A0A096NBN9_PAPAN Loading...

Ribosomal protein S6 kinase

AlphaFold DB (A0A096MRI2), UniProt , Accession A0A096NBN9, Species PAPAN (Papio anubis, Olive baboon), Gene RPS6KA4, Length 772 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	31.4	Very low	248 Å²	248	151.3 Å²	151.3	100%	1.222	85%	0.846	S	S	*	*				0	116	0	-179.1	172.2	-176.5	0	0	104
2	G	32.1	Very low	31	Very low	53 Å²	53	148.2 Å²	148.2	55%	0.546	83%	0.833	S	S	.	*			trans	66.6	151.7	-148.3	0	0	0	0	0	114.3
3	D	33.9	Very low	30.5	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	82%	0.821	S	S	*	*			cis	-164.2	-177.3	-20.3	-103.3	-35.3	0	0	0	110.1
4	E	33.2	Very low	30.1	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	82%	0.817	S	S	*	*			trans	93.2	150	164.1	-53.1	-174.4	153.7	0	0	118.8
5	D	31.8	Very low	29.6	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	81%	0.811	S	S	*	*			trans	65.6	131.5	174.9	-54.9	-15.6	0	0	0	119.8
6	E	31.8	Very low	29.5	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	81%	0.809	S	S	*	*			cis	-159.1	168	-15.1	-133.9	-178	-179.8	0	0	110
7	D	30.9	Very low	29.3	Very low	162 Å²	162	149.2 Å²	149.2	87%	0.866	81%	0.806	S	S	*	*			trans	-72.2	144.3	-169	-92.2	-50.3	0	0	0	116.8	S9	D7-S9 PolarHBondContact O-N 3.12Å
8	E	32.6	Very low	29.4	Very low	200 Å²	200	150.1 Å²	150.1	94%	0.935	81%	0.805	S	S	*	*			trans	-72.8	117.8	165.2	-76.3	-166	121.5	0	0	111.5
9	S	27.6	Very low	29.3	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	79%	0.792	S	S	*	*			trans	-116.7	133.4	167.2	63.1	0	0	0	0	112.1	D7 A11	D7-S9 PolarHBondContact O-N 3.12Å; S9-A11 PolarHBondContact O-N 2.82Å
10	C	29.9	Very low	29.4	Very low	127 Å²	127	142.1 Å²	142.1	86%	0.858	77%	0.771	S	S	*	*			trans	-75.7	90.3	-170.1	-171.4	0	0	0	0	112.5	V12	C10-V12 PolarHBondContact O-N 3.49Å
11	A	24.1	Very low	29.4	Very low	95 Å²	95	141.8 Å²	141.8	79%	0.785	77%	0.769	S	S	*	*			trans	-81.2	101.5	174.1	0	0	0	0	0	111.8	S9 E13	S9-A11 PolarHBondContact O-N 2.82Å; A11-E13 PolarHBondContact O-N 3Å
12	V	26.1	Very low	29.3	Very low	114 Å²	114	132.1 Å²	132.1	69%	0.691	72%	0.724	S	S	*	*			trans	-67.8	120.5	170	177.3	0	0	0	0	109.6	C10 L14	C10-V12 PolarHBondContact O-N 3.49Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.89Å
13	E	24.4	Very low	29.2	Very low	144 Å²	144	132 Å²	132	67%	0.673	72%	0.722	S	S	*	*			trans	-71.2	77.7	-179.4	-146.6	-165	-139.5	0	0	111.5	A11 R15	A11-E13 PolarHBondContact O-N 3Å; E13-R15 VanDerWaalsContact C-N 3.31Å; E13-R15 PolarHBondContact O-N 2.77Å; E13-R15 IonicContact OE2-CZ 2.75Å; E13-R15 VanDerWaalsContact OE2-CZ 3.26Å; E13-R15 IonicContact OE2-NE 3.16Å; E13-R15 PolarHBondContact OE2-NE 2.72Å; E13-R15 IonicContact OE2-NH2 2.72Å; E13-R15 PolarHBondContact OE2-NH2 2.69Å
14	L	24.8	Very low	29.3	Very low	147 Å²	147	125.6 Å²	125.6	77%	0.77	69%	0.687	S	S	*	*			trans	-68.8	86.4	173.4	-81.5	172.4	0	0	0	110.5	V12 I16	V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-I16 VanDerWaalsContact C-N 3.34Å; L14-I16 PolarHBondContact O-N 2.85Å
15	R	23.2	Very low	29.5	Very low	189 Å²	189	126.3 Å²	126.3	71%	0.713	69%	0.69	S	S	*	*			trans	-67.8	88.1	170.6	-67.6	-174.9	-178.9	-166.8	-2.1	110.5	E13 T17	E13-R15 VanDerWaalsContact C-N 3.31Å; E13-R15 PolarHBondContact O-N 2.77Å; E13-R15 IonicContact OE2-CZ 2.75Å; E13-R15 VanDerWaalsContact OE2-CZ 3.26Å; E13-R15 IonicContact OE2-NE 3.16Å; E13-R15 PolarHBondContact OE2-NE 2.72Å; E13-R15 IonicContact OE2-NH2 2.72Å; E13-R15 PolarHBondContact OE2-NH2 2.69Å; R15-T17 VanDerWaalsContact C-N 3.28Å; R15-T17 HydrophobicContact CB-CG2 4.48Å; R15-T17 PolarHBondContact O-N 2.77Å
16	I	28.3	Very low	29.9	Very low	153 Å²	153	122 Å²	122	79%	0.785	67%	0.665	S	S	*	*			trans	-70	84.5	173.4	-55.4	173.1	0	0	0	109.2	L14	L14-I16 VanDerWaalsContact C-N 3.34Å; L14-I16 PolarHBondContact O-N 2.85Å
17	T	26.4	Very low	30.7	Very low	125 Å²	125	119.4 Å²	119.4	77%	0.767	65%	0.651	S	S	*	*			trans	-90.8	-13.9	177.5	44.1	0	0	0	0	113.6	R15	R15-T17 VanDerWaalsContact C-N 3.28Å; R15-T17 HydrophobicContact CB-CG2 4.48Å; R15-T17 PolarHBondContact O-N 2.77Å
18	E	31.1	Very low	31.8	Very low	166 Å²	166	112.7 Å²	112.7	78%	0.776	62%	0.616	S	S	*	*			trans	-114.9	77	-174.3	-59.7	-153.8	158.7	0	0	113.4	N20	E18-N20 PolarHBondContact O-N 3.26Å
19	A	26.8	Very low	33.3	Very low	67 Å²	67	104.6 Å²	104.6	55%	0.554	58%	0.581	S	S	*	*			trans	-74.8	39.5	175.5	0	0	0	0	0	114	L21	A19-L21 PolarHBondContact O-N 3.15Å; A19-L21 VanDerWaalsContact O-N 3.11Å
20	N	31.1	Very low	35.1	Very low	72 Å²	72	101.2 Å²	101.2	39%	0.385	56%	0.556	S	S	.	*			trans	-86.8	69.1	-177.4	-166.7	57	0	0	0	111.3	E18 T22 G23 K27	E18-N20 PolarHBondContact O-N 3.26Å; N20-T22 PolarHBondContact O-N 3.08Å; N20-G23 PolarHBondContact O-N 3.31Å; N20-G23 VanDerWaalsContact O-N 3.14Å; N20-K27 WeakPolarHBondContact ND2-CE 3.35Å
21	L	30.8	Very low	37	Very low	137 Å²	137	103.4 Å²	103.4	72%	0.717	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	23.7	-173.5	-60.5	-179.2	0	0	0	116.3	A19 Q357	A19-L21 PolarHBondContact O-N 3.15Å; A19-L21 VanDerWaalsContact O-N 3.11Å; L21-Q357 HydrophobicContact CD1-CG 4.37Å; L21-Q357 VanDerWaalsContact CD1-NE2 3.3Å
22	T	34.8	Very low	39.3	Very low	45 Å²	45	100.6 Å²	100.6	28%	0.276	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	0.3	172.3	65.3	0	0	0	0	113.5	N20 H24 Q476	N20-T22 PolarHBondContact O-N 3.08Å; T22-H24 VanDerWaalsContact C-N 3.25Å; T22-H24 PolarHBondContact O-N 3.33Å; T22-Q476 WeakPolarHBondContact O-CB 3.3Å; T22-Q476 PolarHBondContact O-OE1 3.39Å
23	G	30.7	Very low	41.7	Very low	49 Å²	49	95.5 Å²	95.5	51%	0.505	49%	0.494	S	S	.	.			trans	57.3	-26.4	162.4	0	0	0	0	0	121.7	N20	N20-G23 PolarHBondContact O-N 3.31Å; N20-G23 VanDerWaalsContact O-N 3.14Å
24	H	35.1	Very low	44.3	Very low	26 Å²	26	93.3 Å²	93.3	12%	0.12	48%	0.484	C	S	.	.	S	Bend	trans	-101.1	157.9	-175.4	-76.9	-54.1	0	0	0	111.8	T22 M398 Q476	T22-H24 VanDerWaalsContact C-N 3.25Å; T22-H24 PolarHBondContact O-N 3.33Å; H24-M398 HydrophobicContact CB-CE 4.29Å; H24-Q476 VanDerWaalsContact CD2-CD 3.49Å; H24-Q476 PolarHBondContact CD2-OE1 2.91Å; H24-Q476 PolarHBondContact NE2-OE1 3.44Å
25	E	36.7	Very low	46.8	Very low	193 Å²	193	88 Å²	88	90%	0.902	46%	0.456	S	S	*	.	S	Bend	trans	-77.8	-20.4	-170.4	-61.9	-161.4	124.8	0	0	115.3	K27	E25-K27 PolarHBondContact O-N 3.15Å
26	E	40.1	Very low	49.2	Very low	56 Å²	56	80.7 Å²	80.7	26%	0.262	43%	0.431	S	S	.	.			trans	-76.8	64.1	177.4	-150.3	179.8	-114.6	0	0	111.8	V28 M398	E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 2.91Å; E26-M398 HydrophobicContact CB-SD 4.14Å
27	K	48.4	Very low	51.4	Low	131 Å²	131	77.2 Å²	77.2	57%	0.57	41%	0.41	S	S	*	.			trans	-61.1	92.6	165.7	-72.9	174.5	179.8	165	0	108.6	N20 E25 S29 N32	N20-K27 WeakPolarHBondContact ND2-CE 3.35Å; E25-K27 PolarHBondContact O-N 3.15Å; K27-S29 VanDerWaalsContact O-CB 3.3Å; K27-S29 WeakPolarHBondContact O-CB 3.36Å; K27-S29 PolarHBondContact O-N 3.32Å; K27-N32 PolarHBondContact O-OD1 2.85Å
28	V	55.6	Low	53.5	Low	21 Å²	21	71.2 Å²	71.2	13%	0.127	37%	0.373	C	S	.	.			trans	-53.1	111.8	168.1	179.9	0	0	0	0	108.1	E26 F33 Y103 F105 V362	E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 2.91Å; V28-F33 HydrophobicContact CG1-CE2 3.87Å; V28-F33 HydrophobicContact CG1-CZ 4.4Å; V28-Y103 HydrophobicContact CG1-CD1 4.11Å; V28-Y103 HydrophobicContact CG2-CD1 4.48Å; V28-F105 HydrophobicContact CG1-CD1 3.96Å; V28-F105 HydrophobicContact CG1-CE1 4.29Å; V28-F105 WeakPolarHBondContact O-CB 3.32Å; V28-F105 WeakPolarHBondContact O-CG 3.21Å; V28-V362 HydrophobicContact CG2-CG2 4.14Å
29	S	62.5	Low	55.1	Low	30 Å²	30	63.7 Å²	63.7	21%	0.21	34%	0.339	C	S	.	.			trans	-133.7	-175.3	-166.2	73.5	0	0	0	0	110.6	K27 E31 N32 F33 F105	K27-S29 VanDerWaalsContact O-CB 3.3Å; K27-S29 WeakPolarHBondContact O-CB 3.36Å; K27-S29 PolarHBondContact O-N 3.32Å; S29-E31 PolarHBondContact O-N 2.66Å; S29-E31 PolarHBondContact OG-N 2.58Å; S29-N32 PolarHBondContact N-OD1 3.43Å; S29-N32 PolarHBondContact O-N 3.05Å; S29-N32 PolarHBondContact OG-OD1 3.13Å; S29-F33 WeakPolarHBondContact O-CD2 3.49Å; S29-F105 VanDerWaalsContact C-CZ 3.49Å; S29-F105 WeakPolarHBondContact O-CZ 3.17Å
30	V	66.8	Low	56.8	Low	39 Å²	39	61.1 Å²	61.1	24%	0.236	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55.3	-38.2	171.8	164.2	0	0	0	0	111.9	N32 F33 F105 T107 Y342	V30-N32 PolarHBondContact O-N 3.07Å; V30-F33 PolarHBondContact O-N 3.4Å; V30-F33 VanDerWaalsContact O-N 3.14Å; V30-F105 HydrophobicContact CG2-CE2 4.12Å; V30-T107 HydrophobicContact CG2-CG2 4.46Å; V30-Y342 HydrophobicContact CB-CE2 4.46Å; V30-Y342 HydrophobicContact CG1-CD2 4.16Å; V30-Y342 HydrophobicContact CG1-CE2 3.28Å; V30-Y342 WeakPolarHBondContact CG1-OH 3.4Å; V30-Y342 HydrophobicContact CG2-CE1 4.37Å; V30-Y342 HydrophobicContact CG2-CE2 4.44Å
31	E	70.1	Confident	57.8	Low	173 Å²	173	61 Å²	61	81%	0.808	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-71.9	-18.8	-170.8	-65.4	165.8	-149.5	0	0	113	S29 F33	S29-E31 PolarHBondContact O-N 2.66Å; S29-E31 PolarHBondContact OG-N 2.58Å; E31-F33 PolarHBondContact O-N 2.92Å
32	N	72.1	Confident	58.8	Low	35 Å²	35	56.9 Å²	56.9	19%	0.187	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-78.4	1.4	174.5	-53.2	101.7	0	0	0	113.2	K27 S29 V30 A53	K27-N32 PolarHBondContact O-OD1 2.85Å; S29-N32 PolarHBondContact N-OD1 3.43Å; S29-N32 PolarHBondContact O-N 3.05Å; S29-N32 PolarHBondContact OG-OD1 3.13Å; V30-N32 PolarHBondContact O-N 3.07Å; N32-A53 PolarHBondContact O-N 3.39Å
33	F	75.8	Confident	59.3	Low	8 Å²	8	57.6 Å²	57.6	4%	0.035	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.2	-175.5	-66.5	-82.4	0	0	0	111.9	V28 S29 V30 E31 L35 V50 R51 K52 Y62 M64 Y103 F105 I114	V28-F33 HydrophobicContact CG1-CE2 3.87Å; V28-F33 HydrophobicContact CG1-CZ 4.4Å; S29-F33 WeakPolarHBondContact O-CD2 3.49Å; V30-F33 PolarHBondContact O-N 3.4Å; V30-F33 VanDerWaalsContact O-N 3.14Å; E31-F33 PolarHBondContact O-N 2.92Å; F33-L35 WeakPolarHBondContact O-CD1 3.28Å; F33-L35 PolarHBondContact O-N 2.9Å; F33-V50 HydrophobicContact CB-CB 4.08Å; F33-V50 HydrophobicContact CB-CG1 4.47Å; F33-V50 HydrophobicContact CB-CG2 4.22Å; F33-V50 HydrophobicContact CD1-CB 4.27Å; F33-V50 HydrophobicContact CD1-CG2 3.57Å; F33-V50 HydrophobicContact CE1-CG2 4.34Å; F33-V50 HydrophobicContact CG-CG2 4.21Å; F33-R51 CarbonylContact C-O 3.54Å; F33-R51 WeakPolarHBondContact CA-O 3.44Å; F33-K52 HydrophobicContact CD1-CD 4.45Å; F33-K52 HydrophobicContact CE1-CB 4.47Å; F33-K52 HydrophobicContact CE1-CD 3.69Å; F33-K52 HydrophobicContact CZ-CD 3.85Å; F33-Y62 HydrophobicContact CE1-CD2 4.26Å; F33-M64 HydrophobicContact CB-CE 3.48Å; F33-M64 VanDerWaalsContact CB-CE 3.48Å; F33-M64 HydrophobicContact CD1-CE 4.41Å; F33-M64 HydrophobicContact CD2-CE 3.8Å; F33-M64 HydrophobicContact CG-CE 3.64Å; F33-Y103 HydrophobicContact CZ-CD2 4.16Å; F33-Y103 HydrophobicContact CZ-CE2 4.45Å; F33-Y103 HydrophobicContact CZ-CG 4.48Å; F33-F105 HydrophobicContact CD2-CE1 4.02Å; F33-F105 HydrophobicContact CD2-CZ 4.1Å; F33-F105 AromaticContact CE2-CE1 3.61Å; F33-F105 HydrophobicContact CE2-CE1 3.61Å; F33-F105 HydrophobicContact CE2-CZ 4.17Å; F33-I114 HydrophobicContact CD1-CD1 4.35Å; F33-I114 HydrophobicContact CD2-CD1 4.38Å; F33-I114 HydrophobicContact CE1-CD1 4.01Å; F33-I114 HydrophobicContact CE1-CG1 4.12Å; F33-I114 HydrophobicContact CE1-CG2 3.84Å; F33-I114 HydrophobicContact CE2-CD1 4.08Å; F33-I114 HydrophobicContact CE2-CG1 4.11Å; F33-I114 HydrophobicContact CZ-CB 4.45Å; F33-I114 HydrophobicContact CZ-CD1 3.88Å; F33-I114 HydrophobicContact CZ-CG1 3.68Å; F33-I114 HydrophobicContact CZ-CG2 4.08Å
