHBondContact O-N 2.68Å; N372-Q374 PolarHBondContact O-N 2.84Å; N372-Q374 PolarHBondContact OD1-N 2.95Å; N372-L375 HydrophobicContact CB-CB 4.16Å; N372-L375 PolarHBondContact O-N 3.35Å; N372-L375 VanDerWaalsContact O-N 3.16Å; N372-L375 PolarHBondContact OD1-N 3.4Å; N372-L375 VanDerWaalsContact OD1-N 3.1Å; N372-I376 PolarHBondContact O-N 3.23Å
373	N	98.2	Very high	98.2	Very high	123 Å²	123	44.8 Å²	44.8	66%	0.658	23%	0.225	S	C	*	.	H	α-helix	trans	-61.9	-25.7	178.7	-70.9	-35.7	0	0	0	114	G371 R377	G371-N373 PolarHBondContact O-N 2.76Å; N373-R377 WeakPolarHBondContact O-CB 3.39Å; N373-R377 PolarHBondContact O-N 2.64Å
374	Q	97.4	Very high	98.2	Very high	137 Å²	137	49.4 Å²	49.4	64%	0.64	25%	0.245	S	C	*	.	H	α-helix	trans	-68.5	-40.4	176.3	-65	-177.9	11.8	0	0	111	V28 N372 R377 F378	V28-Q374 HydrophobicContact CG1-CB 3.95Å; V28-Q374 HydrophobicContact CG2-CB 4.31Å; N372-Q374 PolarHBondContact O-N 2.84Å; N372-Q374 PolarHBondContact OD1-N 2.95Å; Q374-R377 PolarHBondContact O-N 2.64Å; Q374-F378 WeakPolarHBondContact O-CB 3.21Å; Q374-F378 PolarHBondContact O-N 2.77Å
375	L	98.2	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-42.8	175.6	-174.9	61.8	0	0	0	111.5	V28 V30 V59 L363 R366 N372 R377 F378 C379	V28-L375 HydrophobicContact CG1-CB 3.99Å; V28-L375 HydrophobicContact CG1-CD1 4.36Å; V30-L375 HydrophobicContact CG1-CD2 3.98Å; V30-L375 HydrophobicContact CG2-CD1 4Å; V30-L375 HydrophobicContact CG2-CD2 3.78Å; V30-L375 HydrophobicContact CG2-CG 4.46Å; V59-L375 HydrophobicContact CG1-CD1 3.81Å; V59-L375 HydrophobicContact CG2-CD1 4.06Å; L363-L375 HydrophobicContact CB-CD1 4.19Å; L363-L375 HydrophobicContact CB-CD2 4.42Å; L363-L375 HydrophobicContact CB-CG 4.35Å; L363-L375 HydrophobicContact CD2-CD1 4.5Å; L363-L375 WeakPolarHBondContact O-CD2 3.36Å; R366-L375 HydrophobicContact CB-CD2 4.33Å; R366-L375 HydrophobicContact CG-CD2 4.16Å; N372-L375 HydrophobicContact CB-CB 4.16Å; N372-L375 PolarHBondContact O-N 3.35Å; N372-L375 VanDerWaalsContact O-N 3.16Å; N372-L375 PolarHBondContact OD1-N 3.4Å; N372-L375 VanDerWaalsContact OD1-N 3.1Å; L375-R377 PolarHBondContact O-N 2.68Å; L375-F378 HydrophobicContact CD1-CD1 4.29Å; L375-F378 WeakPolarHBondContact O-CB 3.39Å; L375-F378 PolarHBondContact O-N 2.88Å; L375-C379 PolarHBondContact O-N 3.3Å; L375-C379 PolarHBondContact O-SG 2.82Å
376	I	98.5	Very high	98.2	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.138	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-48.3	175.6	-64.2	171.6	0	0	0	110.3	E364 K368 N372 F378 C379 H380	E364-I376 HydrophobicContact CG-CG1 4.49Å; E364-I376 HydrophobicContact CG-CG2 4.33Å; K368-I376 HydrophobicContact CG-CD1 3.95Å; N372-I376 PolarHBondContact O-N 3.23Å; I376-F378 VanDerWaalsContact C-N 3.34Å; I376-F378 PolarHBondContact O-N 2.91Å; I376-C379 WeakPolarHBondContact O-CB 3.42Å; I376-C379 PolarHBondContact O-N 3.36Å; I376-C379 VanDerWaalsContact O-N 3.16Å; I376-H380 VanDerWaalsContact CG2-CE1 3.44Å; I376-H380 WeakPolarHBondContact CG2-CE1 3.44Å; I376-H380 PolarHBondContact O-N 2.85Å
377	R	97.9	Very high	98.2	Very high	155 Å²	155	49 Å²	49	59%	0.585	24%	0.244	S	C	*	.	H	α-helix	trans	-60.7	-42	177.1	-176.8	177	177.6	-174.5	-3.7	112	N373 Q374 L375 C379 H380 N381	N373-R377 WeakPolarHBondContact O-CB 3.39Å; N373-R377 PolarHBondContact O-N 2.64Å; Q374-R377 PolarHBondContact O-N 2.64Å; L375-R377 PolarHBondContact O-N 2.68Å; R377-C379 VanDerWaalsContact C-N 3.32Å; R377-C379 PolarHBondContact O-N 3.35Å; R377-H380 PolarHBondContact O-N 2.75Å; R377-N381 WeakPolarHBondContact O-CB 3.43Å; R377-N381 VanDerWaalsContact O-CG 3.28Å; R377-N381 PolarHBondContact O-N 2.8Å; R377-N381 PolarHBondContact O-OD1 3.04Å
378	F	97.8	Very high	98.2	Very high	12 Å²	12	50.5 Å²	50.5	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-45.6	174.7	163.2	-95.6	0	0	0	111.4	L54 I55 F58 V59 L363 Q374 L375 I376 N381 L382 L428	L54-F378 VanDerWaalsContact O-CZ 3.29Å; L54-F378 WeakPolarHBondContact O-CZ 3.45Å; I55-F378 HydrophobicContact CD1-CE1 4.42Å; I55-F378 HydrophobicContact CD1-CZ 4.37Å; F58-F378 HydrophobicContact CB-CD2 3.9Å; F58-F378 HydrophobicContact CB-CE2 3.39Å; F58-F378 HydrophobicContact CB-CZ 4.12Å; F58-F378 HydrophobicContact CD2-CE2 4.19Å; F58-F378 AromaticContact CG-CE2 3.87Å; F58-F378 HydrophobicContact CG-CE2 3.87Å; V59-F378 HydrophobicContact CG2-CD1 3.47Å; V59-F378 VanDerWaalsContact CG2-CD1 3.47Å; V59-F378 HydrophobicContact CG2-CD2 4.23Å; V59-F378 HydrophobicContact CG2-CE1 3.36Å; V59-F378 HydrophobicContact CG2-CE2 4.14Å; V59-F378 HydrophobicContact CG2-CG 3.92Å; V59-F378 HydrophobicContact CG2-CZ 3.71Å; L363-F378 HydrophobicContact CD1-CE1 4.32Å; Q374-F378 WeakPolarHBondContact O-CB 3.21Å; Q374-F378 PolarHBondContact O-N 2.77Å; L375-F378 HydrophobicContact CD1-CD1 4.29Å; L375-F378 WeakPolarHBondContact O-CB 3.39Å; L375-F378 PolarHBondContact O-N 2.88Å; I376-F378 VanDerWaalsContact C-N 3.34Å; I376-F378 PolarHBondContact O-N 2.91Å; F378-N381 PolarHBondContact O-N 2.88Å; F378-L382 HydrophobicContact CE1-CD2 4.24Å; F378-L382 HydrophobicContact CZ-CD2 3.87Å; F378-L382 PolarHBondContact O-N 3.21Å; F378-L428 HydrophobicContact CE2-CD2 4.22Å