34	E	78.8	Confident	60.2	Low	97 Å²	97	57.1 Å²	57.1	45%	0.453	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.8	168.4	177.2	-167.6	-159.7	0	0	109.2	L36 V50 R51	E34-L36 HydrophobicContact CG-CD2 4.09Å; E34-L36 PolarHBondContact O-N 3.26Å; E34-V50 CarbonylContact O-C 3.58Å; E34-V50 WeakPolarHBondContact O-CA 3.4Å; E34-V50 WeakPolarHBondContact O-CB 3.42Å; E34-R51 HydrophobicContact CB-CB 4.16Å; E34-R51 PolarHBondContact N-O 3.01Å; E34-R51 PolarHBondContact O-N 2.9Å; E34-R51 WeakPolarHBondContact OE2-CB 3.22Å; E34-R51 WeakPolarHBondContact OE2-CD 3.14Å; E34-R51 IonicContact OE2-NE 2.77Å; E34-R51 PolarHBondContact OE2-NE 3.35Å
35	L	77.4	Confident	61.4	Low	35 Å²	35	56.8 Å²	56.8	18%	0.183	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.4	-180	-101.2	69.5	0	0	0	111	F33 F48 V50 M64 P340 Y342	F33-L35 WeakPolarHBondContact O-CD1 3.28Å; F33-L35 PolarHBondContact O-N 2.9Å; L35-F48 HydrophobicContact CD2-CD1 3.65Å; L35-F48 HydrophobicContact CD2-CD2 4.35Å; L35-F48 HydrophobicContact CD2-CE1 3.7Å; L35-F48 HydrophobicContact CD2-CE2 4.4Å; L35-F48 HydrophobicContact CD2-CG 3.97Å; L35-F48 HydrophobicContact CD2-CZ 4.07Å; L35-F48 HydrophobicContact CG-CB 4.36Å; L35-F48 HydrophobicContact CG-CD1 4.18Å; L35-F48 HydrophobicContact CG-CG 4.29Å; L35-V50 HydrophobicContact CD1-CG1 3.62Å; L35-V50 HydrophobicContact CG-CG1 3.92Å; L35-M64 HydrophobicContact CD1-CE 4.29Å; L35-M64 HydrophobicContact CD1-SD 4.46Å; L35-P340 HydrophobicContact CB-CB 4.24Å; L35-P340 VanDerWaalsContact CD2-O 3.26Å; L35-P340 WeakPolarHBondContact CD2-O 3.39Å; L35-P340 WeakPolarHBondContact O-CG 3.46Å; L35-Y342 HydrophobicContact CD1-CE2 3.74Å; L35-Y342 WeakPolarHBondContact CD1-OH 3.49Å; L35-Y342 HydrophobicContact CD2-CD1 4.46Å; L35-Y342 HydrophobicContact CD2-CD2 3.76Å; L35-Y342 HydrophobicContact CD2-CE1 4.14Å; L35-Y342 HydrophobicContact CD2-CE2 3.36Å; L35-Y342 HydrophobicContact CD2-CG 4.29Å; L35-Y342 HydrophobicContact CG-CE2 4.17Å
36	L	73.6	Confident	62.9	Low	36 Å²	36	50.5 Å²	50.5	19%	0.188	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-53	-172.7	-64.2	168.2	0	0	0	112.4	E34 L49 R51 L61 L326	E34-L36 HydrophobicContact CG-CD2 4.09Å; E34-L36 PolarHBondContact O-N 3.26Å; L36-L49 HydrophobicContact CB-CB 4.46Å; L36-L49 HydrophobicContact CB-CD2 4.37Å; L36-L49 HydrophobicContact CB-CG 4.1Å; L36-L49 WeakPolarHBondContact CB-O 3.38Å; L36-L49 HydrophobicContact CD1-CD2 4.27Å; L36-L49 HydrophobicContact CD1-CG 3.91Å; L36-L49 PolarHBondContact N-O 3.39Å; L36-R51 HydrophobicContact CD1-CB 3.89Å; L36-R51 HydrophobicContact CG-CB 4.39Å; L36-L61 HydrophobicContact CD1-CD2 3.44Å; L36-L61 VanDerWaalsContact CD1-CD2 3.44Å; L36-L326 HydrophobicContact CD1-CD2 3.55Å
37	K	74.9	Confident	64.5	Low	80 Å²	80	49.8 Å²	49.8	35%	0.348	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.3	-177.4	-68.3	-168.4	178.1	172.6	0	112	F48 L49 V328	K37-F48 CarbonylContact O-C 3.53Å; K37-F48 VanDerWaalsContact O-CA 3.24Å; K37-F48 WeakPolarHBondContact O-CA 3.43Å; K37-L49 HydrophobicContact CB-CB 4.37Å; K37-L49 PolarHBondContact N-O 3.2Å; K37-L49 PolarHBondContact O-N 2.91Å; K37-V328 HydrophobicContact CD-CB 4.42Å; K37-V328 HydrophobicContact CD-CG1 4.07Å; K37-V328 HydrophobicContact CD-CG2 3.47Å; K37-V328 VanDerWaalsContact CD-CG2 3.47Å
38	V	70.2	Confident	65.9	Low	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125	164.5	-171.6	0	0	0	0	108.5	T41 F48 F335 T336 L338	V38-T41 HydrophobicContact CG1-CG2 4.18Å; V38-F48 HydrophobicContact CG2-CD1 3.97Å; V38-F48 HydrophobicContact CG2-CE1 3.93Å; V38-F335 HydrophobicContact CG1-CB 4.44Å; V38-F335 CarbonylContact O-C 3.57Å; V38-T336 WeakPolarHBondContact O-CA 3.31Å; V38-T336 PolarHBondContact O-N 3.19Å; V38-L338 HydrophobicContact CB-CB 4.27Å; V38-L338 HydrophobicContact CG1-CD1 4.43Å; V38-L338 HydrophobicContact CG2-CB 3.98Å
39	L	65.6	Low	67.1	Low	8 Å²	8	42.7 Å²	42.7	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-31.3	175.1	-65.9	176.7	0	0	0	112	V47 L49 A63 Y117 V328 F331	L39-V47 HydrophobicContact CB-CG1 4.22Å; L39-V47 HydrophobicContact CD1-CG1 4.48Å; L39-V47 PolarHBondContact N-O 3.06Å; L39-L49 HydrophobicContact CD1-CB 3.92Å; L39-L49 HydrophobicContact CD2-CB 4.01Å; L39-L49 HydrophobicContact CG-CB 3.86Å; L39-A63 HydrophobicContact CD1-CB 4.37Å; L39-Y117 HydrophobicContact CD1-CD2 3.85Å; L39-Y117 HydrophobicContact CD1-CE2 3.82Å; L39-Y117 HydrophobicContact CD2-CE2 4.09Å; L39-V328 HydrophobicContact CD2-CB 4.35Å; L39-V328 HydrophobicContact CD2-CG1 3.72Å; L39-F331 HydrophobicContact CB-CD1 4.11Å; L39-F331 HydrophobicContact CB-CE1 4.2Å; L39-F331 HydrophobicContact CD1-CE1 4.19Å; L39-F331 HydrophobicContact CD1-CZ 4.25Å; L39-F331 HydrophobicContact CD2-CD1 3.91Å; L39-F331 HydrophobicContact CD2-CD2 3.94Å; L39-F331 HydrophobicContact CD2-CE1 3.98Å; L39-F331 HydrophobicContact CD2-CE2 4Å; L39-F331 HydrophobicContact CD2-CG 3.88Å; L39-F331 HydrophobicContact CD2-CZ 4.01Å; L39-F331 HydrophobicContact CG-CD1 4.48Å; L39-F331 HydrophobicContact CG-CE1 4.34Å
40	G	61.5	Low	67.9	Low	13 Å²	13	41.3 Å²	41.3	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	165	-179.2	0	0	0	0	0	114.6	V47	G40-V47 PolarHBondContact N-O 2.7Å; G40-V47 PolarHBondContact O-N 2.83Å
41	T	52.6	Low	68.4	Low	68 Å²	68	42.3 Å²	42.3	42%	0.417	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.1	175.1	69.5	0	0	0	0	111	V38 K46 F335 L338	V38-T41 HydrophobicContact CG1-CG2 4.18Å; T41-K46 HydrophobicContact CG2-CG 4.2Å; T41-F335 HydrophobicContact CG2-CD1 4.03Å; T41-F335 HydrophobicContact CG2-CE1 4.27Å; T41-F335 VanDerWaalsContact OG1-CE1 3.28Å; T41-F335 WeakPolarHBondContact OG1-CE1 3.46Å; T41-L338 HydrophobicContact CG2-CD1 4.37Å
42	G	51.4	Low	68.9	Low	51 Å²	51	34.3 Å²	34.3	53%	0.526	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	174.8	-179.4	0	0	0	0	0	113	Y44 G45	G42-Y44 PolarHBondContact O-N 2.71Å; G42-G45 PolarHBondContact N-O 2.78Å; G42-G45 PolarHBondContact O-N 3.43Å; G42-G45 VanDerWaalsContact O-O 3.08Å
43	A	46	Very low	68.6	Low	60 Å²	60	35.8 Å²	35.8	50%	0.496	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.9	-174.6	0	0	0	0	0	115	V722	A43-V722 HydrophobicContact CB-CB 4.25Å; A43-V722 HydrophobicContact CB-CG2 4.46Å
44	Y	48.8	Very low	67.8	Low	39 Å²	39	36.5 Å²	36.5	15%	0.153	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-7.3	-175	-41.3	-61.8	0	0	0	113.5	G42 L67 R68 R75 K720	G42-Y44 PolarHBondContact O-N 2.71Å; Y44-L67 WeakPolarHBondContact O-CA 3.37Å; Y44-R68 PolarHBondContact O-N 3.34Å; Y44-R68 VanDerWaalsContact O-N 3.09Å; Y44-R75 VanDerWaalsContact CE1-CZ 3.48Å; Y44-R75 PolarHBondContact OH-NH1 2.88Å; Y44-R75 PolarHBondContact OH-NH2 2.79Å; Y44-R75 VanDerWaalsContact OH-NH2 3.08Å; Y44-K720 PolarHBondContact OH-O 2.78Å
45	G	61	Low	66.5	Low	19 Å²	19	32.4 Å²	32.4	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	177.2	-166.1	0	0	0	0	0	116.7	G42 V66	G42-G45 PolarHBondContact N-O 2.78Å; G42-G45 PolarHBondContact O-N 3.43Å; G42-G45 VanDerWaalsContact O-O 3.08Å; G45-V66 CarbonylContact C-O 3.49Å; G45-V66 WeakPolarHBondContact CA-O 3.39Å
46	K	67.2	Low	65.3	Low	62 Å²	62	31.7 Å²	31.7	27%	0.27	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155	170	-75.3	-169.8	171.4	-171.9	0	110	T41 F48 V66 V341	T41-K46 HydrophobicContact CG2-CG 4.2Å; K46-F48 HydrophobicContact CB-CD2 4.2Å; K46-F48 HydrophobicContact CB-CE2 3.56Å; K46-F48 HydrophobicContact CB-CZ 3.88Å; K46-F48 HydrophobicContact CD-CE1 3.99Å; K46-F48 HydrophobicContact CD-CE2 4.04Å; K46-F48 HydrophobicContact CD-CZ 3.43Å; K46-F48 VanDerWaalsContact CD-CZ 3.43Å; K46-F48 HydrophobicContact CG-CE2 4.46Å; K46-F48 HydrophobicContact CG-CZ 4.32Å; K46-V66 PolarHBondContact N-O 2.86Å; K46-V66 VanDerWaalsContact N-O 3.09Å; K46-V66 PolarHBondContact O-N 2.86Å; K46-V341 PolarHBondContact NZ-O 3.11Å
47	V	75.1	Confident	64.6	Low	41 Å²	41	31 Å²	31	25%	0.248	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.8	165.8	-174.1	0	0	0	0	108.8	L39 G40 A63 M64 K65	L39-V47 HydrophobicContact CB-CG1 4.22Å; L39-V47 HydrophobicContact CD1-CG1 4.48Å; L39-V47 PolarHBondContact N-O 3.06Å; G40-V47 PolarHBondContact N-O 2.7Å; G40-V47 PolarHBondContact O-N 2.83Å; V47-A63 HydrophobicContact CG1-CB 4.27Å; V47-M64 CarbonylContact C-O 3.56Å; V47-M64 WeakPolarHBondContact CA-O 3.3Å; V47-K65 HydrophobicContact CG2-CB 4.36Å; V47-K65 HydrophobicContact CG2-CG 4.13Å
48	F	76.6	Confident	64.4	Low	2 Å²	2	29.9 Å²	29.9	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.8	178.7	-57.5	-95.8	0	0	0	110.8	L35 K37 V38 K46 V50 A63 M64 V66 P340 Y342	L35-F48 HydrophobicContact CD2-CD1 3.65Å; L35-F48 HydrophobicContact CD2-CD2 4.35Å; L35-F48 HydrophobicContact CD2-CE1 3.7Å; L35-F48 HydrophobicContact CD2-CE2 4.4Å; L35-F48 HydrophobicContact CD2-CG 3.97Å; L35-F48 HydrophobicContact CD2-CZ 4.07Å; L35-F48 HydrophobicContact CG-CB 4.36Å; L35-F48 HydrophobicContact CG-CD1 4.18Å; L35-F48 HydrophobicContact CG-CG 4.29Å; K37-F48 CarbonylContact O-C 3.53Å; K37-F48 VanDerWaalsContact O-CA 3.24Å; K37-F48 WeakPolarHBondContact O-CA 3.43Å; V38-F48 HydrophobicContact CG2-CD1 3.97Å; V38-F48 HydrophobicContact CG2-CE1 3.93Å; K46-F48 HydrophobicContact CB-CD2 4.2Å; K46-F48 HydrophobicContact CB-CE2 3.56Å; K46-F48 HydrophobicContact CB-CZ 3.88Å; K46-F48 HydrophobicContact CD-CE1 3.99Å; K46-F48 HydrophobicContact CD-CE2 4.04Å; K46-F48 HydrophobicContact CD-CZ 3.43Å; K46-F48 VanDerWaalsContact CD-CZ 3.43Å; K46-F48 HydrophobicContact CG-CE2 4.46Å; K46-F48 HydrophobicContact CG-CZ 4.32Å; F48-V50 HydrophobicContact CB-CG1 3.89Å; F48-A63 CarbonylContact O-C 3.59Å; F48-A63 WeakPolarHBondContact O-CA 3.34Å; F48-M64 PolarHBondContact N-O 3.01Å; F48-M64 PolarHBondContact O-N 3.14Å; F48-V66 HydrophobicContact CD2-CG2 3.78Å; F48-V66 HydrophobicContact CE2-CB 4.21Å; F48-V66 HydrophobicContact CE2-CG2 3.72Å; F48-P340 HydrophobicContact CD1-CB 4.4Å; F48-Y342 HydrophobicContact CE2-CE1 4.44Å
49	L	81.4	Confident	64.2	Low	1 Å²	1	31.6 Å²	31.6	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.3	157.2	175.1	57.1	0	0	0	106.8	L36 K37 L39 L61 Y117 L326 V328	L36-L49 HydrophobicContact CB-CB 4.46Å; L36-L49 HydrophobicContact CB-CD2 4.37Å; L36-L49 HydrophobicContact CB-CG 4.1Å; L36-L49 WeakPolarHBondContact CB-O 3.38Å; L36-L49 HydrophobicContact CD1-CD2 4.27Å; L36-L49 HydrophobicContact CD1-CG 3.91Å; L36-L49 PolarHBondContact N-O 3.39Å; K37-L49 HydrophobicContact CB-CB 4.37Å; K37-L49 PolarHBondContact N-O 3.2Å; K37-L49 PolarHBondContact O-N 2.91Å; L39-L49 HydrophobicContact CD1-CB 3.92Å; L39-L49 HydrophobicContact CD2-CB 4.01Å; L39-L49 HydrophobicContact CG-CB 3.86Å; L49-L61 HydrophobicContact CD1-CB 4.13Å; L49-L61 HydrophobicContact CD1-CD1 4.48Å; L49-L61 HydrophobicContact CD1-CD2 4.27Å; L49-Y117 HydrophobicContact CD1-CD1 3.79Å; L49-Y117 HydrophobicContact CD1-CD2 3.63Å; L49-Y117 HydrophobicContact CD1-CE1 3.98Å; L49-Y117 HydrophobicContact CD1-CE2 3.83Å; L49-Y117 HydrophobicContact CD1-CG 3.61Å; L49-Y117 HydrophobicContact CD2-CE1 4.45Å; L49-Y117 HydrophobicContact CD2-CE2 4.4Å; L49-L326 HydrophobicContact CD2-CD2 4.32Å; L49-V328 HydrophobicContact CD2-CG1 3.86Å
50	V	78.2	Confident	64.9	Low	0 Å²	0	35.4 Å²	35.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.7	178.6	-57.7	0	0	0	0	111.2	F33 E34 L35 F48 L61 Y62 M64	F33-V50 HydrophobicContact CB-CB 4.08Å; F33-V50 HydrophobicContact CB-CG1 4.47Å; F33-V50 HydrophobicContact CB-CG2 4.22Å; F33-V50 HydrophobicContact CD1-CB 4.27Å; F33-V50 HydrophobicContact CD1-CG2 3.57Å; F33-V50 HydrophobicContact CE1-CG2 4.34Å; F33-V50 HydrophobicContact CG-CG2 4.21Å; E34-V50 CarbonylContact O-C 3.58Å; E34-V50 WeakPolarHBondContact O-CA 3.4Å; E34-V50 WeakPolarHBondContact O-CB 3.42Å; L35-V50 HydrophobicContact CD1-CG1 3.62Å; L35-V50 HydrophobicContact CG-CG1 3.92Å; F48-V50 HydrophobicContact CB-CG1 3.89Å; V50-L61 WeakPolarHBondContact O-CA 3.23Å; V50-Y62 WeakPolarHBondContact CG2-O 3.45Å; V50-Y62 PolarHBondContact N-O 3.42Å; V50-Y62 PolarHBondContact O-N 3.16Å; V50-M64 HydrophobicContact CG1-CB 3.73Å; V50-M64 HydrophobicContact CG1-CE 4.06Å; V50-M64 HydrophobicContact CG1-SD 4.4Å; V50-M64 HydrophobicContact CG2-CB 3.88Å; V50-M64 HydrophobicContact CG2-CE 4.44Å
51	R	79.2	Confident	65.7	Low	60 Å²	60	35.8 Å²	35.8	23%	0.226	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.3	167.4	-168.4	-175	-61.6	-80.1	10.5	109	F33 E34 L36 A53 G59 K60 L61	F33-R51 CarbonylContact C-O 3.54Å; F33-R51 WeakPolarHBondContact CA-O 3.44Å; E34-R51 HydrophobicContact CB-CB 4.16Å; E34-R51 PolarHBondContact N-O 3.01Å; E34-R51 PolarHBondContact O-N 2.9Å; E34-R51 WeakPolarHBondContact OE2-CB 3.22Å; E34-R51 WeakPolarHBondContact OE2-CD 3.14Å; E34-R51 IonicContact OE2-NE 2.77Å; E34-R51 PolarHBondContact OE2-NE 3.35Å; L36-R51 HydrophobicContact CD1-CB 3.89Å; L36-R51 HydrophobicContact CG-CB 4.39Å; R51-A53 PolarHBondContact O-N 3.04Å; R51-G59 VanDerWaalsContact CG-O 3.25Å; R51-G59 WeakPolarHBondContact CG-O 3.37Å; R51-G59 PolarHBondContact NH1-O 2.71Å; R51-K60 WeakPolarHBondContact CA-O 3.29Å; R51-L61 HydrophobicContact CB-CD2 4.01Å; R51-L61 HydrophobicContact CG-CD2 4.21Å
52	K	79.1	Confident	67	Low	5 Å²	5	32.6 Å²	32.6	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	118	171.5	-170.2	111.8	-174.6	-54.9	0	109	F33 G54 D57 A58 G59 K60 Y62 Y103	F33-K52 HydrophobicContact CD1-CD 4.45Å; F33-K52 HydrophobicContact CE1-CB 4.47Å; F33-K52 HydrophobicContact CE1-CD 3.69Å; F33-K52 HydrophobicContact CZ-CD 3.85Å; K52-G54 WeakPolarHBondContact CE-O 3.23Å; K52-G54 WeakPolarHBondContact CG-O 3.37Å; K52-G54 PolarHBondContact NZ-O 3.44Å; K52-D57 WeakPolarHBondContact CD-OD1 3.24Å; K52-D57 WeakPolarHBondContact CE-OD1 3.49Å; K52-D57 WeakPolarHBondContact CG-OD1 3.36Å; K52-D57 IonicContact NZ-OD1 3.15Å; K52-D57 PolarHBondContact NZ-OD1 2.8Å; K52-A58 CarbonylContact O-C 3.57Å; K52-A58 WeakPolarHBondContact O-CA 3.38Å; K52-G59 PolarHBondContact O-N 3.39Å; K52-K60 PolarHBondContact N-O 3.04Å; K52-Y62 HydrophobicContact CB-CE2 4.39Å; K52-Y62 HydrophobicContact CD-CE2 4.44Å; K52-Y103 HydrophobicContact CD-CE2 4.18Å; K52-Y103 WeakPolarHBondContact CE-OH 3.35Å; K52-Y103 PolarHBondContact NZ-OH 3.2Å
53	A	65.6	Low	68.5	Low	67 Å²	67	30.8 Å²	30.8	55%	0.554	20%	0.199	S	C	*	.			trans	-84.1	-12.3	-174.4	0	0	0	0	0	113.8	N32 R51	N32-A53 PolarHBondContact O-N 3.39Å; R51-A53 PolarHBondContact O-N 3.04Å
54	G	59.3	Low	70.3	Confident	22 Å²	22	27.9 Å²	27.9	23%	0.227	18%	0.175	C	C	.	.	S	Bend	trans	-169.8	173.2	-180	0	0	0	0	0	113.1	K52	K52-G54 WeakPolarHBondContact CE-O 3.23Å; K52-G54 WeakPolarHBondContact CG-O 3.37Å; K52-G54 PolarHBondContact NZ-O 3.44Å
55	G	52.8	Low	71.8	Confident	12 Å²	12	26.8 Å²	26.8	12%	0.124	17%	0.171	C	C	.	.	S	Bend	trans	88.4	-175.8	-173.6	0	0	0	0	0	113.5	D57 A58	G55-D57 PolarHBondContact O-N 2.99Å; G55-A58 WeakPolarHBondContact O-CB 3.41Å; G55-A58 PolarHBondContact O-N 2.66Å; G55-A58 VanDerWaalsContact O-N 3.16Å
56	H	51.3	Low	72.5	Confident	19 Å²	19	26.4 Å²	26.4	9%	0.088	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-7.3	-173.8	46.9	-94.5	0	0	0	117.1	Y103 I366 N372	H56-Y103 AromaticContact NE2-CE1 3.24Å; H56-Y103 WeakPolarHBondContact NE2-CE1 3.03Å; H56-Y103 AromaticContact NE2-CZ 2.95Å; H56-Y103 PolarHBondContact NE2-OH 2.95Å; H56-I366 VanDerWaalsContact CD2-CG2 3.45Å; H56-I366 WeakPolarHBondContact CD2-CG2 3.35Å; H56-I366 PolarHBondContact CD2-O 3.16Å; H56-I366 WeakPolarHBondContact NE2-CG2 3.37Å; H56-N372 PolarHBondContact O-ND2 3.34Å; H56-N372 PolarHBondContact O-OD1 3.23Å
57	D	58.8	Low	72.7	Confident	22 Å²	22	23.9 Å²	23.9	12%	0.118	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	32	178.4	66.3	-25	0	0	0	111.4	K52 G55 K60 Y62 Y103	K52-D57 WeakPolarHBondContact CD-OD1 3.24Å; K52-D57 WeakPolarHBondContact CE-OD1 3.49Å; K52-D57 WeakPolarHBondContact CG-OD1 3.36Å; K52-D57 IonicContact NZ-OD1 3.15Å; K52-D57 PolarHBondContact NZ-OD1 2.8Å; G55-D57 PolarHBondContact O-N 2.99Å; D57-K60 HydrophobicContact CB-CD 4.45Å; D57-K60 VanDerWaalsContact O-CB 3.23Å; D57-K60 WeakPolarHBondContact O-CB 3.47Å; D57-K60 PolarHBondContact O-N 2.79Å; D57-Y62 VanDerWaalsContact OD2-CE2 3.28Å; D57-Y62 WeakPolarHBondContact OD2-CE2 3.28Å; D57-Y62 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y62 PolarHBondContact OD2-OH 3.12Å; D57-Y103 PolarHBondContact OD1-OH 2.79Å; D57-Y103 PolarHBondContact OD2-OH 3.47Å
58	A	70.3	Confident	72.4	Confident	56 Å²	56	28.6 Å²	28.6	46%	0.463	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	149.5	174	0	0	0	0	0	111.9	K52 G55 K60	K52-A58 CarbonylContact O-C 3.57Å; K52-A58 WeakPolarHBondContact O-CA 3.38Å; G55-A58 WeakPolarHBondContact O-CB 3.41Å; G55-A58 PolarHBondContact O-N 2.66Å; G55-A58 VanDerWaalsContact O-N 3.16Å; A58-K60 PolarHBondContact O-N 3.27Å
59	G	66.9	Low	72	Confident	36 Å²	36	29.4 Å²	29.4	37%	0.371	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-23.6	-176.1	0	0	0	0	0	114.7	R51 K52	R51-G59 VanDerWaalsContact CG-O 3.25Å; R51-G59 WeakPolarHBondContact CG-O 3.37Å; R51-G59 PolarHBondContact NH1-O 2.71Å; K52-G59 PolarHBondContact O-N 3.39Å
60	K	79.3	Confident	71.2	Confident	88 Å²	88	31.2 Å²	31.2	38%	0.383	19%	0.186	S	C	.	.			trans	-69.3	145.1	-178.9	-172.2	172.4	167.1	-161.9	0	112.8	R51 K52 D57 A58 Y62	R51-K60 WeakPolarHBondContact CA-O 3.29Å; K52-K60 PolarHBondContact N-O 3.04Å; D57-K60 HydrophobicContact CB-CD 4.45Å; D57-K60 VanDerWaalsContact O-CB 3.23Å; D57-K60 WeakPolarHBondContact O-CB 3.47Å; D57-K60 PolarHBondContact O-N 2.79Å; A58-K60 PolarHBondContact O-N 3.27Å; K60-Y62 HydrophobicContact CB-CE2 4.17Å; K60-Y62 HydrophobicContact CD-CE1 4.28Å; K60-Y62 HydrophobicContact CD-CE2 4.06Å; K60-Y62 WeakPolarHBondContact CD-OH 3.4Å; K60-Y62 VanDerWaalsContact CE-OH 3.32Å; K60-Y62 WeakPolarHBondContact CE-OH 3.42Å; K60-Y62 HydrophobicContact CG-CE2 4.01Å; K60-Y62 PolarHBondContact NZ-OH 2.91Å
61	L	77.9	Confident	70.4	Confident	22 Å²	22	32.8 Å²	32.8	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.7	179.1	-61.8	179.8	0	0	0	112.4	L36 L49 V50 R51 Y117 E325 L326	L36-L61 HydrophobicContact CD1-CD2 3.44Å; L36-L61 VanDerWaalsContact CD1-CD2 3.44Å; L49-L61 HydrophobicContact CD1-CB 4.13Å; L49-L61 HydrophobicContact CD1-CD1 4.48Å; L49-L61 HydrophobicContact CD1-CD2 4.27Å; V50-L61 WeakPolarHBondContact O-CA 3.23Å; R51-L61 HydrophobicContact CB-CD2 4.01Å; R51-L61 HydrophobicContact CG-CD2 4.21Å; L61-Y117 HydrophobicContact CB-CD1 4.04Å; L61-Y117 HydrophobicContact CB-CG 4.5Å; L61-Y117 HydrophobicContact CD1-CD1 4.16Å; L61-Y117 HydrophobicContact CD1-CE1 4.31Å; L61-E325 HydrophobicContact CD1-CB 3.79Å; L61-E325 WeakPolarHBondContact CD1-O 3.33Å; L61-L326 HydrophobicContact CD1-CD2 4.03Å; L61-L326 HydrophobicContact CD2-CD2 3.97Å
62	Y	81.5	Confident	69.5	Low	1 Å²	1	32.2 Å²	32.2	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.4	178.9	-68.2	-72.7	0	0	0	112	F33 V50 K52 D57 K60 H102 Y103 I114 L115	F33-Y62 HydrophobicContact CE1-CD2 4.26Å; V50-Y62 WeakPolarHBondContact CG2-O 3.45Å; V50-Y62 PolarHBondContact N-O 3.42Å; V50-Y62 PolarHBondContact O-N 3.16Å; K52-Y62 HydrophobicContact CB-CE2 4.39Å; K52-Y62 HydrophobicContact CD-CE2 4.44Å; D57-Y62 VanDerWaalsContact OD2-CE2 3.28Å; D57-Y62 WeakPolarHBondContact OD2-CE2 3.28Å; D57-Y62 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y62 PolarHBondContact OD2-OH 3.12Å; K60-Y62 HydrophobicContact CB-CE2 4.17Å; K60-Y62 HydrophobicContact CD-CE1 4.28Å; K60-Y62 HydrophobicContact CD-CE2 4.06Å; K60-Y62 WeakPolarHBondContact CD-OH 3.4Å; K60-Y62 VanDerWaalsContact CE-OH 3.32Å; K60-Y62 WeakPolarHBondContact CE-OH 3.42Å; K60-Y62 HydrophobicContact CG-CE2 4.01Å; K60-Y62 PolarHBondContact NZ-OH 2.91Å; Y62-H102 AromaticContact CD1-CD2 3.89Å; Y62-H102 HydrophobicContact CE1-CB 3.98Å; Y62-H102 AromaticContact CE1-CD2 3.51Å; Y62-H102 AromaticContact CE1-CG 3.55Å; Y62-H102 AromaticContact CE1-NE2 3.95Å; Y62-Y103 HydrophobicContact CE2-CE2 4.13Å; Y62-I114 VanDerWaalsContact CB-CG2 3.48Å; Y62-I114 HydrophobicContact CD1-CG2 3.93Å; Y62-I114 HydrophobicContact CD2-CG2 4.01Å; Y62-I114 HydrophobicContact CG-CG2 3.56Å; Y62-L115 WeakPolarHBondContact CD1-O 3.37Å
63	A	82.7	Confident	68.6	Low	12 Å²	12	32.3 Å²	32.3	10%	0.099	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.3	168.8	0	0	0	0	0	110.4	L39 V47 F48 L115 D116	L39-A63 HydrophobicContact CD1-CB 4.37Å; V47-A63 HydrophobicContact CG1-CB 4.27Å; F48-A63 CarbonylContact O-C 3.59Å; F48-A63 WeakPolarHBondContact O-CA 3.34Å; A63-L115 HydrophobicContact CB-CB 4.36Å; A63-L115 PolarHBondContact N-O 3.23Å; A63-L115 PolarHBondContact O-N 2.68Å; A63-D116 WeakPolarHBondContact CB-O 3.18Å