379	C	98.5	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-48.3	178.9	-63.7	0	0	0	0	111.2	T360 L363 E364 L375 I376 R377 N381 L382 E383	T360-C379 HydrophobicContact CG2-CB 4.29Å; T360-C379 PolarHBondContact O-SG 3.1Å; T360-C379 VanDerWaalsContact O-SG 3.4Å; L363-C379 VanDerWaalsContact CB-SG 3.51Å; E364-C379 HydrophobicContact CB-CB 4.09Å; E364-C379 PolarHBondContact N-SG 2.96Å; L375-C379 PolarHBondContact O-N 3.3Å; L375-C379 PolarHBondContact O-SG 2.82Å; I376-C379 WeakPolarHBondContact O-CB 3.42Å; I376-C379 PolarHBondContact O-N 3.36Å; I376-C379 VanDerWaalsContact O-N 3.16Å; R377-C379 VanDerWaalsContact C-N 3.32Å; R377-C379 PolarHBondContact O-N 3.35Å; C379-N381 VanDerWaalsContact C-N 3.33Å; C379-N381 PolarHBondContact O-N 3.22Å; C379-L382 PolarHBondContact O-N 2.98Å; C379-E383 WeakPolarHBondContact O-CG 3.45Å; C379-E383 PolarHBondContact O-N 3.06Å
380	H	98.3	Very high	98.2	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.389	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-38.8	177.1	-63.2	165.7	0	0	0	112.6	E364 I376 R377 K384	E364-H380 IonicContact OE1-NE2 3.25Å; E364-H380 PolarHBondContact OE1-NE2 2.96Å; I376-H380 VanDerWaalsContact CG2-CE1 3.44Å; I376-H380 WeakPolarHBondContact CG2-CE1 3.44Å; I376-H380 PolarHBondContact O-N 2.85Å; R377-H380 PolarHBondContact O-N 2.75Å; H380-K384 VanDerWaalsContact O-CB 3.24Å; H380-K384 WeakPolarHBondContact O-CB 3.27Å; H380-K384 PolarHBondContact O-N 2.61Å
381	N	98.3	Very high	98.2	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-40.3	175.8	-76.4	0.2	0	0	0	112.2	R377 F378 C379 K384 A385 L428 I431 N432	R377-N381 WeakPolarHBondContact O-CB 3.43Å; R377-N381 VanDerWaalsContact O-CG 3.28Å; R377-N381 PolarHBondContact O-N 2.8Å; R377-N381 PolarHBondContact O-OD1 3.04Å; F378-N381 PolarHBondContact O-N 2.88Å; C379-N381 VanDerWaalsContact C-N 3.33Å; C379-N381 PolarHBondContact O-N 3.22Å; N381-K384 PolarHBondContact O-N 3.19Å; N381-A385 WeakPolarHBondContact O-CB 3.4Å; N381-A385 PolarHBondContact O-N 3.17Å; N381-L428 HydrophobicContact CB-CD1 4.05Å; N381-I431 HydrophobicContact CB-CG2 3.85Å; N381-N432 PolarHBondContact ND2-OD1 2.88Å
382	L	98.6	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-42	177.6	175	53	0	0	0	112.1	L54 I55 I356 T360 F378 C379 K384 A385 C386 I424 L428	L54-L382 HydrophobicContact CB-CD1 4.35Å; L54-L382 HydrophobicContact CB-CD2 4.3Å; L54-L382 HydrophobicContact CD1-CD1 4.34Å; L54-L382 HydrophobicContact CD2-CD1 3.89Å; L54-L382 HydrophobicContact CG-CD1 4.43Å; I55-L382 HydrophobicContact CD1-CD2 3.82Å; I356-L382 HydrophobicContact CG2-CD1 3.87Å; I356-L382 HydrophobicContact CG2-CD2 3.9Å; I356-L382 HydrophobicContact CG2-CG 3.69Å; T360-L382 HydrophobicContact CG2-CB 3.92Å; T360-L382 HydrophobicContact CG2-CD2 3.57Å; T360-L382 HydrophobicContact CG2-CG 3.73Å; F378-L382 HydrophobicContact CE1-CD2 4.24Å; F378-L382 HydrophobicContact CZ-CD2 3.87Å; F378-L382 PolarHBondContact O-N 3.21Å; C379-L382 PolarHBondContact O-N 2.98Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.4Å; L382-A385 WeakPolarHBondContact O-CB 3.38Å; L382-A385 PolarHBondContact O-N 2.8Å; L382-C386 PolarHBondContact O-N 3.14Å; L382-C386 VanDerWaalsContact O-N 3.11Å; L382-C386 PolarHBondContact O-SG 2.89Å; L382-I424 HydrophobicContact CD1-CG2 4.06Å; L382-L428 HydrophobicContact CB-CD1 4.3Å; L382-L428 HydrophobicContact CD1-CD2 4.18Å
383	E	98.4	Very high	98.1	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-44.8	172.2	-70.1	-168	154.1	0	0	111.3	F357 T360 R361 C379 A385 C386 I387	F357-E383 HydrophobicContact CD1-CG 3.97Å; F357-E383 WeakPolarHBondContact CD1-OE1 3.24Å; F357-E383 HydrophobicContact CD2-CG 4.3Å; F357-E383 HydrophobicContact CE1-CB 3.92Å; F357-E383 VanDerWaalsContact CE1-CD 3.43Å; F357-E383 HydrophobicContact CE1-CG 3.63Å; F357-E383 WeakPolarHBondContact CE1-OE1 3.48Å; F357-E383 HydrophobicContact CE2-CB 4.06Å; F357-E383 HydrophobicContact CE2-CG 3.97Å; F357-E383 HydrophobicContact CG-CG 4.33Å; F357-E383 HydrophobicContact CZ-CB 3.55Å; F357-E383 HydrophobicContact CZ-CG 3.64Å; T360-E383 HydrophobicContact CG2-CG 4.13Å; T360-E383 WeakPolarHBondContact OG1-CG 2.94Å; T360-E383 PolarHBondContact OG1-OE1 3.23Å; R361-E383 IonicContact CZ-OE1 3.72Å; R361-E383 IonicContact CZ-OE2 2.8Å; R361-E383 IonicContact NE-OE1 2.68Å; R361-E383 PolarHBondContact NE-OE1 3.15Å; R361-E383 IonicContact NH1-OE1 3.85Å; R361-E383 IonicContact NH1-OE2 2.66Å; R361-E383 IonicContact NH2-OE1 3.19Å; R361-E383 PolarHBondContact NH2-OE1 3.34Å; R361-E383 IonicContact NH2-OE2 3.28Å; R361-E383 PolarHBondContact NH2-OE2 2.73Å; C379-E383 WeakPolarHBondContact O-CG 3.45Å; C379-E383 PolarHBondContact O-N 3.06Å; E383-A385 VanDerWaalsContact C-N 3.32Å; E383-A385 PolarHBondContact O-N 3.38Å; E383-C386 WeakPolarHBondContact O-CB 3.46Å; E383-C386 PolarHBondContact O-N 3.26Å; E383-I387 PolarHBondContact O-N 2.71Å; E383-I387 VanDerWaalsContact O-N 3.16Å
384	K	98.2	Very high	98.1	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-41.1	174.5	-169.2	-171.4	-169.8	-44.4	0	111.8	H380 N381 L382 C386 I387 D388 I431	H380-K384 VanDerWaalsContact O-CB 3.24Å; H380-K384 WeakPolarHBondContact O-CB 3.27Å; H380-K384 PolarHBondContact O-N 2.61Å; N381-K384 PolarHBondContact O-N 3.19Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.4Å; K384-C386 VanDerWaalsContact C-N 3.28Å; K384-C386 PolarHBondContact O-N 2.93Å; K384-I387 PolarHBondContact O-N 3.37Å; K384-D388 IonicContact NZ-OD1 3.11Å; K384-D388 PolarHBondContact NZ-OD1 2.8Å; K384-D388 IonicContact NZ-OD2 2.76Å; K384-D388 PolarHBondContact NZ-OD2 3.33Å; K384-D388 WeakPolarHBondContact O-CB 3.48Å; K384-D388 VanDerWaalsContact O-CG 3.28Å; K384-D388 PolarHBondContact O-N 2.79Å; K384-I431 HydrophobicContact CB-CD1 4.22Å; K384-I431 HydrophobicContact CD-CD1 4.15Å; K384-I431 HydrophobicContact CG-CD1 4.17Å