64	M	82.5	Confident	68	Low	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110	175	-179.5	-168.7	-69.9	0	0	110.8	F33 L35 V47 F48 V50 V66 F105 L113 I114 Y342	F33-M64 HydrophobicContact CB-CE 3.48Å; F33-M64 VanDerWaalsContact CB-CE 3.48Å; F33-M64 HydrophobicContact CD1-CE 4.41Å; F33-M64 HydrophobicContact CD2-CE 3.8Å; F33-M64 HydrophobicContact CG-CE 3.64Å; L35-M64 HydrophobicContact CD1-CE 4.29Å; L35-M64 HydrophobicContact CD1-SD 4.46Å; V47-M64 CarbonylContact C-O 3.56Å; V47-M64 WeakPolarHBondContact CA-O 3.3Å; F48-M64 PolarHBondContact N-O 3.01Å; F48-M64 PolarHBondContact O-N 3.14Å; V50-M64 HydrophobicContact CG1-CB 3.73Å; V50-M64 HydrophobicContact CG1-CE 4.06Å; V50-M64 HydrophobicContact CG1-SD 4.4Å; V50-M64 HydrophobicContact CG2-CB 3.88Å; V50-M64 HydrophobicContact CG2-CE 4.44Å; M64-V66 HydrophobicContact CG-CG2 3.6Å; M64-V66 HydrophobicContact SD-CG2 3.56Å; M64-V66 VanDerWaalsContact SD-CG2 3.56Å; M64-F105 HydrophobicContact CE-CZ 4.01Å; M64-L113 CarbonylContact C-O 3.22Å; M64-L113 WeakPolarHBondContact CA-O 3.29Å; M64-I114 HydrophobicContact CB-CD1 3.68Å; M64-I114 HydrophobicContact CE-CD1 3.78Å; M64-I114 HydrophobicContact CG-CD1 3.56Å; M64-I114 HydrophobicContact SD-CD1 4.48Å; M64-Y342 HydrophobicContact SD-CE1 4.44Å; M64-Y342 PolarHBondContact SD-OH 3.15Å
65	K	81.3	Confident	67.5	Low	15 Å²	15	38.4 Å²	38.4	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.8	169.6	-170.1	-175.3	-160.7	-165.9	0	109.9	V47 L67 E85 H112 L113 L115 D179	V47-K65 HydrophobicContact CG2-CB 4.36Å; V47-K65 HydrophobicContact CG2-CG 4.13Å; K65-L67 HydrophobicContact CD-CD2 4.43Å; K65-L67 HydrophobicContact CG-CD2 4.38Å; K65-E85 IonicContact NZ-OE1 2.99Å; K65-E85 PolarHBondContact NZ-OE1 2.78Å; K65-E85 IonicContact NZ-OE2 2.77Å; K65-E85 PolarHBondContact NZ-OE2 2.96Å; K65-H112 WeakPolarHBondContact O-CA 3.15Å; K65-L113 HydrophobicContact CB-CB 4.34Å; K65-L113 PolarHBondContact N-O 2.79Å; K65-L113 PolarHBondContact O-N 2.77Å; K65-L115 HydrophobicContact CB-CD1 4.48Å; K65-D179 VanDerWaalsContact NZ-CG 3.34Å; K65-D179 IonicContact NZ-OD1 2.68Å; K65-D179 PolarHBondContact NZ-OD1 2.8Å; K65-D179 IonicContact NZ-OD2 3.2Å
66	V	76.1	Confident	67.2	Low	11 Å²	11	40.5 Å²	40.5	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.2	-173.1	-174	0	0	0	0	110.8	G45 K46 F48 M64 K110 L111 Y342	G45-V66 CarbonylContact C-O 3.49Å; G45-V66 WeakPolarHBondContact CA-O 3.39Å; K46-V66 PolarHBondContact N-O 2.86Å; K46-V66 VanDerWaalsContact N-O 3.09Å; K46-V66 PolarHBondContact O-N 2.86Å; F48-V66 HydrophobicContact CD2-CG2 3.78Å; F48-V66 HydrophobicContact CE2-CB 4.21Å; F48-V66 HydrophobicContact CE2-CG2 3.72Å; M64-V66 HydrophobicContact CG-CG2 3.6Å; M64-V66 HydrophobicContact SD-CG2 3.56Å; M64-V66 VanDerWaalsContact SD-CG2 3.56Å; V66-K110 HydrophobicContact CG1-CB 4.3Å; V66-K110 HydrophobicContact CG1-CD 4Å; V66-K110 HydrophobicContact CG1-CG 4.4Å; V66-L111 CarbonylContact C-O 3.1Å; V66-L111 WeakPolarHBondContact CA-O 3.34Å; V66-Y342 HydrophobicContact CG1-CE1 4.49Å; V66-Y342 HydrophobicContact CG2-CE1 4.33Å
67	L	71.4	Confident	66.6	Low	10 Å²	10	46.5 Å²	46.5	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.7	-175.3	-57.6	169	0	0	0	111.4	Y44 K65 L72 K110 L111 L113	Y44-L67 WeakPolarHBondContact O-CA 3.37Å; K65-L67 HydrophobicContact CD-CD2 4.43Å; K65-L67 HydrophobicContact CG-CD2 4.38Å; L67-L72 HydrophobicContact CB-CD1 4.22Å; L67-K110 CarbonylContact O-C 3.4Å; L67-K110 VanDerWaalsContact O-CA 3.22Å; L67-K110 WeakPolarHBondContact O-CA 3.33Å; L67-L111 HydrophobicContact CB-CB 4.35Å; L67-L111 PolarHBondContact N-O 2.94Å; L67-L111 PolarHBondContact O-N 3.21Å; L67-L113 HydrophobicContact CD1-CD1 4.45Å
68	R	68.2	Low	65.6	Low	139 Å²	139	50.9 Å²	50.9	53%	0.525	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.1	178.5	-67.7	-179.3	173.4	-176.7	-4.2	112.1	Y44 A70 A71 L72 S343	Y44-R68 PolarHBondContact O-N 3.34Å; Y44-R68 VanDerWaalsContact O-N 3.09Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.49Å; R68-A71 HydrophobicContact CB-CB 4.32Å; R68-A71 PolarHBondContact O-N 3.11Å; R68-A71 VanDerWaalsContact O-N 3.14Å; R68-L72 PolarHBondContact O-N 3.02Å; R68-S343 PolarHBondContact NH2-OG 3.4Å
69	K	68.8	Low	64	Low	20 Å²	20	52.8 Å²	52.8	9%	0.087	28%	0.278	C	S	.	.	H	α-helix	trans	-55.4	-41.9	-179.4	-80	176.9	165.9	176.9	0	112.9	A71 L72 V73 T107 D108 A109 L111 P349 F356	K69-A71 VanDerWaalsContact C-N 3.34Å; K69-A71 PolarHBondContact O-N 2.86Å; K69-L72 WeakPolarHBondContact O-CB 3.39Å; K69-L72 PolarHBondContact O-N 3.35Å; K69-L72 VanDerWaalsContact O-N 3.09Å; K69-V73 WeakPolarHBondContact O-CG2 3.47Å; K69-V73 PolarHBondContact O-N 2.84Å; K69-T107 VanDerWaalsContact CE-O 3.23Å; K69-T107 WeakPolarHBondContact CE-O 3.3Å; K69-T107 PolarHBondContact NZ-O 3.44Å; K69-D108 VanDerWaalsContact CD-O 3.23Å; K69-D108 WeakPolarHBondContact CD-O 3.26Å; K69-A109 PolarHBondContact N-O 3.18Å; K69-L111 HydrophobicContact CD-CD2 4.33Å; K69-L111 VanDerWaalsContact CE-CD2 3.44Å; K69-L111 HydrophobicContact CG-CD2 3.99Å; K69-L111 HydrophobicContact CG-CG 3.96Å; K69-P349 HydrophobicContact CB-CG 4.19Å; K69-F356 HydrophobicContact CB-CE2 4.21Å; K69-F356 HydrophobicContact CD-CD2 4.1Å; K69-F356 HydrophobicContact CD-CE2 4.28Å; K69-F356 HydrophobicContact CG-CD2 4.2Å; K69-F356 HydrophobicContact CG-CE2 3.98Å; K69-F356 HydrophobicContact CG-CZ 4.35Å
70	A	64.3	Low	62.5	Low	39 Å²	39	59.3 Å²	59.3	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-40.8	178.5	0	0	0	0	0	113.6	R68 L72 Q74	R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.49Å; A70-L72 VanDerWaalsContact C-N 3.29Å; A70-L72 PolarHBondContact O-N 3.44Å; A70-Q74 WeakPolarHBondContact O-CG 3.24Å; A70-Q74 PolarHBondContact O-N 2.88Å
71	A	60.3	Low	60.5	Low	32 Å²	32	64.2 Å²	64.2	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-27.5	176.9	0	0	0	0	0	112.6	R68 K69	R68-A71 HydrophobicContact CB-CB 4.32Å; R68-A71 PolarHBondContact O-N 3.11Å; R68-A71 VanDerWaalsContact O-N 3.14Å; K69-A71 VanDerWaalsContact C-N 3.34Å; K69-A71 PolarHBondContact O-N 2.86Å
72	L	60.5	Low	58.6	Low	48 Å²	48	65.9 Å²	65.9	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-77.9	-44.9	175.2	-62.6	173.2	0	0	0	111.8	L67 R68 K69 A70 Q74 R75 A76 L111 F356	L67-L72 HydrophobicContact CB-CD1 4.22Å; R68-L72 PolarHBondContact O-N 3.02Å; K69-L72 WeakPolarHBondContact O-CB 3.39Å; K69-L72 PolarHBondContact O-N 3.35Å; K69-L72 VanDerWaalsContact O-N 3.09Å; A70-L72 VanDerWaalsContact C-N 3.29Å; A70-L72 PolarHBondContact O-N 3.44Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.78Å; L72-R75 CarbonylContact O-C 3.49Å; L72-R75 PolarHBondContact O-N 3.43Å; L72-A76 PolarHBondContact O-N 3.5Å; L72-L111 HydrophobicContact CD1-CD1 3.47Å; L72-L111 VanDerWaalsContact CD1-CD1 3.47Å; L72-L111 HydrophobicContact CD1-CG 4.27Å; L72-F356 HydrophobicContact CB-CZ 4.32Å
73	V	60.5	Low	56.9	Low	8 Å²	8	71 Å²	71	5%	0.048	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-36.9	179.9	174.1	0	0	0	0	112.1	K69 R75 A76 K77 P349 F356	K69-V73 WeakPolarHBondContact O-CG2 3.47Å; K69-V73 PolarHBondContact O-N 2.84Å; V73-R75 PolarHBondContact O-N 3.04Å; V73-A76 PolarHBondContact O-N 2.95Å; V73-K77 PolarHBondContact O-N 2.88Å; V73-K77 VanDerWaalsContact O-N 3.16Å; V73-P349 HydrophobicContact CB-CB 3.97Å; V73-P349 HydrophobicContact CG1-CB 4.23Å; V73-P349 HydrophobicContact CG2-CB 3.81Å; V73-P349 HydrophobicContact CG2-CG 3.92Å; V73-F356 HydrophobicContact CG2-CE2 3.6Å; V73-F356 HydrophobicContact CG2-CZ 3.77Å
74	Q	52.9	Low	55.8	Low	151 Å²	151	73.7 Å²	73.7	71%	0.706	37%	0.369	S	S	*	.	H	α-helix	trans	-61.1	-30.1	173.2	-74.6	177.1	-17.5	0	0	112.8	A70 L72 T78	A70-Q74 WeakPolarHBondContact O-CG 3.24Å; A70-Q74 PolarHBondContact O-N 2.88Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.78Å; Q74-T78 PolarHBondContact O-OG1 3.06Å
75	R	49.7	Very low	55	Low	65 Å²	65	74.9 Å²	74.9	25%	0.245	37%	0.374	C	S	.	.	H	α-helix	trans	-85.4	-35.1	173	-77.4	-173.1	165.6	-153.7	-0.2	113.8	Y44 L72 V73 K77 T78 Q79 K720	Y44-R75 VanDerWaalsContact CE1-CZ 3.48Å; Y44-R75 PolarHBondContact OH-NH1 2.88Å; Y44-R75 PolarHBondContact OH-NH2 2.79Å; Y44-R75 VanDerWaalsContact OH-NH2 3.08Å; L72-R75 CarbonylContact O-C 3.49Å; L72-R75 PolarHBondContact O-N 3.43Å; V73-R75 PolarHBondContact O-N 3.04Å; R75-K77 VanDerWaalsContact C-N 3.26Å; R75-K77 PolarHBondContact O-N 3.17Å; R75-T78 CarbonylContact O-C 3.55Å; R75-T78 WeakPolarHBondContact O-CA 3.47Å; R75-T78 PolarHBondContact O-N 3.15Å; R75-T78 PolarHBondContact O-OG1 3.1Å; R75-T78 VanDerWaalsContact O-OG1 3.06Å; R75-Q79 PolarHBondContact O-N 2.79Å; R75-K720 PolarHBondContact NH1-O 3.42Å; R75-K720 PolarHBondContact NH2-O 2.92Å
76	A	46.4	Very low	54.3	Low	56 Å²	56	76.1 Å²	76.1	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-38.4	176.7	0	0	0	0	0	111.7	L72 V73 T78 Q79	L72-A76 PolarHBondContact O-N 3.5Å; V73-A76 PolarHBondContact O-N 2.95Å; A76-T78 PolarHBondContact O-N 2.8Å; A76-Q79 PolarHBondContact O-N 3.47Å
77	K	38.9	Very low	53.6	Low	146 Å²	146	76.7 Å²	76.7	64%	0.635	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	0.4	172.3	-66.4	-177	-177.8	178.5	0	114.4	V73 R75 P350	V73-K77 PolarHBondContact O-N 2.88Å; V73-K77 VanDerWaalsContact O-N 3.16Å; R75-K77 VanDerWaalsContact C-N 3.26Å; R75-K77 PolarHBondContact O-N 3.17Å; K77-P350 PolarHBondContact NZ-O 3.36Å
78	T	36.7	Very low	53.4	Low	113 Å²	113	76.3 Å²	76.3	69%	0.693	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	16.5	179	44.5	0	0	0	0	113.9	Q74 R75 A76	Q74-T78 PolarHBondContact O-OG1 3.06Å; R75-T78 CarbonylContact O-C 3.55Å; R75-T78 WeakPolarHBondContact O-CA 3.47Å; R75-T78 PolarHBondContact O-N 3.15Å; R75-T78 PolarHBondContact O-OG1 3.1Å; R75-T78 VanDerWaalsContact O-OG1 3.06Å; A76-T78 PolarHBondContact O-N 2.8Å
79	Q	36.3	Very low	53.3	Low	96 Å²	96	69.7 Å²	69.7	45%	0.449	36%	0.356	S	S	.	.			trans	-139.3	132.5	179.1	-67.1	-169.8	-61.1	0	0	113.2	R75 A76	R75-Q79 PolarHBondContact O-N 2.79Å; A76-Q79 PolarHBondContact O-N 3.47Å
80	E	35.8	Very low	53.1	Low	173 Å²	173	70.5 Å²	70.5	81%	0.808	36%	0.36	S	S	*	.			trans	-71.8	154.4	169.7	-66.6	177.5	137.3	0	0	112.2	T82	E80-T82 PolarHBondContact O-N 2.78Å; E80-T82 PolarHBondContact O-OG1 3.09Å
81	H	37.4	Very low	53	Low	192 Å²	192	71.6 Å²	71.6	89%	0.889	36%	0.36	S	S	*	.			trans	-32.7	115.4	-172.4	-58.6	-86.1	0	0	0	114.3
82	T	38.3	Very low	53.3	Low	57 Å²	57	70.1 Å²	70.1	35%	0.35	35%	0.348	S	S	.	.			trans	-140	131.5	179.3	-61.6	0	0	0	0	108	E80 K184	E80-T82 PolarHBondContact O-N 2.78Å; E80-T82 PolarHBondContact O-OG1 3.09Å; T82-K184 HydrophobicContact CG2-CB 4.27Å; T82-K184 HydrophobicContact CG2-CD 3.65Å; T82-K184 HydrophobicContact CG2-CG 3.96Å; T82-K184 WeakPolarHBondContact OG1-CD 3.39Å; T82-K184 WeakPolarHBondContact OG1-CE 3.48Å; T82-K184 PolarHBondContact OG1-NZ 3.39Å
83	R	46.2	Very low	53.5	Low	109 Å²	109	69.5 Å²	69.5	41%	0.411	34%	0.342	S	S	.	.			trans	-58.7	138.8	176	-83.9	-165.1	-174.9	135.7	29.7	110.8	L91 E185	R83-L91 VanDerWaalsContact NH1-CD1 3.34Å; R83-E185 WeakPolarHBondContact CD-OE2 2.97Å; R83-E185 IonicContact CZ-OE1 3.36Å; R83-E185 IonicContact CZ-OE2 3.37Å; R83-E185 IonicContact NE-OE1 2.76Å; R83-E185 IonicContact NE-OE2 3.13Å; R83-E185 PolarHBondContact NE-OE2 2.83Å; R83-E185 IonicContact NH1-OE1 2.74Å; R83-E185 PolarHBondContact NH1-OE1 3.06Å; R83-E185 IonicContact NH1-OE2 3.48Å; R83-E185 PolarHBondContact NH1-OE2 3.49Å; R83-E185 VanDerWaalsContact NH2-CD 3.27Å; R83-E185 IonicContact NH2-OE1 2.7Å; R83-E185 PolarHBondContact NH2-OE1 3.14Å; R83-E185 IonicContact NH2-OE2 3.42Å; R83-E185 PolarHBondContact NH2-OE2 2.97Å