385	A	98.5	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-38.7	177.3	0	0	0	0	0	112.1	N381 L382 E383 T389 I424 Q427 L428 I431	N381-A385 WeakPolarHBondContact O-CB 3.4Å; N381-A385 PolarHBondContact O-N 3.17Å; L382-A385 WeakPolarHBondContact O-CB 3.38Å; L382-A385 PolarHBondContact O-N 2.8Å; E383-A385 VanDerWaalsContact C-N 3.32Å; E383-A385 PolarHBondContact O-N 3.38Å; A385-T389 VanDerWaalsContact O-CB 3.28Å; A385-T389 WeakPolarHBondContact O-CB 3.33Å; A385-T389 PolarHBondContact O-N 3.14Å; A385-T389 PolarHBondContact O-OG1 2.68Å; A385-I424 HydrophobicContact CB-CG2 4.21Å; A385-Q427 HydrophobicContact CB-CB 4.18Å; A385-Q427 HydrophobicContact CB-CG 4.07Å; A385-L428 HydrophobicContact CB-CB 3.92Å; A385-I431 HydrophobicContact CB-CD1 3.87Å
386	C	98.4	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-50.8	175.2	-62.6	0	0	0	0	111.4	I353 F357 L382 E383 K384 T389 V390	I353-C386 HydrophobicContact CG1-CB 4.37Å; F357-C386 HydrophobicContact CE2-CB 3.89Å; L382-C386 PolarHBondContact O-N 3.14Å; L382-C386 VanDerWaalsContact O-N 3.11Å; L382-C386 PolarHBondContact O-SG 2.89Å; E383-C386 WeakPolarHBondContact O-CB 3.46Å; E383-C386 PolarHBondContact O-N 3.26Å; K384-C386 VanDerWaalsContact C-N 3.28Å; K384-C386 PolarHBondContact O-N 2.93Å; C386-T389 PolarHBondContact O-N 2.77Å; C386-V390 PolarHBondContact O-N 2.97Å; C386-V390 VanDerWaalsContact O-N 3.16Å
387	I	98.2	Very high	97.9	Very high	42 Å²	42	40.7 Å²	40.7	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-51.6	-179.4	-64.2	168.3	0	0	0	110.3	I136 E383 K384 T389 V390 E391	I136-I387 HydrophobicContact CG2-CD1 4.41Å; I136-I387 HydrophobicContact CG2-CG1 4.2Å; E383-I387 PolarHBondContact O-N 2.71Å; E383-I387 VanDerWaalsContact O-N 3.16Å; K384-I387 PolarHBondContact O-N 3.37Å; I387-T389 PolarHBondContact O-N 3.08Å; I387-V390 PolarHBondContact O-N 2.73Å; I387-V390 VanDerWaalsContact O-N 3.14Å; I387-E391 HydrophobicContact CG2-CG 4.14Å; I387-E391 WeakPolarHBondContact O-CB 3.38Å; I387-E391 WeakPolarHBondContact O-CG 3.3Å; I387-E391 PolarHBondContact O-N 3.4Å
388	D	98.4	Very high	97.7	Very high	31 Å²	31	35.2 Å²	35.2	17%	0.166	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-36.8	179.3	-74.4	2.6	0	0	0	112.1	K384 E391 S392 Q427	K384-D388 IonicContact NZ-OD1 3.11Å; K384-D388 PolarHBondContact NZ-OD1 2.8Å; K384-D388 IonicContact NZ-OD2 2.76Å; K384-D388 PolarHBondContact NZ-OD2 3.33Å; K384-D388 WeakPolarHBondContact O-CB 3.48Å; K384-D388 VanDerWaalsContact O-CG 3.28Å; K384-D388 PolarHBondContact O-N 2.79Å; D388-E391 PolarHBondContact O-N 3.44Å; D388-S392 VanDerWaalsContact O-CB 3.28Å; D388-S392 WeakPolarHBondContact O-CB 3.33Å; D388-S392 PolarHBondContact O-N 3.46Å; D388-S392 PolarHBondContact O-OG 3.12Å; D388-Q427 HydrophobicContact CB-CG 3.84Å; D388-Q427 PolarHBondContact OD2-NE2 2.59Å
389	T	98.6	Very high	97.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-48.6	177.9	-60.9	0	0	0	0	110	A385 C386 I387 S392 K394 F420 A423 I424 Q427	A385-T389 VanDerWaalsContact O-CB 3.28Å; A385-T389 WeakPolarHBondContact O-CB 3.33Å; A385-T389 PolarHBondContact O-N 3.14Å; A385-T389 PolarHBondContact O-OG1 2.68Å; C386-T389 PolarHBondContact O-N 2.77Å; I387-T389 PolarHBondContact O-N 3.08Å; T389-S392 PolarHBondContact O-N 3.28Å; T389-S392 PolarHBondContact O-OG 3.12Å; T389-K394 CarbonylContact C-O 3.55Å; T389-K394 HydrophobicContact CG2-CB 3.83Å; T389-K394 PolarHBondContact O-N 2.84Å; T389-F420 HydrophobicContact CG2-CD2 4.1Å; T389-F420 HydrophobicContact CG2-CE2 3.64Å; T389-A423 HydrophobicContact CG2-CB 3.85Å; T389-I424 HydrophobicContact CG2-CG1 4.13Å; T389-Q427 WeakPolarHBondContact OG1-CB 3.34Å
390	V	98	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-47.8	175.5	176.6	0	0	0	0	110.6	C138 N140 V141 I353 C386 I387 S392 G393 K394 M395 L399 F420	C138-V390 HydrophobicContact CB-CB 4.41Å; C138-V390 HydrophobicContact CB-CG1 3.83Å; N140-V390 PolarHBondContact ND2-O 3.13Å; V141-V390 HydrophobicContact CG2-CG1 3.81Å; I353-V390 HydrophobicContact CD1-CG2 3.74Å; C386-V390 PolarHBondContact O-N 2.97Å; C386-V390 VanDerWaalsContact O-N 3.16Å; I387-V390 PolarHBondContact O-N 2.73Å; I387-V390 VanDerWaalsContact O-N 3.14Å; V390-S392 VanDerWaalsContact C-N 3.25Å; V390-S392 PolarHBondContact O-N 3.49Å; V390-G393 PolarHBondContact O-N 3.17Å; V390-K394 VanDerWaalsContact CA-O 3.32Å; V390-K394 WeakPolarHBondContact CA-O 3.16Å; V390-M395 HydrophobicContact CG1-CB 4.43Å; V390-L399 HydrophobicContact CG1-CD1 3.93Å; V390-L399 HydrophobicContact CG2-CD1 3.82Å; V390-F420 HydrophobicContact CG2-CE2 4.18Å; V390-F420 HydrophobicContact CG2-CZ 3.83Å
391	E	97.6	Very high	97.4	Very high	81 Å²	81	33.1 Å²	33.1	38%	0.379	18%	0.176	S	C	.	.	H	α-helix	trans	-65.6	-25	-179.2	-70	-174.8	168.2	0	0	113.5	C138 A139 N140 I387 D388 G393	C138-E391 HydrophobicContact CB-CG 4.35Å; A139-E391 VanDerWaalsContact CB-OE1 3.31Å; A139-E391 WeakPolarHBondContact CB-OE1 3.3Å; A139-E391 PolarHBondContact N-OE1 2.59Å; N140-E391 WeakPolarHBondContact ND2-CA 3.29Å; I387-E391 HydrophobicContact CG2-CG 4.14Å; I387-E391 WeakPolarHBondContact O-CB 3.38Å; I387-E391 WeakPolarHBondContact O-CG 3.3Å; I387-E391 PolarHBondContact O-N 3.4Å; D388-E391 PolarHBondContact O-N 3.44Å; E391-G393 PolarHBondContact O-N 3.25Å
392	S	97.6	Very high	97.1	Very high	74 Å²	74	33.6 Å²	33.6	52%	0.517	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.7	171.2	78	0	0	0	0	114.3	D388 T389 V390	D388-S392 VanDerWaalsContact O-CB 3.28Å; D388-S392 WeakPolarHBondContact O-CB 3.33Å; D388-S392 PolarHBondContact O-N 3.46Å; D388-S392 PolarHBondContact O-OG 3.12Å; T389-S392 PolarHBondContact O-N 3.28Å; T389-S392 PolarHBondContact O-OG 3.12Å; V390-S392 VanDerWaalsContact C-N 3.25Å; V390-S392 PolarHBondContact O-N 3.49Å