84	T	59.1	Low	53.5	Low	67 Å²	67	74.5 Å²	74.5	41%	0.411	37%	0.365	S	S	.	.			trans	-66.2	156.7	179.7	69.8	0	0	0	0	111.5	R86 S87 V88	T84-R86 PolarHBondContact O-N 2.77Å; T84-S87 WeakPolarHBondContact O-CA 3.35Å; T84-S87 VanDerWaalsContact O-CB 3.31Å; T84-S87 WeakPolarHBondContact O-CB 3.1Å; T84-S87 PolarHBondContact O-N 3.44Å; T84-S87 PolarHBondContact OG1-N 2.77Å; T84-S87 PolarHBondContact OG1-OG 3.26Å; T84-V88 PolarHBondContact O-N 2.82Å; T84-V88 VanDerWaalsContact O-N 3.17Å
85	E	66.8	Low	54.5	Low	26 Å²	26	67.8 Å²	67.8	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-52.1	-42.5	176.8	-174	179.4	176	0	0	112	K65 S87 V88 L89 L113 F180	K65-E85 IonicContact NZ-OE1 2.99Å; K65-E85 PolarHBondContact NZ-OE1 2.78Å; K65-E85 IonicContact NZ-OE2 2.77Å; K65-E85 PolarHBondContact NZ-OE2 2.96Å; E85-S87 VanDerWaalsContact C-N 3.28Å; E85-S87 PolarHBondContact O-N 2.79Å; E85-V88 PolarHBondContact O-N 2.97Å; E85-V88 VanDerWaalsContact O-N 3.13Å; E85-L89 HydrophobicContact CG-CD1 3.98Å; E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 WeakPolarHBondContact O-CG 3.5Å; E85-L89 PolarHBondContact O-N 3.37Å; E85-L113 HydrophobicContact CB-CD1 4.45Å; E85-L113 HydrophobicContact CG-CD1 4.16Å; E85-F180 HydrophobicContact CG-CB 4.07Å
86	R	64.8	Low	55.8	Low	41 Å²	41	67.1 Å²	67.1	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-49.7	-46.9	171.1	-178.4	-166	62.4	74	-8	112.2	T84 V88 L89 E90 L101 A104 L113 Y359 R445	T84-R86 PolarHBondContact O-N 2.77Å; R86-V88 VanDerWaalsContact C-N 3.35Å; R86-L89 PolarHBondContact O-N 3.34Å; R86-E90 WeakPolarHBondContact CD-OE1 3.46Å; R86-E90 WeakPolarHBondContact CG-OE1 3.46Å; R86-E90 IonicContact CZ-OE1 3.17Å; R86-E90 IonicContact NH1-OE1 3.92Å; R86-E90 PolarHBondContact NH1-OE1 2.67Å; R86-E90 IonicContact NH1-OE2 3.23Å; R86-E90 PolarHBondContact NH1-OE2 3.43Å; R86-E90 WeakPolarHBondContact O-CG 3.48Å; R86-E90 PolarHBondContact O-N 2.58Å; R86-L101 HydrophobicContact CG-CD2 4.17Å; R86-A104 HydrophobicContact CG-CB 4.21Å; R86-L113 HydrophobicContact CB-CD2 4.01Å; R86-L113 HydrophobicContact CG-CD2 4.28Å; R86-Y359 HydrophobicContact CB-CE2 4.07Å; R86-Y359 VanDerWaalsContact CD-O 3.25Å; R86-Y359 WeakPolarHBondContact CD-O 3.27Å; R86-R445 VanDerWaalsContact NH1-NH1 3.18Å
87	S	62.7	Low	57.9	Low	22 Å²	22	64.6 Å²	64.6	15%	0.154	32%	0.318	C	S	.	.	H	α-helix	trans	-71.6	-26.5	-177.6	-48.6	0	0	0	0	113.3	T84 E85 L91	T84-S87 WeakPolarHBondContact O-CA 3.35Å; T84-S87 VanDerWaalsContact O-CB 3.31Å; T84-S87 WeakPolarHBondContact O-CB 3.1Å; T84-S87 PolarHBondContact O-N 3.44Å; T84-S87 PolarHBondContact OG1-N 2.77Å; T84-S87 PolarHBondContact OG1-OG 3.26Å; E85-S87 VanDerWaalsContact C-N 3.28Å; E85-S87 PolarHBondContact O-N 2.79Å; S87-L91 VanDerWaalsContact O-CD1 3.28Å; S87-L91 WeakPolarHBondContact O-CD1 3.16Å; S87-L91 WeakPolarHBondContact O-CG 3.49Å
88	V	65.9	Low	60.2	Low	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-72.4	-49.5	170.5	168.9	0	0	0	0	109.7	T84 E85 R86 E90 L91 V92 I157 F180	T84-V88 PolarHBondContact O-N 2.82Å; T84-V88 VanDerWaalsContact O-N 3.17Å; E85-V88 PolarHBondContact O-N 2.97Å; E85-V88 VanDerWaalsContact O-N 3.13Å; R86-V88 VanDerWaalsContact C-N 3.35Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 3.17Å; V88-L91 PolarHBondContact O-N 2.88Å; V88-V92 PolarHBondContact O-N 2.81Å; V88-I157 HydrophobicContact CG1-CD1 4.23Å; V88-I157 HydrophobicContact CG1-CG2 4.38Å; V88-F180 HydrophobicContact CB-CB 4.37Å; V88-F180 HydrophobicContact CG1-CB 3.81Å; V88-F180 HydrophobicContact CG1-CD1 3.87Å; V88-F180 HydrophobicContact CG1-CD2 4.44Å; V88-F180 HydrophobicContact CG1-CG 3.79Å
89	L	67.6	Low	62.4	Low	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-37.5	178.1	-80.9	162.7	0	0	0	113.7	E85 R86 L91 R93 V99 L101 L113 L115 F180	E85-L89 HydrophobicContact CG-CD1 3.98Å; E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 WeakPolarHBondContact O-CG 3.5Å; E85-L89 PolarHBondContact O-N 3.37Å; R86-L89 PolarHBondContact O-N 3.34Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3.14Å; L89-R93 PolarHBondContact O-N 3.45Å; L89-V99 HydrophobicContact CD2-CG1 3.97Å; L89-L101 HydrophobicContact CB-CB 3.82Å; L89-L101 HydrophobicContact CB-CD2 3.9Å; L89-L101 HydrophobicContact CB-CG 4.41Å; L89-L101 HydrophobicContact CD1-CB 4.49Å; L89-L101 HydrophobicContact CD1-CD1 4.39Å; L89-L101 HydrophobicContact CD2-CB 4.36Å; L89-L101 HydrophobicContact CG-CB 4.46Å; L89-L113 HydrophobicContact CD1-CD1 3.9Å; L89-L113 HydrophobicContact CD1-CD2 4.48Å; L89-L115 HydrophobicContact CD1-CD2 3.82Å; L89-L115 HydrophobicContact CD2-CD2 3.87Å; L89-L115 HydrophobicContact CG-CD2 4.49Å; L89-F180 HydrophobicContact CD2-CD2 3.52Å; L89-F180 HydrophobicContact CD2-CE2 3.7Å; L89-F180 HydrophobicContact CG-CD2 3.86Å; L89-F180 HydrophobicContact CG-CE2 4.45Å
90	E	63.5	Low	64.4	Low	37 Å²	37	49.7 Å²	49.7	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-28.2	176.7	-76.4	167.9	-157.2	0	0	113.3	R86 V88 L101 F361 R445	R86-E90 WeakPolarHBondContact CD-OE1 3.46Å; R86-E90 WeakPolarHBondContact CG-OE1 3.46Å; R86-E90 IonicContact CZ-OE1 3.17Å; R86-E90 IonicContact NH1-OE1 3.92Å; R86-E90 PolarHBondContact NH1-OE1 2.67Å; R86-E90 IonicContact NH1-OE2 3.23Å; R86-E90 PolarHBondContact NH1-OE2 3.43Å; R86-E90 WeakPolarHBondContact O-CG 3.48Å; R86-E90 PolarHBondContact O-N 2.58Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 3.17Å; E90-L101 HydrophobicContact CG-CD2 3.95Å; E90-F361 HydrophobicContact CG-CE1 4.12Å; E90-F361 HydrophobicContact CG-CZ 4.24Å; E90-R445 IonicContact OE1-CZ 3.86Å; E90-R445 IonicContact OE1-NH1 2.77Å; E90-R445 PolarHBondContact OE1-NH1 2.89Å; E90-R445 IonicContact OE2-NH1 2.69Å; E90-R445 PolarHBondContact OE2-NH1 3.02Å
91	L	62.3	Low	66.3	Low	62 Å²	62	41.5 Å²	41.5	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-82.2	-33.7	178.9	-65.7	164.6	0	0	0	112.5	R83 S87 V88 L89 L155 F422	R83-L91 VanDerWaalsContact NH1-CD1 3.34Å; S87-L91 VanDerWaalsContact O-CD1 3.28Å; S87-L91 WeakPolarHBondContact O-CD1 3.16Å; S87-L91 WeakPolarHBondContact O-CG 3.49Å; V88-L91 PolarHBondContact O-N 2.88Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3.14Å; L91-L155 HydrophobicContact CB-CD1 4.36Å; L91-F422 HydrophobicContact CD2-CZ 4.3Å
92	V	66.9	Low	67.8	Low	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.168	C	C	.	.	S	Bend	trans	-91.2	3.4	-177.7	-55.8	0	0	0	0	113.6	V88 Q94 A95 L98 L152 L155 I157 F180	V88-V92 PolarHBondContact O-N 2.81Å; V92-Q94 PolarHBondContact O-N 3.14Å; V92-A95 HydrophobicContact CB-CB 4.48Å; V92-A95 VanDerWaalsContact O-CB 3.26Å; V92-A95 WeakPolarHBondContact O-CB 3.4Å; V92-A95 PolarHBondContact O-N 3.04Å; V92-L98 HydrophobicContact CB-CD1 3.78Å; V92-L98 HydrophobicContact CG1-CD1 3.94Å; V92-L98 HydrophobicContact CG2-CD1 4.43Å; V92-L152 HydrophobicContact CG1-CD2 3.62Å; V92-L155 HydrophobicContact CG1-CD1 3.97Å; V92-I157 HydrophobicContact CG1-CD1 4.32Å; V92-F180 HydrophobicContact CG2-CE2 3.98Å; V92-F180 HydrophobicContact CG2-CZ 4.01Å
93	R	64.4	Low	69.3	Low	35 Å²	35	30.4 Å²	30.4	13%	0.132	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-15	-168	-161.5	-180	70.7	91.6	-1	116.3	L89 T100 S365	L89-R93 PolarHBondContact O-N 3.45Å; R93-T100 HydrophobicContact CG-CG2 3.66Å; R93-S365 PolarHBondContact NH1-OG 3.3Å
94	Q	61.9	Low	70.4	Confident	113 Å²	113	25.2 Å²	25.2	53%	0.528	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	9.8	179.7	-69	175.3	-39.3	0	0	112.6	V92	V92-Q94 PolarHBondContact O-N 3.14Å
95	A	72.2	Confident	70.9	Confident	10 Å²	10	22.2 Å²	22.2	8%	0.083	11%	0.114	C	C	.	.			trans	-84.8	132.1	-176.3	0	0	0	0	0	111.5	V92 L98	V92-A95 HydrophobicContact CB-CB 4.48Å; V92-A95 VanDerWaalsContact O-CB 3.26Å; V92-A95 WeakPolarHBondContact O-CB 3.4Å; V92-A95 PolarHBondContact O-N 3.04Å; A95-L98 HydrophobicContact CB-CB 4.2Å; A95-L98 HydrophobicContact CB-CD1 3.72Å; A95-L98 HydrophobicContact CB-CG 4.11Å; A95-L98 PolarHBondContact O-N 2.91Å
96	P	77.8	Confident	70.8	Confident	50 Å²	50	23.7 Å²	23.7	33%	0.325	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	143.2	176.1	29.3	-35.3	0	0	0	110.5	L98	P96-L98 PolarHBondContact O-N 3.47Å
97	F	90.4	Very high	71	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.018	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	15.8	179.8	-39.2	-79.2	0	0	0	115.7	E144 L147 A148 H174 I175 V176 L177 L309 R312	F97-E144 HydrophobicContact CD1-CB 3.86Å; F97-E144 HydrophobicContact CD1-CG 3.9Å; F97-E144 HydrophobicContact CD2-CB 4.37Å; F97-E144 HydrophobicContact CE1-CB 4.01Å; F97-E144 HydrophobicContact CE1-CG 3.52Å; F97-E144 HydrophobicContact CE2-CG 4.36Å; F97-E144 HydrophobicContact CG-CB 4.07Å; F97-E144 HydrophobicContact CG-CG 4.48Å; F97-E144 HydrophobicContact CZ-CB 4.33Å; F97-E144 HydrophobicContact CZ-CG 3.79Å; F97-L147 HydrophobicContact CD2-CB 4.22Å; F97-L147 HydrophobicContact CD2-CD1 4.36Å; F97-L147 HydrophobicContact CE2-CB 4.36Å; F97-L147 HydrophobicContact CE2-CD1 3.68Å; F97-L147 HydrophobicContact CZ-CD1 4.49Å; F97-A148 HydrophobicContact CB-CB 4.22Å; F97-H174 HydrophobicContact CD1-CB 4.36Å; F97-H174 HydrophobicContact CE1-CB 4.1Å; F97-I175 VanDerWaalsContact CA-O 3.28Å; F97-I175 WeakPolarHBondContact CA-O 3.39Å; F97-I175 WeakPolarHBondContact CB-O 3.27Å; F97-I175 VanDerWaalsContact CD1-O 3.28Å; F97-I175 WeakPolarHBondContact CD1-O 3.41Å; F97-V176 WeakPolarHBondContact O-CA 3.41Å; F97-L177 PolarHBondContact O-N 2.84Å; F97-L309 WeakPolarHBondContact CZ-O 3.42Å; F97-R312 HydrophobicContact CE1-CG 4.13Å; F97-R312 HydrophobicContact CZ-CG 4.03Å
98	L	86.6	Confident	71.2	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.047	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-117.7	147.7	169.8	-60.8	-174.2	0	0	0	110.1	V92 A95 P96 A148 L152 L177 F180	V92-L98 HydrophobicContact CB-CD1 3.78Å; V92-L98 HydrophobicContact CG1-CD1 3.94Å; V92-L98 HydrophobicContact CG2-CD1 4.43Å; A95-L98 HydrophobicContact CB-CB 4.2Å; A95-L98 HydrophobicContact CB-CD1 3.72Å; A95-L98 HydrophobicContact CB-CG 4.11Å; A95-L98 PolarHBondContact O-N 2.91Å; P96-L98 PolarHBondContact O-N 3.47Å; L98-A148 HydrophobicContact CD2-CB 3.74Å; L98-A148 HydrophobicContact CG-CB 4.4Å; L98-L152 HydrophobicContact CD1-CD1 4.47Å; L98-L152 HydrophobicContact CD1-CD2 3.74Å; L98-L152 HydrophobicContact CD1-CG 3.88Å; L98-L152 HydrophobicContact CD2-CD1 4.16Å; L98-L152 HydrophobicContact CD2-CG 4.41Å; L98-L177 HydrophobicContact CD2-CB 3.82Å; L98-L177 HydrophobicContact CD2-CD1 3.95Å; L98-L177 HydrophobicContact CD2-CG 4.11Å; L98-F180 HydrophobicContact CB-CZ 4.2Å; L98-F180 HydrophobicContact CD1-CZ 4.47Å; L98-F180 HydrophobicContact CD2-CE1 4.38Å; L98-F180 HydrophobicContact CD2-CZ 4.08Å; L98-F180 HydrophobicContact CG-CZ 4.48Å