393	G	96.9	Very high	96.9	Very high	44 Å²	44	36.5 Å²	36.5	45%	0.454	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	0.7	-179.7	0	0	0	0	0	114.7	V390 E391	V390-G393 PolarHBondContact O-N 3.17Å; E391-G393 PolarHBondContact O-N 3.25Å
394	K	98.3	Very high	96.7	Very high	103 Å²	103	39 Å²	39	45%	0.448	21%	0.208	S	C	.	.			trans	-92.8	114.7	174.7	-66.7	-179.7	-174.6	178.4	0	109	T389 V390 L415 F420 A423	T389-K394 CarbonylContact C-O 3.55Å; T389-K394 HydrophobicContact CG2-CB 3.83Å; T389-K394 PolarHBondContact O-N 2.84Å; V390-K394 VanDerWaalsContact CA-O 3.32Å; V390-K394 WeakPolarHBondContact CA-O 3.16Å; K394-L415 HydrophobicContact CB-CD1 3.8Å; K394-L415 HydrophobicContact CD-CD1 4.42Å; K394-L415 HydrophobicContact CG-CD1 4.22Å; K394-F420 VanDerWaalsContact O-CE2 3.24Å; K394-F420 WeakPolarHBondContact O-CE2 3.41Å; K394-A423 HydrophobicContact CD-CB 3.9Å
395	M	97.8	Very high	96.5	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.039	20%	0.202	C	C	.	.			trans	-153.4	166.7	-174.7	65.5	-168.3	74.7	0	0	112.8	V390 L399 A400 I403 Y414 L415	V390-M395 HydrophobicContact CG1-CB 4.43Å; M395-L399 HydrophobicContact CB-CB 3.97Å; M395-L399 HydrophobicContact CB-CD1 4.13Å; M395-L399 HydrophobicContact CG-CB 4.06Å; M395-L399 HydrophobicContact SD-CB 3.82Å; M395-A400 HydrophobicContact CG-CB 4.25Å; M395-A400 HydrophobicContact SD-CB 4.39Å; M395-I403 HydrophobicContact CE-CD1 3.54Å; M395-I403 HydrophobicContact SD-CD1 3.43Å; M395-I403 WeakPolarHBondContact SD-CD1 3.17Å; M395-I403 HydrophobicContact SD-CG1 4.49Å; M395-Y414 CarbonylContact O-C 3.57Å; M395-Y414 VanDerWaalsContact O-CA 3.26Å; M395-Y414 WeakPolarHBondContact O-CA 3.19Å; M395-Y414 WeakPolarHBondContact O-CB 3.33Å; M395-L415 PolarHBondContact O-N 3Å
396	T	97	Very high	96.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.			trans	-80	166.3	173.8	48.8	0	0	0	0	112.1	S349 N351 D398 L399 A400 F420	S349-T396 WeakPolarHBondContact OG-CA 3.4Å; S349-T396 WeakPolarHBondContact OG-CB 3.23Å; N351-T396 WeakPolarHBondContact CB-OG1 3.35Å; T396-D398 VanDerWaalsContact C-N 3.3Å; T396-D398 VanDerWaalsContact CB-OD1 3.24Å; T396-D398 WeakPolarHBondContact CB-OD1 3.2Å; T396-D398 PolarHBondContact O-N 2.89Å; T396-D398 PolarHBondContact OG1-OD1 3.4Å; T396-L399 PolarHBondContact O-N 2.92Å; T396-L399 VanDerWaalsContact O-N 3.14Å; T396-A400 PolarHBondContact O-N 3.29Å; T396-F420 HydrophobicContact CG2-CB 4.05Å; T396-F420 HydrophobicContact CG2-CD1 3.61Å; T396-F420 HydrophobicContact CG2-CE1 4.19Å; T396-F420 HydrophobicContact CG2-CG 3.83Å
397	K	95.4	Very high	96	Very high	78 Å²	78	51.2 Å²	51.2	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-35.7	-171.5	-175.1	173.3	-175.2	164.1	0	113.3	S349 A400 I401 V409 Y414	S349-K397 PolarHBondContact OG-N 2.8Å; K397-A400 PolarHBondContact O-N 3.13Å; K397-I401 HydrophobicContact CG-CD1 4.05Å; K397-I401 HydrophobicContact CG-CG1 4.47Å; K397-I401 WeakPolarHBondContact O-CB 3.24Å; K397-I401 WeakPolarHBondContact O-CD1 3.49Å; K397-I401 WeakPolarHBondContact O-CG1 3.37Å; K397-I401 PolarHBondContact O-N 3.32Å; K397-V409 HydrophobicContact CG-CG2 4.49Å; K397-Y414 HydrophobicContact CB-CD1 3.99Å; K397-Y414 HydrophobicContact CB-CD2 3.84Å; K397-Y414 HydrophobicContact CB-CE1 4.29Å; K397-Y414 HydrophobicContact CB-CE2 4.18Å; K397-Y414 HydrophobicContact CB-CG 3.75Å; K397-Y414 HydrophobicContact CD-CD1 4.32Å; K397-Y414 HydrophobicContact CD-CE1 3.8Å; K397-Y414 HydrophobicContact CD-CE2 4.18Å; K397-Y414 HydrophobicContact CG-CD1 3.83Å; K397-Y414 HydrophobicContact CG-CD2 4.42Å; K397-Y414 HydrophobicContact CG-CE1 3.82Å; K397-Y414 HydrophobicContact CG-CE2 4.44Å; K397-Y414 HydrophobicContact CG-CG 4.13Å
398	D	93.7	Very high	95.9	Very high	40 Å²	40	54.3 Å²	54.3	21%	0.214	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-45.5	175.7	62.2	-50.2	0	0	0	111.6	S310 N351 T396 I401 C402	S310-D398 WeakPolarHBondContact CB-OD2 3.48Å; S310-D398 PolarHBondContact OG-OD2 2.83Å; N351-D398 PolarHBondContact ND2-OD2 3.43Å; T396-D398 VanDerWaalsContact C-N 3.3Å; T396-D398 VanDerWaalsContact CB-OD1 3.24Å; T396-D398 WeakPolarHBondContact CB-OD1 3.2Å; T396-D398 PolarHBondContact O-N 2.89Å; T396-D398 PolarHBondContact OG1-OD1 3.4Å; D398-I401 WeakPolarHBondContact O-CB 3.37Å; D398-I401 PolarHBondContact O-N 2.87Å; D398-C402 PolarHBondContact O-N 2.68Å; D398-C402 PolarHBondContact O-SG 2.75Å
399	L	95.6	Very high	95.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-39.7	178.5	-57.2	-174.3	0	0	0	111.8	V141 L313 I353 V390 M395 T396 I401 C402 I403	V141-L399 HydrophobicContact CG1-CD2 4.44Å; V141-L399 HydrophobicContact CG2-CD2 4.44Å; L313-L399 HydrophobicContact CD1-CD2 3.56Å; L313-L399 HydrophobicContact CD2-CD1 4.4Å; L313-L399 HydrophobicContact CD2-CD2 4.49Å; L313-L399 HydrophobicContact CG-CD2 3.91Å; I353-L399 HydrophobicContact CD1-CD1 4.39Å; V390-L399 HydrophobicContact CG1-CD1 3.93Å; V390-L399 HydrophobicContact CG2-CD1 3.82Å; M395-L399 HydrophobicContact CB-CB 3.97Å; M395-L399 HydrophobicContact CB-CD1 4.13Å; M395-L399 HydrophobicContact CG-CB 4.06Å; M395-L399 HydrophobicContact SD-CB 3.82Å; T396-L399 PolarHBondContact O-N 2.92Å; T396-L399 VanDerWaalsContact O-N 3.14Å; L399-I401 PolarHBondContact O-N 3.3Å; L399-C402 VanDerWaalsContact O-CB 3.28Å; L399-C402 WeakPolarHBondContact O-CB 3.37Å; L399-C402 PolarHBondContact O-N 3.12Å; L399-I403 PolarHBondContact O-N 3.11Å