99	V	83	Confident	71.1	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-74.6	136.3	-178.5	67.8	0	0	0	0	113.2	L89 L115 D116 V176 L177 F180	L89-V99 HydrophobicContact CD2-CG1 3.97Å; V99-L115 HydrophobicContact CG2-CB 3.93Å; V99-D116 HydrophobicContact CG2-CB 4.02Å; V99-V176 HydrophobicContact CB-CG1 3.81Å; V99-V176 HydrophobicContact CG2-CG1 4.47Å; V99-L177 WeakPolarHBondContact CG1-O 3.35Å; V99-L177 PolarHBondContact N-O 2.81Å; V99-F180 HydrophobicContact CG1-CD2 4.36Å; V99-F180 HydrophobicContact CG1-CE2 3.74Å
100	T	78.3	Confident	71.2	Confident	31 Å²	31	30.8 Å²	30.8	19%	0.19	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-83.7	144.2	179	-41.9	0	0	0	0	111.6	R93 L115 D116	R93-T100 HydrophobicContact CG-CG2 3.66Å; T100-L115 VanDerWaalsContact O-CA 3.29Å; T100-L115 WeakPolarHBondContact O-CA 3.47Å; T100-D116 WeakPolarHBondContact CA-OD2 3.42Å; T100-D116 WeakPolarHBondContact CB-OD2 3.11Å; T100-D116 PolarHBondContact N-OD2 2.95Å; T100-D116 PolarHBondContact O-N 2.95Å; T100-D116 PolarHBondContact OG1-OD2 3.03Å
101	L	76.4	Confident	71.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.9	167.7	175.8	74.8	0	0	0	110.9	R86 L89 E90 Y103 L113 L115 F361	R86-L101 HydrophobicContact CG-CD2 4.17Å; L89-L101 HydrophobicContact CB-CB 3.82Å; L89-L101 HydrophobicContact CB-CD2 3.9Å; L89-L101 HydrophobicContact CB-CG 4.41Å; L89-L101 HydrophobicContact CD1-CB 4.49Å; L89-L101 HydrophobicContact CD1-CD1 4.39Å; L89-L101 HydrophobicContact CD2-CB 4.36Å; L89-L101 HydrophobicContact CG-CB 4.46Å; E90-L101 HydrophobicContact CG-CD2 3.95Å; L101-Y103 WeakPolarHBondContact CD1-O 3.38Å; L101-L113 HydrophobicContact CD1-CB 4.02Å; L101-L113 HydrophobicContact CD1-CD2 3.76Å; L101-L113 HydrophobicContact CD1-CG 4.5Å; L101-L113 HydrophobicContact CD2-CD2 4.38Å; L101-L115 HydrophobicContact CB-CD2 4.09Å; L101-L115 HydrophobicContact CD1-CD2 3.68Å; L101-F361 HydrophobicContact CD2-CD1 4.02Å; L101-F361 HydrophobicContact CD2-CE1 4.23Å; L101-F361 HydrophobicContact CG-CD1 4.33Å; L101-F361 HydrophobicContact CG-CE1 4.42Å
102	H	68.1	Low	72.3	Confident	16 Å²	16	26.3 Å²	26.3	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-40.5	-179.5	-61.1	-85	0	0	0	112.4	Y62 I114 D116 A363	Y62-H102 AromaticContact CD1-CD2 3.89Å; Y62-H102 HydrophobicContact CE1-CB 3.98Å; Y62-H102 AromaticContact CE1-CD2 3.51Å; Y62-H102 AromaticContact CE1-CG 3.55Å; Y62-H102 AromaticContact CE1-NE2 3.95Å; H102-I114 PolarHBondContact N-O 3.41Å; H102-D116 IonicContact CD2-OD1 2.79Å; H102-D116 IonicContact CE1-OD1 3.08Å; H102-D116 IonicContact NE2-OD1 3.77Å; H102-D116 PolarHBondContact NE2-OD1 3.42Å; H102-A363 WeakPolarHBondContact O-CB 3.45Å; H102-A363 PolarHBondContact O-N 3.48Å
103	Y	71.3	Confident	72.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.8	179.1	-48.4	-98	0	0	0	111.5	V28 F33 K52 H56 D57 Y62 L101 I114 F361 V362 I366	V28-Y103 HydrophobicContact CG1-CD1 4.11Å; V28-Y103 HydrophobicContact CG2-CD1 4.48Å; F33-Y103 HydrophobicContact CZ-CD2 4.16Å; F33-Y103 HydrophobicContact CZ-CE2 4.45Å; F33-Y103 HydrophobicContact CZ-CG 4.48Å; K52-Y103 HydrophobicContact CD-CE2 4.18Å; K52-Y103 WeakPolarHBondContact CE-OH 3.35Å; K52-Y103 PolarHBondContact NZ-OH 3.2Å; H56-Y103 AromaticContact NE2-CE1 3.24Å; H56-Y103 WeakPolarHBondContact NE2-CE1 3.03Å; H56-Y103 AromaticContact NE2-CZ 2.95Å; H56-Y103 PolarHBondContact NE2-OH 2.95Å; D57-Y103 PolarHBondContact OD1-OH 2.79Å; D57-Y103 PolarHBondContact OD2-OH 3.47Å; Y62-Y103 HydrophobicContact CE2-CE2 4.13Å; L101-Y103 WeakPolarHBondContact CD1-O 3.38Å; Y103-I114 HydrophobicContact CD2-CB 3.87Å; Y103-I114 HydrophobicContact CD2-CG1 4.29Å; Y103-I114 HydrophobicContact CD2-CG2 3.76Å; Y103-I114 HydrophobicContact CE2-CG2 4.5Å; Y103-I114 HydrophobicContact CG-CB 4.35Å; Y103-I114 HydrophobicContact CG-CG1 4.45Å; Y103-I114 PolarHBondContact O-N 2.67Å; Y103-F361 WeakPolarHBondContact CA-O 3.48Å; Y103-V362 HydrophobicContact CD1-CB 4.37Å; Y103-V362 HydrophobicContact CD1-CG1 3.99Å; Y103-V362 HydrophobicContact CD1-CG2 4.14Å; Y103-V362 HydrophobicContact CE1-CG1 3.82Å; Y103-I366 HydrophobicContact CE1-CG2 4.25Å; Y103-I366 WeakPolarHBondContact OH-CG2 3.15Å
104	A	68.5	Low	73.6	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.2	163.9	0	0	0	0	0	109.7	R86 H112 L113 Y359 S360 F361	R86-A104 HydrophobicContact CG-CB 4.21Å; A104-H112 VanDerWaalsContact CA-O 3.31Å; A104-H112 WeakPolarHBondContact CA-O 3.33Å; A104-L113 HydrophobicContact CB-CD2 3.79Å; A104-Y359 HydrophobicContact CB-CD1 4.3Å; A104-Y359 HydrophobicContact CB-CE1 3.94Å; A104-S360 CarbonylContact O-C 3.57Å; A104-S360 VanDerWaalsContact O-CA 3.27Å; A104-S360 WeakPolarHBondContact O-CA 3.48Å; A104-F361 HydrophobicContact CB-CB 3.88Å; A104-F361 PolarHBondContact N-O 3.21Å; A104-F361 PolarHBondContact O-N 2.86Å
105	F	69.4	Low	74.5	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	175	176	62.6	-92.6	0	0	0	111.6	V28 S29 V30 F33 M64 H112 I114 Y359	V28-F105 HydrophobicContact CG1-CD1 3.96Å; V28-F105 HydrophobicContact CG1-CE1 4.29Å; V28-F105 WeakPolarHBondContact O-CB 3.32Å; V28-F105 WeakPolarHBondContact O-CG 3.21Å; S29-F105 VanDerWaalsContact C-CZ 3.49Å; S29-F105 WeakPolarHBondContact O-CZ 3.17Å; V30-F105 HydrophobicContact CG2-CE2 4.12Å; F33-F105 HydrophobicContact CD2-CE1 4.02Å; F33-F105 HydrophobicContact CD2-CZ 4.1Å; F33-F105 AromaticContact CE2-CE1 3.61Å; F33-F105 HydrophobicContact CE2-CE1 3.61Å; F33-F105 HydrophobicContact CE2-CZ 4.17Å; M64-F105 HydrophobicContact CE-CZ 4.01Å; F105-H112 HydrophobicContact CD1-CB 4.05Å; F105-H112 HydrophobicContact CD2-CB 3.78Å; F105-H112 AromaticContact CD2-CG 3.76Å; F105-H112 AromaticContact CD2-ND1 3.58Å; F105-H112 HydrophobicContact CE1-CB 3.83Å; F105-H112 HydrophobicContact CE2-CB 3.53Å; F105-H112 AromaticContact CE2-CD2 3.78Å; F105-H112 AromaticContact CE2-CE1 3.99Å; F105-H112 AromaticContact CE2-CG 3.32Å; F105-H112 AromaticContact CE2-ND1 3.46Å; F105-H112 WeakPolarHBondContact CE2-ND1 3.22Å; F105-H112 HydrophobicContact CG-CB 4.03Å; F105-H112 HydrophobicContact CZ-CB 3.57Å; F105-H112 AromaticContact CZ-CG 3.75Å; F105-H112 PolarHBondContact N-O 3.27Å; F105-H112 PolarHBondContact O-N 2.93Å; F105-I114 HydrophobicContact CD1-CG1 4.47Å; F105-I114 HydrophobicContact CE1-CD1 3.9Å; F105-I114 HydrophobicContact CE1-CG1 3.92Å; F105-Y359 WeakPolarHBondContact O-CE1 3.35Å
106	Q	65.6	Low	74.9	Confident	57 Å²	57	21.3 Å²	21.3	27%	0.266	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.5	-175	61.1	179.5	-37.7	0	0	112.8	K110 L111 F356 Y359	Q106-K110 WeakPolarHBondContact CA-O 3.31Å; Q106-L111 HydrophobicContact CB-CD2 3.65Å; Q106-F356 PolarHBondContact NE2-O 2.94Å; Q106-Y359 HydrophobicContact CB-CD1 4.34Å
107	T	68.8	Low	75.2	Confident	49 Å²	49	20.4 Å²	20.4	30%	0.301	11%	0.108	S	C	.	.			trans	-123.9	176.4	162.8	64	0	0	0	0	108.5	V30 K69 A109 K110	V30-T107 HydrophobicContact CG2-CG2 4.46Å; K69-T107 VanDerWaalsContact CE-O 3.23Å; K69-T107 WeakPolarHBondContact CE-O 3.3Å; K69-T107 PolarHBondContact NZ-O 3.44Å; T107-A109 PolarHBondContact O-N 2.94Å; T107-A109 VanDerWaalsContact O-N 3.1Å; T107-K110 PolarHBondContact N-O 2.89Å; T107-K110 PolarHBondContact O-N 3.42Å
108	D	66.3	Low	74.8	Confident	131 Å²	131	20.7 Å²	20.7	70%	0.701	11%	0.11	S	C	*	.	S	Bend	trans	-57.5	-33.6	-171.5	-46.3	-46.8	0	0	0	113.4	K69	K69-D108 VanDerWaalsContact CD-O 3.23Å; K69-D108 WeakPolarHBondContact CD-O 3.26Å
109	A	63.8	Low	74.4	Confident	14 Å²	14	21.1 Å²	21.1	12%	0.116	11%	0.114	C	C	.	.	S	Bend	trans	-106.2	-12.1	-178.3	0	0	0	0	0	115	K69 T107 G346	K69-A109 PolarHBondContact N-O 3.18Å; T107-A109 PolarHBondContact O-N 2.94Å; T107-A109 VanDerWaalsContact O-N 3.1Å; A109-G346 VanDerWaalsContact CB-O 3.3Å; A109-G346 WeakPolarHBondContact CB-O 3.38Å
110	K	69.8	Low	74.1	Confident	21 Å²	21	21 Å²	21	9%	0.091	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.6	-167.1	-59.1	167.7	-173.8	164.5	0	113.2	V66 L67 Q106 T107 S343	V66-K110 HydrophobicContact CG1-CB 4.3Å; V66-K110 HydrophobicContact CG1-CD 4Å; V66-K110 HydrophobicContact CG1-CG 4.4Å; L67-K110 CarbonylContact O-C 3.4Å; L67-K110 VanDerWaalsContact O-CA 3.22Å; L67-K110 WeakPolarHBondContact O-CA 3.33Å; Q106-K110 WeakPolarHBondContact CA-O 3.31Å; T107-K110 PolarHBondContact N-O 2.89Å; T107-K110 PolarHBondContact O-N 3.42Å; K110-S343 PolarHBondContact NZ-O 3.27Å
111	L	71.7	Confident	73.9	Confident	5 Å²	5	19.6 Å²	19.6	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.6	165.9	-55.4	179.3	0	0	0	109	V66 L67 K69 L72 Q106 F356 Y359	V66-L111 CarbonylContact C-O 3.1Å; V66-L111 WeakPolarHBondContact CA-O 3.34Å; L67-L111 HydrophobicContact CB-CB 4.35Å; L67-L111 PolarHBondContact N-O 2.94Å; L67-L111 PolarHBondContact O-N 3.21Å; K69-L111 HydrophobicContact CD-CD2 4.33Å; K69-L111 VanDerWaalsContact CE-CD2 3.44Å; K69-L111 HydrophobicContact CG-CD2 3.99Å; K69-L111 HydrophobicContact CG-CG 3.96Å; L72-L111 HydrophobicContact CD1-CD1 3.47Å; L72-L111 VanDerWaalsContact CD1-CD1 3.47Å; L72-L111 HydrophobicContact CD1-CG 4.27Å; Q106-L111 HydrophobicContact CB-CD2 3.65Å; L111-F356 HydrophobicContact CD1-CD1 3.94Å; L111-F356 HydrophobicContact CD1-CE1 3.89Å; L111-F356 HydrophobicContact CD2-CD1 4.18Å; L111-F356 HydrophobicContact CD2-CG 4.34Å; L111-Y359 HydrophobicContact CB-CE1 3.88Å; L111-Y359 HydrophobicContact CD1-CD2 4.3Å; L111-Y359 HydrophobicContact CD1-CE2 3.77Å; L111-Y359 HydrophobicContact CD2-CD1 4.04Å; L111-Y359 HydrophobicContact CD2-CD2 4.33Å; L111-Y359 HydrophobicContact CD2-CE1 4.07Å; L111-Y359 HydrophobicContact CD2-CE2 4.38Å; L111-Y359 HydrophobicContact CD2-CG 4.17Å; L111-Y359 HydrophobicContact CG-CE1 4.38Å; L111-Y359 HydrophobicContact CG-CE2 4.45Å
112	H	76.3	Confident	73.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.8	-176.6	-51.9	79	0	0	0	109.3	K65 A104 F105	K65-H112 WeakPolarHBondContact O-CA 3.15Å; A104-H112 VanDerWaalsContact CA-O 3.31Å; A104-H112 WeakPolarHBondContact CA-O 3.33Å; F105-H112 HydrophobicContact CD1-CB 4.05Å; F105-H112 HydrophobicContact CD2-CB 3.78Å; F105-H112 AromaticContact CD2-CG 3.76Å; F105-H112 AromaticContact CD2-ND1 3.58Å; F105-H112 HydrophobicContact CE1-CB 3.83Å; F105-H112 HydrophobicContact CE2-CB 3.53Å; F105-H112 AromaticContact CE2-CD2 3.78Å; F105-H112 AromaticContact CE2-CE1 3.99Å; F105-H112 AromaticContact CE2-CG 3.32Å; F105-H112 AromaticContact CE2-ND1 3.46Å; F105-H112 WeakPolarHBondContact CE2-ND1 3.22Å; F105-H112 HydrophobicContact CG-CB 4.03Å; F105-H112 HydrophobicContact CZ-CB 3.57Å; F105-H112 AromaticContact CZ-CG 3.75Å; F105-H112 PolarHBondContact N-O 3.27Å; F105-H112 PolarHBondContact O-N 2.93Å