400	A	96.2	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-32.6	174.2	0	0	0	0	0	112.1	M395 T396 K397 I403 H404 V409 H413	M395-A400 HydrophobicContact CG-CB 4.25Å; M395-A400 HydrophobicContact SD-CB 4.39Å; T396-A400 PolarHBondContact O-N 3.29Å; K397-A400 PolarHBondContact O-N 3.13Å; A400-I403 PolarHBondContact O-N 3.43Å; A400-H404 WeakPolarHBondContact O-CB 3.17Å; A400-H404 PolarHBondContact O-CD2 3.45Å; A400-H404 VanDerWaalsContact O-CD2 3.29Å; A400-H404 PolarHBondContact O-N 3.24Å; A400-V409 HydrophobicContact CB-CG2 3.83Å; A400-H413 HydrophobicContact CB-CB 4.21Å; A400-H413 WeakPolarHBondContact CB-O 3.45Å
401	I	94.7	Very high	95.5	Very high	51 Å²	51	63.5 Å²	63.5	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-37.1	172.9	-74.6	164.7	0	0	0	111.2	K397 D398 L399 I403 G405 N406 V409	K397-I401 HydrophobicContact CG-CD1 4.05Å; K397-I401 HydrophobicContact CG-CG1 4.47Å; K397-I401 WeakPolarHBondContact O-CB 3.24Å; K397-I401 WeakPolarHBondContact O-CD1 3.49Å; K397-I401 WeakPolarHBondContact O-CG1 3.37Å; K397-I401 PolarHBondContact O-N 3.32Å; D398-I401 WeakPolarHBondContact O-CB 3.37Å; D398-I401 PolarHBondContact O-N 2.87Å; L399-I401 PolarHBondContact O-N 3.3Å; I401-I403 PolarHBondContact O-N 2.94Å; I401-G405 WeakPolarHBondContact O-CA 3.46Å; I401-G405 PolarHBondContact O-N 3.37Å; I401-N406 HydrophobicContact CG2-CB 4.16Å; I401-V409 HydrophobicContact CD1-CG1 4.43Å; I401-V409 HydrophobicContact CG1-CB 4.01Å; I401-V409 HydrophobicContact CG1-CG1 3.76Å; I401-V409 HydrophobicContact CG1-CG2 4.14Å
402	C	93	Very high	95.4	Very high	38 Å²	38	66 Å²	66	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-35.8	174.8	-55.8	0	0	0	0	112	V141 G309 D398 L399	V141-C402 HydrophobicContact CG1-CB 4.17Å; G309-C402 PolarHBondContact O-SG 2.76Å; D398-C402 PolarHBondContact O-N 2.68Å; D398-C402 PolarHBondContact O-SG 2.75Å; L399-C402 VanDerWaalsContact O-CB 3.28Å; L399-C402 WeakPolarHBondContact O-CB 3.37Å; L399-C402 PolarHBondContact O-N 3.12Å
403	I	94.4	Very high	95.4	Very high	61 Å²	61	64.9 Å²	64.9	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-82.4	-49.6	-177.7	-61.5	175.6	0	0	0	112	P142 M395 L399 A400 I401	P142-I403 HydrophobicContact CG-CG1 4.25Å; M395-I403 HydrophobicContact CE-CD1 3.54Å; M395-I403 HydrophobicContact SD-CD1 3.43Å; M395-I403 WeakPolarHBondContact SD-CD1 3.17Å; M395-I403 HydrophobicContact SD-CG1 4.49Å; L399-I403 PolarHBondContact O-N 3.11Å; A400-I403 PolarHBondContact O-N 3.43Å; I401-I403 PolarHBondContact O-N 2.94Å
404	H	94.9	Very high	95.4	Very high	70 Å²	70	65.3 Å²	65.3	32%	0.324	33%	0.328	S	S	.	.	H	α-helix	trans	-98.9	-13.6	-169.9	-60.1	-69.7	0	0	0	113.3	A400 N408 H413	A400-H404 WeakPolarHBondContact O-CB 3.17Å; A400-H404 PolarHBondContact O-CD2 3.45Å; A400-H404 VanDerWaalsContact O-CD2 3.29Å; A400-H404 PolarHBondContact O-N 3.24Å; H404-N408 VanDerWaalsContact O-CB 3.29Å; H404-N408 WeakPolarHBondContact O-CB 3.42Å; H404-N408 PolarHBondContact O-ND2 2.97Å; H404-H413 AromaticContact CD2-CG 3.73Å; H404-H413 AromaticContact CD2-ND1 3.54Å; H404-H413 AromaticContact CG-ND1 3.61Å; H404-H413 AromaticContact NE2-CG 3.76Å; H404-H413 AromaticContact NE2-ND1 3.9Å
405	G	93.4	Very high	95.4	Very high	30 Å²	30	62.7 Å²	62.7	31%	0.309	32%	0.319	S	S	.	.			trans	76.4	151.9	-169.5	0	0	0	0	0	112.4	I401 K407 N408 V409	I401-G405 WeakPolarHBondContact O-CA 3.46Å; I401-G405 PolarHBondContact O-N 3.37Å; G405-K407 PolarHBondContact O-N 2.77Å; G405-N408 PolarHBondContact O-N 3.02Å; G405-V409 PolarHBondContact O-N 3.15Å; G405-V409 VanDerWaalsContact O-N 3.08Å
406	N	92.4	Very high	95.4	Very high	123 Å²	123	64.2 Å²	64.2	66%	0.658	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	-174.2	-171.7	49.1	0	0	0	114.1	I401	I401-N406 HydrophobicContact CG2-CB 4.16Å
407	K	94.2	Very high	95.4	Very high	199 Å²	199	64.2 Å²	64.2	87%	0.865	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-24	179.6	-66.4	-176.2	179.4	179.6	0	114	G405	G405-K407 PolarHBondContact O-N 2.77Å
408	N	96.3	Very high	95.4	Very high	107 Å²	107	63.4 Å²	63.4	57%	0.572	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-1.5	-175.5	-42.9	-54.8	0	0	0	113.1	H404 G405 K410 H413	H404-N408 VanDerWaalsContact O-CB 3.29Å; H404-N408 WeakPolarHBondContact O-CB 3.42Å; H404-N408 PolarHBondContact O-ND2 2.97Å; G405-N408 PolarHBondContact O-N 3.02Å; N408-K410 PolarHBondContact O-N 3.37Å; N408-H413 PolarHBondContact O-CE1 3.31Å; N408-H413 VanDerWaalsContact O-CE1 3.3Å; N408-H413 PolarHBondContact O-ND1 3.41Å
409	V	95.9	Very high	95.6	Very high	23 Å²	23	65.4 Å²	65.4	14%	0.139	34%	0.338	C	S	.	.			trans	-65.3	130.3	172.3	72.6	0	0	0	0	109.6	K397 A400 I401 G405 H413 Y414	K397-V409 HydrophobicContact CG-CG2 4.49Å; A400-V409 HydrophobicContact CB-CG2 3.83Å; I401-V409 HydrophobicContact CD1-CG1 4.43Å; I401-V409 HydrophobicContact CG1-CB 4.01Å; I401-V409 HydrophobicContact CG1-CG1 3.76Å; I401-V409 HydrophobicContact CG1-CG2 4.14Å; G405-V409 PolarHBondContact O-N 3.15Å; G405-V409 VanDerWaalsContact O-N 3.08Å; V409-H413 HydrophobicContact CG2-CB 4.45Å; V409-Y414 HydrophobicContact CG2-CD1 3.86Å; V409-Y414 HydrophobicContact CG2-CE1 4.22Å
410	K	96.1	Very high	95.8	Very high	110 Å²	110	65.4 Å²	65.4	48%	0.478	34%	0.338	S	S	.	.			trans	-126.4	160.3	179.7	-58.1	178	-177.1	175.9	0	110	N408 E412 H413 Y414	N408-K410 PolarHBondContact O-N 3.37Å; K410-E412 HydrophobicContact CB-CG 4.22Å; K410-E412 WeakPolarHBondContact CB-OE2 3.35Å; K410-E412 WeakPolarHBondContact CD-OE1 3.45Å; K410-E412 IonicContact NZ-OE1 2.79Å; K410-E412 PolarHBondContact O-N 3.15Å; K410-E412 VanDerWaalsContact O-N 3.16Å; K410-H413 PolarHBondContact N-ND1 2.75Å; K410-H413 WeakPolarHBondContact O-CB 3.26Å; K410-H413 PolarHBondContact O-N 2.83Å; K410-Y414 VanDerWaalsContact O-CD1 3.23Å; K410-Y414 WeakPolarHBondContact O-CD1 3.33Å; K410-Y414 VanDerWaalsContact O-CE1 3.31Å; K410-Y414 WeakPolarHBondContact O-CE1 3.28Å
411	P	94.3	Very high	95.8	Very high	93 Å²	93	65.4 Å²	65.4	60%	0.604	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32	179.7	-27.8	37	0	0	0	114.4	H413	P411-H413 PolarHBondContact O-N 3.1Å
412	E	96	Very high	96	Very high	134 Å²	134	66.2 Å²	66.2	63%	0.626	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-70.8	-14.7	176.8	62.6	-93.7	-147.2	0	0	114.5	K410	K410-E412 HydrophobicContact CB-CG 4.22Å; K410-E412 WeakPolarHBondContact CB-OE2 3.35Å; K410-E412 WeakPolarHBondContact CD-OE1 3.45Å; K410-E412 IonicContact NZ-OE1 2.79Å; K410-E412 PolarHBondContact O-N 3.15Å; K410-E412 VanDerWaalsContact O-N 3.16Å
413	H	97	Very high	96.2	Very high	50 Å²	50	64.9 Å²	64.9	23%	0.231	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-88	-9.2	-179.3	-57.6	162	0	0	0	113.2	A400 H404 N408 V409 K410 P411	A400-H413 HydrophobicContact CB-CB 4.21Å; A400-H413 WeakPolarHBondContact CB-O 3.45Å; H404-H413 AromaticContact CD2-CG 3.73Å; H404-H413 AromaticContact CD2-ND1 3.54Å; H404-H413 AromaticContact CG-ND1 3.61Å; H404-H413 AromaticContact NE2-CG 3.76Å; H404-H413 AromaticContact NE2-ND1 3.9Å; N408-H413 PolarHBondContact O-CE1 3.31Å; N408-H413 VanDerWaalsContact O-CE1 3.3Å; N408-H413 PolarHBondContact O-ND1 3.41Å; V409-H413 HydrophobicContact CG2-CB 4.45Å; K410-H413 PolarHBondContact N-ND1 2.75Å; K410-H413 WeakPolarHBondContact O-CB 3.26Å; K410-H413 PolarHBondContact O-N 2.83Å; P411-H413 PolarHBondContact O-N 3.1Å
414	Y	97.7	Very high	96.4	Very high	53 Å²	53	62 Å²	62	21%	0.208	32%	0.319	C	S	.	.			trans	-143.8	159	-176.3	65.4	-97	0	0	0	112.7	M395 K397 V409 K410	M395-Y414 CarbonylContact O-C 3.57Å; M395-Y414 VanDerWaalsContact O-CA 3.26Å; M395-Y414 WeakPolarHBondContact O-CA 3.19Å; M395-Y414 WeakPolarHBondContact O-CB 3.33Å; K397-Y414 HydrophobicContact CB-CD1 3.99Å; K397-Y414 HydrophobicContact CB-CD2 3.84Å; K397-Y414 HydrophobicContact CB-CE1 4.29Å; K397-Y414 HydrophobicContact CB-CE2 4.18Å; K397-Y414 HydrophobicContact CB-CG 3.75Å; K397-Y414 HydrophobicContact CD-CD1 4.32Å; K397-Y414 HydrophobicContact CD-CE1 3.8Å; K397-Y414 HydrophobicContact CD-CE2 4.18Å; K397-Y414 HydrophobicContact CG-CD1 3.83Å; K397-Y414 HydrophobicContact CG-CD2 4.42Å; K397-Y414 HydrophobicContact CG-CE1 3.82Å; K397-Y414 HydrophobicContact CG-CE2 4.44Å; K397-Y414 HydrophobicContact CG-CG 4.13Å; V409-Y414 HydrophobicContact CG2-CD1 3.86Å; V409-Y414 HydrophobicContact CG2-CE1 4.22Å; K410-Y414 VanDerWaalsContact O-CD1 3.23Å; K410-Y414 WeakPolarHBondContact O-CD1 3.33Å; K410-Y414 VanDerWaalsContact O-CE1 3.31Å; K410-Y414 WeakPolarHBondContact O-CE1 3.28Å
415	L	98.2	Very high	96.5	Very high	48 Å²	48	59.3 Å²	59.3	25%	0.251	31%	0.307	S	S	.	.			trans	-99.4	153.5	175	-65	-177.2	0	0	0	111	S349 K394 M395 D419 F420 A423	S349-L415 WeakPolarHBondContact CB-O 3.33Å; S349-L415 PolarHBondContact OG-O 3.43Å; K394-L415 HydrophobicContact CB-CD1 3.8Å; K394-L415 HydrophobicContact CD-CD1 4.42Å; K394-L415 HydrophobicContact CG-CD1 4.22Å; M395-L415 PolarHBondContact O-N 3Å; L415-D419 HydrophobicContact CB-CB 4.14Å; L415-D419 HydrophobicContact CD2-CB 4.32Å; L415-F420 HydrophobicContact CB-CB 3.97Å; L415-F420 HydrophobicContact CD1-CB 4.38Å; L415-F420 HydrophobicContact CD1-CD2 4.29Å; L415-A423 HydrophobicContact CD1-CB 4.2Å
416	T	97.7	Very high	96.7	Very high	40 Å²	40	61.7 Å²	61.7	25%	0.245	31%	0.313	C	S	.	.			trans	-65.6	163	164.6	74.2	0	0	0	0	109.8	P347 T348 M418 D419 F420	P347-T416 HydrophobicContact CB-CG2 4.01Å; T348-T416 CarbonylContact O-C 3.5Å; T348-T416 WeakPolarHBondContact O-CA 3.14Å; T348-T416 WeakPolarHBondContact O-CB 3.01Å; T416-M418 PolarHBondContact O-N 3.44Å; T416-D419 WeakPolarHBondContact CB-OD2 3.38Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.46Å; T416-D419 PolarHBondContact O-N 2.86Å; T416-D419 PolarHBondContact OG1-N 3.19Å; T416-D419 PolarHBondContact OG1-OD2 2.89Å; T416-F420 VanDerWaalsContact O-CB 3.32Å; T416-F420 WeakPolarHBondContact O-CB 3.42Å; T416-F420 PolarHBondContact O-N 3.39Å
417	T	96.7	Very high	97	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-52.6	-42.7	178	-48.5	0	0	0	0	111.5	M42 I46 T348 T350 L421	M42-T417 HydrophobicContact CE-CG2 4.36Å; I46-T417 HydrophobicContact CD1-CG2 3.76Å; I46-T417 HydrophobicContact CG1-CG2 3.7Å; T348-T417 PolarHBondContact O-N 3.21Å; T348-T417 PolarHBondContact O-OG1 3.28Å; T348-T417 PolarHBondContact OG1-OG1 3.21Å; T350-T417 PolarHBondContact N-OG1 2.83Å; T350-T417 WeakPolarHBondContact O-CG2 3.49Å; T417-L421 HydrophobicContact CG2-CD1 4.43Å; T417-L421 WeakPolarHBondContact O-CG 3.39Å; T417-L421 PolarHBondContact O-N 2.97Å; T417-L421 VanDerWaalsContact O-N 3.1Å
418	M	95.7	Very high	97.1	Very high	61 Å²	61	48.1 Å²	48.1	30%	0.3	25%	0.249	S	C	.	.	H	α-helix	trans	-75.1	-44.9	-176.3	-61.8	-58.2	169.8	0	0	111.6	I45 K49 T416 F420 L421 D422	I45-M418 HydrophobicContact CG2-CE 3.91Å; K49-M418 HydrophobicContact CD-SD 4.29Å; K49-M418 HydrophobicContact CG-SD 3.95Å; T416-M418 PolarHBondContact O-N 3.44Å; M418-F420 PolarHBondContact O-N 3.04Å; M418-L421 PolarHBondContact O-N 3.18Å; M418-L421 HydrophobicContact SD-CD1 4.31Å; M418-D422 PolarHBondContact O-N 2.79Å
419	D	97.7	Very high	96.9	Very high	82 Å²	82	47.5 Å²	47.5	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-35.3	176.7	-56.8	-38.3	0	0	0	111.6	L415 T416 D422 A423	L415-D419 HydrophobicContact CB-CB 4.14Å; L415-D419 HydrophobicContact CD2-CB 4.32Å; T416-D419 WeakPolarHBondContact CB-OD2 3.38Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.46Å; T416-D419 PolarHBondContact O-N 2.86Å; T416-D419 PolarHBondContact OG1-N 3.19Å; T416-D419 PolarHBondContact OG1-OD2 2.89Å; D419-D422 PolarHBondContact O-N 2.95Å; D419-A423 WeakPolarHBondContact O-CB 3.35Å; D419-A423 PolarHBondContact O-N 3.3Å