113	L	76.6	Confident	74.4	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.4	172.4	-64.2	168.8	0	0	0	108.1	M64 K65 L67 E85 R86 L89 L101 A104 L115 Y359	M64-L113 CarbonylContact C-O 3.22Å; M64-L113 WeakPolarHBondContact CA-O 3.29Å; K65-L113 HydrophobicContact CB-CB 4.34Å; K65-L113 PolarHBondContact N-O 2.79Å; K65-L113 PolarHBondContact O-N 2.77Å; L67-L113 HydrophobicContact CD1-CD1 4.45Å; E85-L113 HydrophobicContact CB-CD1 4.45Å; E85-L113 HydrophobicContact CG-CD1 4.16Å; R86-L113 HydrophobicContact CB-CD2 4.01Å; R86-L113 HydrophobicContact CG-CD2 4.28Å; L89-L113 HydrophobicContact CD1-CD1 3.9Å; L89-L113 HydrophobicContact CD1-CD2 4.48Å; L101-L113 HydrophobicContact CD1-CB 4.02Å; L101-L113 HydrophobicContact CD1-CD2 3.76Å; L101-L113 HydrophobicContact CD1-CG 4.5Å; L101-L113 HydrophobicContact CD2-CD2 4.38Å; A104-L113 HydrophobicContact CB-CD2 3.79Å; L113-L115 HydrophobicContact CB-CD2 4.37Å; L113-Y359 WeakPolarHBondContact CD2-OH 3.42Å; L113-Y359 WeakPolarHBondContact CG-OH 3.32Å
114	I	82.6	Confident	74.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.3	-179.5	-51.8	-61.6	0	0	0	108.4	F33 Y62 M64 H102 Y103 F105	F33-I114 HydrophobicContact CD1-CD1 4.35Å; F33-I114 HydrophobicContact CD2-CD1 4.38Å; F33-I114 HydrophobicContact CE1-CD1 4.01Å; F33-I114 HydrophobicContact CE1-CG1 4.12Å; F33-I114 HydrophobicContact CE1-CG2 3.84Å; F33-I114 HydrophobicContact CE2-CD1 4.08Å; F33-I114 HydrophobicContact CE2-CG1 4.11Å; F33-I114 HydrophobicContact CZ-CB 4.45Å; F33-I114 HydrophobicContact CZ-CD1 3.88Å; F33-I114 HydrophobicContact CZ-CG1 3.68Å; F33-I114 HydrophobicContact CZ-CG2 4.08Å; Y62-I114 VanDerWaalsContact CB-CG2 3.48Å; Y62-I114 HydrophobicContact CD1-CG2 3.93Å; Y62-I114 HydrophobicContact CD2-CG2 4.01Å; Y62-I114 HydrophobicContact CG-CG2 3.56Å; M64-I114 HydrophobicContact CB-CD1 3.68Å; M64-I114 HydrophobicContact CE-CD1 3.78Å; M64-I114 HydrophobicContact CG-CD1 3.56Å; M64-I114 HydrophobicContact SD-CD1 4.48Å; H102-I114 PolarHBondContact N-O 3.41Å; Y103-I114 HydrophobicContact CD2-CB 3.87Å; Y103-I114 HydrophobicContact CD2-CG1 4.29Å; Y103-I114 HydrophobicContact CD2-CG2 3.76Å; Y103-I114 HydrophobicContact CE2-CG2 4.5Å; Y103-I114 HydrophobicContact CG-CB 4.35Å; Y103-I114 HydrophobicContact CG-CG1 4.45Å; Y103-I114 PolarHBondContact O-N 2.67Å; F105-I114 HydrophobicContact CD1-CG1 4.47Å; F105-I114 HydrophobicContact CE1-CD1 3.9Å; F105-I114 HydrophobicContact CE1-CG1 3.92Å
115	L	82	Confident	74.5	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	168.2	-170.8	-53.3	178.6	0	0	0	111	Y62 A63 K65 L89 V99 T100 L101 L113 Y117	Y62-L115 WeakPolarHBondContact CD1-O 3.37Å; A63-L115 HydrophobicContact CB-CB 4.36Å; A63-L115 PolarHBondContact N-O 3.23Å; A63-L115 PolarHBondContact O-N 2.68Å; K65-L115 HydrophobicContact CB-CD1 4.48Å; L89-L115 HydrophobicContact CD1-CD2 3.82Å; L89-L115 HydrophobicContact CD2-CD2 3.87Å; L89-L115 HydrophobicContact CG-CD2 4.49Å; V99-L115 HydrophobicContact CG2-CB 3.93Å; T100-L115 VanDerWaalsContact O-CA 3.29Å; T100-L115 WeakPolarHBondContact O-CA 3.47Å; L101-L115 HydrophobicContact CB-CD2 4.09Å; L101-L115 HydrophobicContact CD1-CD2 3.68Å; L113-L115 HydrophobicContact CB-CD2 4.37Å; L115-Y117 PolarHBondContact O-N 2.79Å
116	D	80.8	Confident	75	Confident	46 Å²	46	22.6 Å²	22.6	25%	0.246	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	137.3	170.6	-58.9	-45.8	0	0	0	111.6	A63 V99 T100 H102 V118	A63-D116 WeakPolarHBondContact CB-O 3.18Å; V99-D116 HydrophobicContact CG2-CB 4.02Å; T100-D116 WeakPolarHBondContact CA-OD2 3.42Å; T100-D116 WeakPolarHBondContact CB-OD2 3.11Å; T100-D116 PolarHBondContact N-OD2 2.95Å; T100-D116 PolarHBondContact O-N 2.95Å; T100-D116 PolarHBondContact OG1-OD2 3.03Å; H102-D116 IonicContact CD2-OD1 2.79Å; H102-D116 IonicContact CE1-OD1 3.08Å; H102-D116 IonicContact NE2-OD1 3.77Å; H102-D116 PolarHBondContact NE2-OD1 3.42Å; D116-V118 HydrophobicContact CB-CG2 4.14Å; D116-V118 PolarHBondContact O-N 2.84Å
117	Y	82.9	Confident	75.5	Confident	32 Å²	32	20.3 Å²	20.3	13%	0.125	11%	0.109	C	C	.	.			trans	-82	100.9	165	175.5	-127.3	0	0	0	110	L39 L49 L61 L115 S119 E325 D327 F331	L39-Y117 HydrophobicContact CD1-CD2 3.85Å; L39-Y117 HydrophobicContact CD1-CE2 3.82Å; L39-Y117 HydrophobicContact CD2-CE2 4.09Å; L49-Y117 HydrophobicContact CD1-CD1 3.79Å; L49-Y117 HydrophobicContact CD1-CD2 3.63Å; L49-Y117 HydrophobicContact CD1-CE1 3.98Å; L49-Y117 HydrophobicContact CD1-CE2 3.83Å; L49-Y117 HydrophobicContact CD1-CG 3.61Å; L49-Y117 HydrophobicContact CD2-CE1 4.45Å; L49-Y117 HydrophobicContact CD2-CE2 4.4Å; L61-Y117 HydrophobicContact CB-CD1 4.04Å; L61-Y117 HydrophobicContact CB-CG 4.5Å; L61-Y117 HydrophobicContact CD1-CD1 4.16Å; L61-Y117 HydrophobicContact CD1-CE1 4.31Å; L115-Y117 PolarHBondContact O-N 2.79Å; Y117-S119 PolarHBondContact O-N 3.41Å; Y117-S119 VanDerWaalsContact O-N 3.17Å; Y117-E325 WeakPolarHBondContact CE1-O 3.26Å; Y117-D327 PolarHBondContact OH-O 3.4Å; Y117-F331 HydrophobicContact CD2-CZ 4.41Å; Y117-F331 AromaticContact CE2-CE2 3.68Å; Y117-F331 HydrophobicContact CE2-CE2 3.68Å; Y117-F331 AromaticContact CE2-CZ 3.7Å; Y117-F331 HydrophobicContact CE2-CZ 3.7Å
118	V	82.3	Confident	75.6	Confident	10 Å²	10	23.8 Å²	23.8	6%	0.061	12%	0.117	C	C	.	.			trans	-87.1	83.1	-178.5	-175.1	0	0	0	0	109.7	D116 G120 G121 L168 L169 D170 V176 F331	D116-V118 HydrophobicContact CB-CG2 4.14Å; D116-V118 PolarHBondContact O-N 2.84Å; V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 2.91Å; V118-G121 PolarHBondContact O-N 2.68Å; V118-L168 HydrophobicContact CB-CB 4.08Å; V118-L168 HydrophobicContact CB-CD1 3.86Å; V118-L168 HydrophobicContact CG1-CB 3.52Å; V118-L168 HydrophobicContact CG1-CD1 4.26Å; V118-L168 HydrophobicContact CG2-CD1 4.33Å; V118-L169 VanDerWaalsContact CG1-C 3.44Å; V118-L169 WeakPolarHBondContact CG1-O 3.16Å; V118-D170 HydrophobicContact CG1-CB 4.31Å; V118-V176 HydrophobicContact CG1-CB 4.09Å; V118-V176 HydrophobicContact CG1-CG2 4Å; V118-V176 HydrophobicContact CG2-CB 4.08Å; V118-V176 HydrophobicContact CG2-CG1 4Å; V118-V176 HydrophobicContact CG2-CG2 4.21Å; V118-F331 VanDerWaalsContact O-CZ 3.27Å; V118-F331 WeakPolarHBondContact O-CZ 3.37Å
119	S	78.1	Confident	76.1	Confident	18 Å²	18	23 Å²	23	13%	0.126	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.2	-164.6	52.9	0	0	0	0	116.3	Y117 G121 I322	Y117-S119 PolarHBondContact O-N 3.41Å; Y117-S119 VanDerWaalsContact O-N 3.17Å; S119-G121 PolarHBondContact O-N 3.3Å; S119-I322 WeakPolarHBondContact OG-CD1 3.49Å
120	G	76	Confident	76.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.3	174.1	0	0	0	0	0	114.1	V118 H126 L169 N330	V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 2.91Å; G120-H126 PolarHBondContact O-NE2 3.22Å; G120-L169 CarbonylContact C-O 3.58Å; G120-L169 WeakPolarHBondContact CA-O 3.47Å; G120-L169 PolarHBondContact N-O 3.08Å; G120-N330 WeakPolarHBondContact O-CB 3.43Å
121	G	74.2	Confident	77.2	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.			trans	73.3	-165.9	167.5	0	0	0	0	0	115.4	V118 S119 L168 L169	V118-G121 PolarHBondContact O-N 2.68Å; S119-G121 PolarHBondContact O-N 3.3Å; G121-L168 CarbonylContact O-C 3.53Å; G121-L168 VanDerWaalsContact O-CA 3.22Å; G121-L168 WeakPolarHBondContact O-CA 3.42Å; G121-L169 PolarHBondContact N-O 3.43Å; G121-L169 PolarHBondContact O-N 2.94Å
122	E	75.3	Confident	77.9	Confident	22 Å²	22	36.6 Å²	36.6	10%	0.103	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-74.6	133.5	-172.5	-67.4	172.5	-139	0	0	112.8	F124 T125 H126 L168 N330	E122-F124 HydrophobicContact CB-CB 4.37Å; E122-F124 PolarHBondContact O-N 2.71Å; E122-T125 WeakPolarHBondContact O-CB 3.32Å; E122-T125 PolarHBondContact O-N 3.36Å; E122-H126 PolarHBondContact O-CD2 2.94Å; E122-H126 VanDerWaalsContact O-CD2 3.25Å; E122-H126 PolarHBondContact O-N 3.46Å; E122-L168 HydrophobicContact CB-CD2 4.32Å; E122-L168 HydrophobicContact CG-CD2 3.8Å; E122-N330 PolarHBondContact N-O 3.17Å
123	M	81.2	Confident	78.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-28	170.5	-177.2	54.7	129.5	0	0	111.9	H126 L127 F133 Y141 L164 V167 L169 L231	M123-H126 PolarHBondContact O-N 3.13Å; M123-H126 HydrophobicContact SD-CB 4.38Å; M123-L127 WeakPolarHBondContact O-CB 3.43Å; M123-L127 PolarHBondContact O-N 2.9Å; M123-F133 HydrophobicContact CE-CE1 4.47Å; M123-F133 HydrophobicContact CE-CE2 4.23Å; M123-F133 HydrophobicContact CE-CZ 4.01Å; M123-F133 HydrophobicContact SD-CE2 3.92Å; M123-F133 HydrophobicContact SD-CZ 3.67Å; M123-Y141 HydrophobicContact CE-CD1 4.13Å; M123-Y141 HydrophobicContact CE-CD2 3.45Å; M123-Y141 VanDerWaalsContact CE-CD2 3.45Å; M123-Y141 HydrophobicContact CE-CE1 4.3Å; M123-Y141 HydrophobicContact CE-CE2 3.64Å; M123-Y141 HydrophobicContact CE-CG 3.71Å; M123-L164 HydrophobicContact CG-CD2 4.07Å; M123-V167 HydrophobicContact CB-CB 3.9Å; M123-V167 HydrophobicContact CB-CG1 3.75Å; M123-V167 WeakPolarHBondContact CB-O 3.35Å; M123-V167 HydrophobicContact CG-CG1 4.13Å; M123-V167 PolarHBondContact N-O 2.92Å; M123-L169 HydrophobicContact CE-CD2 4.39Å; M123-L169 HydrophobicContact SD-CD1 4.29Å; M123-L169 HydrophobicContact SD-CD2 4.42Å; M123-L231 HydrophobicContact CE-CD1 4.14Å; M123-L231 HydrophobicContact CE-CD2 3.83Å; M123-L231 HydrophobicContact CG-CD2 3.9Å; M123-L231 HydrophobicContact SD-CD2 4.06Å
124	F	72.6	Confident	79.4	Confident	40 Å²	40	43.5 Å²	43.5	18%	0.175	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-45.4	168.1	173.7	-106.2	0	0	0	113	E122 H126 L127 Y128 L164 L727	E122-F124 HydrophobicContact CB-CB 4.37Å; E122-F124 PolarHBondContact O-N 2.71Å; F124-H126 VanDerWaalsContact C-N 3.32Å; F124-H126 PolarHBondContact O-N 3.3Å; F124-L127 PolarHBondContact O-N 3.44Å; F124-Y128 WeakPolarHBondContact O-CB 3.38Å; F124-Y128 PolarHBondContact O-N 3.28Å; F124-L164 HydrophobicContact CB-CB 3.9Å; F124-L164 HydrophobicContact CD2-CD1 4.5Å; F124-L164 PolarHBondContact N-O 3.38Å; F124-L727 HydrophobicContact CD1-CD1 3.85Å; F124-L727 HydrophobicContact CD2-CD1 3.97Å; F124-L727 HydrophobicContact CD2-CD2 3.84Å; F124-L727 HydrophobicContact CD2-CG 4.11Å; F124-L727 HydrophobicContact CE1-CD1 3.6Å; F124-L727 HydrophobicContact CE1-CG 4.19Å; F124-L727 HydrophobicContact CE2-CD1 3.74Å; F124-L727 HydrophobicContact CE2-CD2 3.59Å; F124-L727 HydrophobicContact CE2-CG 3.54Å; F124-L727 HydrophobicContact CG-CD1 4.04Å; F124-L727 HydrophobicContact CZ-CD1 3.55Å; F124-L727 HydrophobicContact CZ-CD2 4.19Å; F124-L727 HydrophobicContact CZ-CG 3.6Å
125	T	68.5	Low	80	Confident	18 Å²	18	46 Å²	46	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-45.3	178.1	-59.7	0	0	0	0	110.6	E122 Y128 Q129 N330	E122-T125 WeakPolarHBondContact O-CB 3.32Å; E122-T125 PolarHBondContact O-N 3.36Å; T125-Y128 PolarHBondContact O-N 3.41Å; T125-Q129 WeakPolarHBondContact O-CG 3.27Å; T125-Q129 PolarHBondContact O-N 3.15Å; T125-N330 WeakPolarHBondContact CB-O 3.36Å; T125-N330 WeakPolarHBondContact CG2-O 3.46Å; T125-N330 PolarHBondContact OG1-O 3.03Å