420	F	98.3	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-41.4	176	-175.9	-115.8	0	0	0	112.2	P352 I353 T389 V390 K394 T396 L415 T416 M418 D422 A423 I424	P352-F420 VanDerWaalsContact CD-CD1 3.47Å; P352-F420 HydrophobicContact CG-CD1 3.61Å; P352-F420 HydrophobicContact CG-CE1 3.83Å; I353-F420 HydrophobicContact CD1-CE1 4.15Å; I353-F420 HydrophobicContact CD1-CZ 4Å; I353-F420 HydrophobicContact CG1-CE1 3.96Å; I353-F420 HydrophobicContact CG1-CZ 4.23Å; T389-F420 HydrophobicContact CG2-CD2 4.1Å; T389-F420 HydrophobicContact CG2-CE2 3.64Å; V390-F420 HydrophobicContact CG2-CE2 4.18Å; V390-F420 HydrophobicContact CG2-CZ 3.83Å; K394-F420 VanDerWaalsContact O-CE2 3.24Å; K394-F420 WeakPolarHBondContact O-CE2 3.41Å; T396-F420 HydrophobicContact CG2-CB 4.05Å; T396-F420 HydrophobicContact CG2-CD1 3.61Å; T396-F420 HydrophobicContact CG2-CE1 4.19Å; T396-F420 HydrophobicContact CG2-CG 3.83Å; L415-F420 HydrophobicContact CB-CB 3.97Å; L415-F420 HydrophobicContact CD1-CB 4.38Å; L415-F420 HydrophobicContact CD1-CD2 4.29Å; T416-F420 VanDerWaalsContact O-CB 3.32Å; T416-F420 WeakPolarHBondContact O-CB 3.42Å; T416-F420 PolarHBondContact O-N 3.39Å; M418-F420 PolarHBondContact O-N 3.04Å; F420-D422 VanDerWaalsContact C-N 3.33Å; F420-D422 PolarHBondContact O-N 2.76Å; F420-A423 WeakPolarHBondContact O-CB 3.41Å; F420-A423 PolarHBondContact O-N 3.31Å; F420-I424 HydrophobicContact CD1-CD1 3.99Å; F420-I424 HydrophobicContact CE1-CD1 3.57Å; F420-I424 HydrophobicContact CE1-CG1 4.43Å; F420-I424 HydrophobicContact CE2-CD1 4.46Å; F420-I424 HydrophobicContact CZ-CD1 3.83Å; F420-I424 HydrophobicContact CZ-CG1 4.3Å; F420-I424 WeakPolarHBondContact O-CG1 3.2Å; F420-I424 PolarHBondContact O-N 2.91Å
421	L	97.9	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-42.9	172.9	-77.2	168.9	0	0	0	111.6	K49 I50 L54 P352 I356 T417 M418 A423 I424 V425	K49-L421 HydrophobicContact CB-CD1 4.08Å; K49-L421 HydrophobicContact CG-CD1 3.57Å; I50-L421 HydrophobicContact CG1-CD2 3.91Å; L54-L421 HydrophobicContact CD1-CD2 3.9Å; P352-L421 HydrophobicContact CB-CD2 3.78Å; P352-L421 HydrophobicContact CB-CG 4.27Å; P352-L421 HydrophobicContact CG-CD2 3.73Å; P352-L421 HydrophobicContact CG-CG 4.04Å; I356-L421 HydrophobicContact CD1-CD2 4.03Å; T417-L421 HydrophobicContact CG2-CD1 4.43Å; T417-L421 WeakPolarHBondContact O-CG 3.39Å; T417-L421 PolarHBondContact O-N 2.97Å; T417-L421 VanDerWaalsContact O-N 3.1Å; M418-L421 PolarHBondContact O-N 3.18Å; M418-L421 HydrophobicContact SD-CD1 4.31Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-I424 PolarHBondContact O-N 3.23Å; L421-V425 WeakPolarHBondContact O-CG2 3.11Å; L421-V425 PolarHBondContact O-N 2.98Å
422	D	97.7	Very high	96.2	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-65.2	-38.7	177.2	-69.4	-20.5	0	0	0	111.4	M418 D419 F420 I424 V425 D426	M418-D422 PolarHBondContact O-N 2.79Å; D419-D422 PolarHBondContact O-N 2.95Å; F420-D422 VanDerWaalsContact C-N 3.33Å; F420-D422 PolarHBondContact O-N 2.76Å; D422-I424 VanDerWaalsContact C-N 3.33Å; D422-I424 PolarHBondContact O-N 3.25Å; D422-V425 WeakPolarHBondContact O-CB 3.45Å; D422-V425 PolarHBondContact O-N 3.45Å; D422-D426 PolarHBondContact O-N 3.32Å
423	A	98.3	Very high	95.3	Very high	9 Å²	9	45 Å²	45	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-39.2	172.8	0	0	0	0	0	112.8	T389 K394 L415 D419 F420 L421 D426 Q427	T389-A423 HydrophobicContact CG2-CB 3.85Å; K394-A423 HydrophobicContact CD-CB 3.9Å; L415-A423 HydrophobicContact CD1-CB 4.2Å; D419-A423 WeakPolarHBondContact O-CB 3.35Å; D419-A423 PolarHBondContact O-N 3.3Å; F420-A423 WeakPolarHBondContact O-CB 3.41Å; F420-A423 PolarHBondContact O-N 3.31Å; L421-A423 VanDerWaalsContact C-N 3.34Å; A423-D426 PolarHBondContact O-N 2.96Å; A423-Q427 PolarHBondContact O-N 3.5Å
424	I	98.5	Very high	94	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-41.6	174.4	-66.2	168.7	0	0	0	110.9	L54 I356 L382 A385 T389 F420 L421 D422 D426 Q427 L428	L54-I424 HydrophobicContact CD1-CG2 4.24Å; L54-I424 HydrophobicContact CD2-CG2 3.88Å; I356-I424 HydrophobicContact CD1-CD1 3.7Å; L382-I424 HydrophobicContact CD1-CG2 4.06Å; A385-I424 HydrophobicContact CB-CG2 4.21Å; T389-I424 HydrophobicContact CG2-CG1 4.13Å; F420-I424 HydrophobicContact CD1-CD1 3.99Å; F420-I424 HydrophobicContact CE1-CD1 3.57Å; F420-I424 HydrophobicContact CE1-CG1 4.43Å; F420-I424 HydrophobicContact CE2-CD1 4.46Å; F420-I424 HydrophobicContact CZ-CD1 3.83Å; F420-I424 HydrophobicContact CZ-CG1 4.3Å; F420-I424 WeakPolarHBondContact O-CG1 3.2Å; F420-I424 PolarHBondContact O-N 2.91Å; L421-I424 PolarHBondContact O-N 3.23Å; D422-I424 VanDerWaalsContact C-N 3.33Å; D422-I424 PolarHBondContact O-N 3.25Å; I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 PolarHBondContact O-N 2.75Å; I424-Q427 PolarHBondContact O-N 3.14Å; I424-L428 WeakPolarHBondContact O-CB 3.47Å; I424-L428 PolarHBondContact O-N 2.88Å
425	V	97.2	Very high	93.8	Very high	14 Å²	14	52.6 Å²	52.6	9%	0.085	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-45.4	176	170.3	0	0	0	0	110.5	L54 L421 D422 L428 K429	L54-V425 HydrophobicContact CD2-CB 4.27Å; L54-V425 HydrophobicContact CD2-CG2 3.44Å; L54-V425 VanDerWaalsContact CD2-CG2 3.44Å; L54-V425 HydrophobicContact CG-CG2 4Å; L421-V425 WeakPolarHBondContact O-CG2 3.11Å; L421-V425 PolarHBondContact O-N 2.98Å; D422-V425 WeakPolarHBondContact O-CB 3.45Å; D422-V425 PolarHBondContact O-N 3.45Å; V425-L428 PolarHBondContact O-N 2.75Å; V425-K429 HydrophobicContact CG1-CD 4.3Å; V425-K429 WeakPolarHBondContact O-CG 3.36Å; V425-K429 PolarHBondContact O-N 2.96Å
426	D	97.2	Very high	93.5	Very high	81 Å²	81	52.8 Å²	52.8	43%	0.433	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-42.7	178.4	-73.6	-17.3	0	0	0	111.8	D422 A423 I424 L428 K429 Q430	D422-D426 PolarHBondContact O-N 3.32Å; A423-D426 PolarHBondContact O-N 2.96Å; I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 PolarHBondContact O-N 2.75Å; D426-L428 PolarHBondContact O-N 2.96Å; D426-K429 PolarHBondContact O-N 3.11Å; D426-K429 IonicContact OD1-NZ 2.7Å; D426-Q430 WeakPolarHBondContact O-CG 3.34Å; D426-Q430 PolarHBondContact O-N 2.92Å
427	Q	97.5	Very high	93.3	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-42.1	175.8	-170.6	64.4	21.5	0	0	111.9	A385 D388 T389 A423 I424 K429 Q430 I431	A385-Q427 HydrophobicContact CB-CB 4.18Å; A385-Q427 HydrophobicContact CB-CG 4.07Å; D388-Q427 HydrophobicContact CB-CG 3.84Å; D388-Q427 PolarHBondContact OD2-NE2 2.59Å; T389-Q427 WeakPolarHBondContact OG1-CB 3.34Å; A423-Q427 PolarHBondContact O-N 3.5Å; I424-Q427 PolarHBondContact O-N 3.14Å; Q427-K429 PolarHBondContact O-N 3.49Å; Q427-Q430 WeakPolarHBondContact O-CB 3.4Å; Q427-Q430 PolarHBondContact O-N 3.33Å; Q427-I431 HydrophobicContact CG-CD1 4.25Å; Q427-I431 WeakPolarHBondContact O-CG1 3.37Å; Q427-I431 PolarHBondContact O-N 3.43Å
428	L	96.8	Very high	93.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.8	176.5	61.8	0	0	0	111.6	L54 F58 F378 N381 L382 A385 I424 V425 D426 Q430 I431 N432	L54-L428 HydrophobicContact CD2-CD2 4.35Å; F58-L428 HydrophobicContact CD2-CD2 4.06Å; F58-L428 HydrophobicContact CE1-CD2 4.4Å; F58-L428 HydrophobicContact CE2-CD2 3.74Å; F58-L428 HydrophobicContact CZ-CD2 3.93Å; F58-L428 HydrophobicContact CZ-CG 4.48Å; F378-L428 HydrophobicContact CE2-CD2 4.22Å; N381-L428 HydrophobicContact CB-CD1 4.05Å; L382-L428 HydrophobicContact CB-CD1 4.3Å; L382-L428 HydrophobicContact CD1-CD2 4.18Å; A385-L428 HydrophobicContact CB-CB 3.92Å; I424-L428 WeakPolarHBondContact O-CB 3.47Å; I424-L428 PolarHBondContact O-N 2.88Å; V425-L428 PolarHBondContact O-N 2.75Å; D426-L428 PolarHBondContact O-N 2.96Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-Q430 PolarHBondContact O-N 3.49Å; L428-I431 PolarHBondContact O-N 2.61Å; L428-N432 WeakPolarHBondContact O-CB 3.46Å; L428-N432 PolarHBondContact O-N 3.45Å; L428-N432 PolarHBondContact O-ND2 3.38Å
429	K	93.4	Very high	93	Very high	94 Å²	94	56.3 Å²	56.3	41%	0.409	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-42.7	175.4	-72.7	170.1	-175.4	165.2	0	111.2	F58 V425 D426 Q427 N432 M433	F58-K429 HydrophobicContact CZ-CG 4.47Å; V425-K429 HydrophobicContact CG1-CD 4.3Å; V425-K429 WeakPolarHBondContact O-CG 3.36Å; V425-K429 PolarHBondContact O-N 2.96Å; D426-K429 PolarHBondContact O-N 3.11Å; D426-K429 IonicContact OD1-NZ 2.7Å; Q427-K429 PolarHBondContact O-N 3.49Å; K429-N432 PolarHBondContact O-N 3.42Å; K429-M433 HydrophobicContact CB-CE 4.04Å; K429-M433 WeakPolarHBondContact O-CG 3.42Å; K429-M433 PolarHBondContact O-N 3.22Å; K429-M433 VanDerWaalsContact O-N 3.1Å
430	Q	93.2	Very high	92.6	Very high	105 Å²	105	54.6 Å²	54.6	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-40	176.8	-69.7	179.2	17.5	0	0	112.7	D426 Q427 L428 M433	D426-Q430 WeakPolarHBondContact O-CG 3.34Å; D426-Q430 PolarHBondContact O-N 2.92Å; Q427-Q430 WeakPolarHBondContact O-CB 3.4Å; Q427-Q430 PolarHBondContact O-N 3.33Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-Q430 PolarHBondContact O-N 3.49Å; Q430-M433 PolarHBondContact O-N 3.17Å
431	I	92.1	Very high	92.2	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-41.8	176.1	-69.4	167.2	0	0	0	110.7	N381 K384 A385 Q427 L428 M433 K434	N381-I431 HydrophobicContact CB-CG2 3.85Å; K384-I431 HydrophobicContact CB-CD1 4.22Å; K384-I431 HydrophobicContact CD-CD1 4.15Å; K384-I431 HydrophobicContact CG-CD1 4.17Å; A385-I431 HydrophobicContact CB-CD1 3.87Å; Q427-I431 HydrophobicContact CG-CD1 4.25Å; Q427-I431 WeakPolarHBondContact O-CG1 3.37Å; Q427-I431 PolarHBondContact O-N 3.43Å; L428-I431 PolarHBondContact O-N 2.61Å; I431-M433 VanDerWaalsContact C-N 3.32Å; I431-M433 PolarHBondContact O-N 3.38Å; I431-K434 PolarHBondContact O-N 3.31Å
432	N	85.7	Confident	91.8	Very high	43 Å²	43	63 Å²	63	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-74.2	-18.4	-178.6	-70.9	-20.3	0	0	0	114.1	N381 L428 K429 K434	N381-N432 PolarHBondContact ND2-OD1 2.88Å; L428-N432 WeakPolarHBondContact O-CB 3.46Å; L428-N432 PolarHBondContact O-N 3.45Å; L428-N432 PolarHBondContact O-ND2 3.38Å; K429-N432 PolarHBondContact O-N 3.42Å; N432-K434 VanDerWaalsContact C-N 3.33Å
433	M	76.5	Confident	91.3	Very high	141 Å²	141	62.6 Å²	62.6	70%	0.695	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.8	172.7	-72.6	-177.7	-136.6	0	0	113.4	K429 Q430 I431	K429-M433 HydrophobicContact CB-CE 4.04Å; K429-M433 WeakPolarHBondContact O-CG 3.42Å; K429-M433 PolarHBondContact O-N 3.22Å; K429-M433 VanDerWaalsContact O-N 3.1Å; Q430-M433 PolarHBondContact O-N 3.17Å; I431-M433 VanDerWaalsContact C-N 3.32Å; I431-M433 PolarHBondContact O-N 3.38Å
434	K	69.2	Low	90.7	Very high	209 Å²	209	67.5 Å²	67.5	91%	0.909	32%	0.32	S	S	*	.			trans	-91.2	0	175.6	-66.2	177.4	-178.3	176.6	0	110.4	I431 N432	I431-K434 PolarHBondContact O-N 3.31Å; N432-K434 VanDerWaalsContact C-N 3.33Å

Retrieved 434 of 434 residues in 978.6 ms (Link to these results)

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