126	H	79.9	Confident	80.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-42.7	179.9	-66	-65	0	0	0	112.5	G120 E122 M123 F124 Y128 Q129 R130 F133 F318 N330	G120-H126 PolarHBondContact O-NE2 3.22Å; E122-H126 PolarHBondContact O-CD2 2.94Å; E122-H126 VanDerWaalsContact O-CD2 3.25Å; E122-H126 PolarHBondContact O-N 3.46Å; M123-H126 PolarHBondContact O-N 3.13Å; M123-H126 HydrophobicContact SD-CB 4.38Å; F124-H126 VanDerWaalsContact C-N 3.32Å; F124-H126 PolarHBondContact O-N 3.3Å; H126-Y128 VanDerWaalsContact C-N 3.31Å; H126-Y128 PolarHBondContact O-N 2.9Å; H126-Q129 PolarHBondContact O-N 3.48Å; H126-R130 VanDerWaalsContact O-CB 3.23Å; H126-R130 WeakPolarHBondContact O-CB 3.41Å; H126-R130 VanDerWaalsContact O-CG 3.28Å; H126-R130 WeakPolarHBondContact O-CG 3.42Å; H126-R130 PolarHBondContact O-N 3.05Å; H126-F133 HydrophobicContact CB-CZ 4.2Å; H126-F318 HydrophobicContact CB-CZ 3.82Å; H126-F318 AromaticContact CE1-CE2 4Å; H126-F318 AromaticContact CG-CZ 3.56Å; H126-F318 AromaticContact ND1-CE2 3.58Å; H126-F318 AromaticContact ND1-CZ 3.57Å; H126-N330 PolarHBondContact CE1-OD1 2.73Å
127	L	76.9	Confident	81.3	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-41.4	172.5	-177.1	62.1	0	0	0	111.4	M123 F124 R130 Q131 F133 L164 E230	M123-L127 WeakPolarHBondContact O-CB 3.43Å; M123-L127 PolarHBondContact O-N 2.9Å; F124-L127 PolarHBondContact O-N 3.44Å; L127-R130 PolarHBondContact O-N 2.76Å; L127-Q131 CarbonylContact O-C 3.35Å; L127-Q131 VanDerWaalsContact O-CA 3.24Å; L127-Q131 WeakPolarHBondContact O-CA 3.26Å; L127-Q131 PolarHBondContact O-N 3.1Å; L127-F133 HydrophobicContact CB-CE2 4.11Å; L127-F133 HydrophobicContact CD1-CD2 3.89Å; L127-F133 HydrophobicContact CD1-CE2 3.95Å; L127-L164 HydrophobicContact CD2-CD1 3.51Å; L127-L164 HydrophobicContact CD2-CD2 4.32Å; L127-E230 HydrophobicContact CD2-CB 4.28Å
128	Y	70.7	Confident	82	Confident	121 Å²	121	46 Å²	46	48%	0.475	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-41.5	178.7	179.4	-97.7	0	0	0	112.6	F124 T125 H126 R730	F124-Y128 WeakPolarHBondContact O-CB 3.38Å; F124-Y128 PolarHBondContact O-N 3.28Å; T125-Y128 PolarHBondContact O-N 3.41Å; H126-Y128 VanDerWaalsContact C-N 3.31Å; H126-Y128 PolarHBondContact O-N 2.9Å; Y128-R730 VanDerWaalsContact CZ-CZ 3.42Å; Y128-R730 PolarHBondContact OH-NH2 3.14Å
129	Q	75.4	Confident	82.7	Confident	115 Å²	115	49.2 Å²	49.2	54%	0.537	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-44.6	176.4	-69.3	178.3	16.4	0	0	112.1	T125 H126	T125-Q129 WeakPolarHBondContact O-CG 3.27Å; T125-Q129 PolarHBondContact O-N 3.15Å; H126-Q129 PolarHBondContact O-N 3.48Å
130	R	82.2	Confident	83.6	Confident	80 Å²	80	49.2 Å²	49.2	30%	0.302	23%	0.226	S	C	.	.	H	α-helix	trans	-84.3	-12.4	-174	-65.3	-176.4	52.1	162	-3.2	114.4	H126 L127 Y132 F133 E137 F318	H126-R130 VanDerWaalsContact O-CB 3.23Å; H126-R130 WeakPolarHBondContact O-CB 3.41Å; H126-R130 VanDerWaalsContact O-CG 3.28Å; H126-R130 WeakPolarHBondContact O-CG 3.42Å; H126-R130 PolarHBondContact O-N 3.05Å; L127-R130 PolarHBondContact O-N 2.76Å; R130-Y132 PolarHBondContact O-N 2.89Å; R130-F133 VanDerWaalsContact CZ-CD1 3.49Å; R130-F133 VanDerWaalsContact CZ-CE1 3.49Å; R130-E137 IonicContact CZ-OE1 3.66Å; R130-E137 IonicContact CZ-OE2 2.67Å; R130-E137 IonicContact NH1-OE1 2.66Å; R130-E137 PolarHBondContact NH1-OE1 2.8Å; R130-E137 IonicContact NH2-OE1 2.6Å; R130-E137 PolarHBondContact NH2-OE1 3.46Å; R130-E137 IonicContact NH2-OE2 3.97Å; R130-E137 PolarHBondContact NH2-OE2 2.87Å; R130-F318 VanDerWaalsContact NH1-CD1 3.29Å
131	Q	76.3	Confident	84.6	Confident	143 Å²	143	49.2 Å²	49.2	67%	0.668	23%	0.226	S	C	*	.	S	Bend	trans	64.3	-39.8	-170.2	-50.2	179.7	16.7	0	0	114.9	L127 G234	L127-Q131 CarbonylContact O-C 3.35Å; L127-Q131 VanDerWaalsContact O-CA 3.24Å; L127-Q131 WeakPolarHBondContact O-CA 3.26Å; L127-Q131 PolarHBondContact O-N 3.1Å; Q131-G234 WeakPolarHBondContact O-CA 3.32Å
132	Y	84.7	Confident	85.7	Confident	103 Å²	103	49.2 Å²	49.2	40%	0.404	23%	0.226	S	C	.	.			trans	-159.7	169.4	175.1	60.1	-96.4	0	0	0	111.9	R130	R130-Y132 PolarHBondContact O-N 2.89Å
133	F	90.5	Very high	86.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.221	C	C	.	.			trans	-110.6	154.4	169.4	-67.3	-91.1	0	0	0	110.9	M123 H126 L127 R130 E137 V138 Y141 L231 F318	M123-F133 HydrophobicContact CE-CE1 4.47Å; M123-F133 HydrophobicContact CE-CE2 4.23Å; M123-F133 HydrophobicContact CE-CZ 4.01Å; M123-F133 HydrophobicContact SD-CE2 3.92Å; M123-F133 HydrophobicContact SD-CZ 3.67Å; H126-F133 HydrophobicContact CB-CZ 4.2Å; L127-F133 HydrophobicContact CB-CE2 4.11Å; L127-F133 HydrophobicContact CD1-CD2 3.89Å; L127-F133 HydrophobicContact CD1-CE2 3.95Å; R130-F133 VanDerWaalsContact CZ-CD1 3.49Å; R130-F133 VanDerWaalsContact CZ-CE1 3.49Å; F133-E137 HydrophobicContact CB-CB 4.27Å; F133-E137 HydrophobicContact CD1-CB 4.27Å; F133-V138 HydrophobicContact CB-CG2 3.55Å; F133-Y141 HydrophobicContact CD1-CE2 4.24Å; F133-Y141 AromaticContact CE1-CE2 4Å; F133-Y141 HydrophobicContact CE1-CE2 4Å; F133-L231 HydrophobicContact CD2-CB 4.16Å; F133-L231 HydrophobicContact CD2-CD2 3.71Å; F133-L231 HydrophobicContact CD2-CG 4.48Å; F133-L231 HydrophobicContact CE2-CD2 3.7Å; F133-L231 PolarHBondContact N-O 3.36Å; F133-F318 HydrophobicContact CE1-CD1 4.12Å; F133-F318 AromaticContact CE1-CE1 3.65Å; F133-F318 HydrophobicContact CE1-CE1 3.65Å; F133-F318 HydrophobicContact CZ-CE1 4.12Å
134	K	94.4	Very high	87.5	Confident	145 Å²	145	48.1 Å²	48.1	63%	0.63	22%	0.221	S	C	*	.			trans	-78.8	154.4	172.7	-59.1	167.7	-177.4	173.2	0	109.8	A136 E137 V138	K134-A136 PolarHBondContact O-N 3.32Å; K134-A136 VanDerWaalsContact O-N 3.16Å; K134-E137 HydrophobicContact CB-CG 4.17Å; K134-E137 WeakPolarHBondContact CB-OE2 3.45Å; K134-E137 WeakPolarHBondContact CG-OE2 3.46Å; K134-E137 PolarHBondContact N-OE2 3.3Å; K134-E137 WeakPolarHBondContact O-CA 3.23Å; K134-E137 WeakPolarHBondContact O-CB 3.48Å; K134-E137 PolarHBondContact O-N 3.16Å; K134-V138 PolarHBondContact O-N 2.84Å
135	E	94.9	Very high	88.6	Confident	53 Å²	53	46.2 Å²	46.2	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-55.1	-36.3	-179.7	-74.8	-177.4	-156.9	0	0	114.1	E137 V138 R139 L232 G266 A269 F300	E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.03Å; E135-V138 PolarHBondContact O-N 2.83Å; E135-R139 WeakPolarHBondContact O-CB 3.25Å; E135-R139 PolarHBondContact O-N 3.22Å; E135-L232 HydrophobicContact CB-CD2 4.45Å; E135-L232 HydrophobicContact CG-CD2 3.63Å; E135-G266 WeakPolarHBondContact OE1-CA 3.44Å; E135-G266 PolarHBondContact OE1-N 2.73Å; E135-A269 HydrophobicContact CG-CB 4.13Å; E135-F300 HydrophobicContact CB-CE2 3.98Å; E135-F300 HydrophobicContact CB-CZ 4.42Å; E135-F300 HydrophobicContact CG-CE2 4.08Å; E135-F300 WeakPolarHBondContact O-CZ 3.44Å
136	A	94.9	Very high	90	Very high	62 Å²	62	45.4 Å²	45.4	51%	0.512	21%	0.207	S	C	.	.	H	α-helix	trans	-64.7	-31.6	175.5	0	0	0	0	0	113.3	K134	K134-A136 PolarHBondContact O-N 3.32Å; K134-A136 VanDerWaalsContact O-N 3.16Å
137	E	95.9	Very high	90.7	Very high	23 Å²	23	46.1 Å²	46.1	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-77.7	-43.2	176.9	-52.9	178.5	91.3	0	0	110.2	R130 F133 K134 E135 R139 V140 Y141 P317	R130-E137 IonicContact CZ-OE1 3.66Å; R130-E137 IonicContact CZ-OE2 2.67Å; R130-E137 IonicContact NH1-OE1 2.66Å; R130-E137 PolarHBondContact NH1-OE1 2.8Å; R130-E137 IonicContact NH2-OE1 2.6Å; R130-E137 PolarHBondContact NH2-OE1 3.46Å; R130-E137 IonicContact NH2-OE2 3.97Å; R130-E137 PolarHBondContact NH2-OE2 2.87Å; F133-E137 HydrophobicContact CB-CB 4.27Å; F133-E137 HydrophobicContact CD1-CB 4.27Å; K134-E137 HydrophobicContact CB-CG 4.17Å; K134-E137 WeakPolarHBondContact CB-OE2 3.45Å; K134-E137 WeakPolarHBondContact CG-OE2 3.46Å; K134-E137 PolarHBondContact N-OE2 3.3Å; K134-E137 WeakPolarHBondContact O-CA 3.23Å; K134-E137 WeakPolarHBondContact O-CB 3.48Å; K134-E137 PolarHBondContact O-N 3.16Å; E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.03Å; E137-R139 PolarHBondContact O-N 2.78Å; E137-V140 PolarHBondContact O-N 2.69Å; E137-Y141 WeakPolarHBondContact O-CD2 3.26Å; E137-Y141 PolarHBondContact O-N 3.09Å; E137-P317 HydrophobicContact CB-CB 3.71Å; E137-P317 HydrophobicContact CB-CG 4.04Å; E137-P317 HydrophobicContact CG-CB 3.89Å
138	V	96.4	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-26.7	175.6	179.7	0	0	0	0	111.9	F133 K134 E135 G142 L228 L231 L232 F300	F133-V138 HydrophobicContact CB-CG2 3.55Å; K134-V138 PolarHBondContact O-N 2.84Å; E135-V138 PolarHBondContact O-N 2.83Å; V138-G142 WeakPolarHBondContact O-CA 3.19Å; V138-G142 PolarHBondContact O-N 3.22Å; V138-L228 HydrophobicContact CG1-CB 4.34Å; V138-L228 HydrophobicContact CG1-CD2 3.62Å; V138-L231 HydrophobicContact CG2-CB 3.85Å; V138-L232 HydrophobicContact CB-CD2 4.06Å; V138-L232 HydrophobicContact CB-CG 4.36Å; V138-L232 HydrophobicContact CG1-CD1 4.39Å; V138-L232 HydrophobicContact CG1-CD2 4.28Å; V138-L232 HydrophobicContact CG1-CG 4.07Å; V138-L232 HydrophobicContact CG2-CD2 3.76Å; V138-L232 HydrophobicContact CG2-CG 4.03Å; V138-F300 HydrophobicContact CB-CZ 4.3Å; V138-F300 HydrophobicContact CG1-CE1 4.44Å; V138-F300 HydrophobicContact CG1-CZ 4.17Å
139	R	97.3	Very high	92.4	Very high	76 Å²	76	39.9 Å²	39.9	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-46.2	170.1	178.5	-177.3	-63.3	146.6	3.9	112.1	E135 E137 G143 F300 F301 L304	E135-R139 WeakPolarHBondContact O-CB 3.25Å; E135-R139 PolarHBondContact O-N 3.22Å; E137-R139 PolarHBondContact O-N 2.78Å; R139-G143 PolarHBondContact O-N 3.47Å; R139-F300 HydrophobicContact CB-CE1 4.08Å; R139-F300 HydrophobicContact CB-CZ 4.32Å; R139-F300 PolarHBondContact NE-O 3.15Å; R139-F300 PolarHBondContact NH2-O 2.84Å; R139-F301 HydrophobicContact CG-CD1 4.03Å; R139-F301 WeakPolarHBondContact O-CE1 3.45Å; R139-L304 HydrophobicContact CG-CB 4.47Å; R139-L304 HydrophobicContact CG-CD2 4.21Å
140	V	97.3	Very high	93.2	Very high	18 Å²	18	35.2 Å²	35.2	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-54.1	178.5	-177.3	0	0	0	0	109.7	E137 G142 G143 E144 L309 P317	E137-V140 PolarHBondContact O-N 2.69Å; V140-G142 PolarHBondContact O-N 3.43Å; V140-G143 CarbonylContact O-C 3.19Å; V140-G143 WeakPolarHBondContact O-CA 3.34Å; V140-G143 PolarHBondContact O-N 3.28Å; V140-E144 WeakPolarHBondContact O-CG 3.42Å; V140-E144 PolarHBondContact O-N 2.62Å; V140-L309 HydrophobicContact CG1-CD1 3.85Å; V140-P317 HydrophobicContact CB-CG 3.8Å; V140-P317 HydrophobicContact CG1-CG 4.18Å; V140-P317 HydrophobicContact CG2-CG 4.3Å
141	Y	96.6	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-40	-179.4	-72.4	-45.2	0	0	0	113.7	M123 F133 E137 G143 E144 I145 L169 G173 I175 P317 F318	M123-Y141 HydrophobicContact CE-CD1 4.13Å; M123-Y141 HydrophobicContact CE-CD2 3.45Å; M123-Y141 VanDerWaalsContact CE-CD2 3.45Å; M123-Y141 HydrophobicContact CE-CE1 4.3Å; M123-Y141 HydrophobicContact CE-CE2 3.64Å; M123-Y141 HydrophobicContact CE-CG 3.71Å; F133-Y141 HydrophobicContact CD1-CE2 4.24Å; F133-Y141 AromaticContact CE1-CE2 4Å; F133-Y141 HydrophobicContact CE1-CE2 4Å; E137-Y141 WeakPolarHBondContact O-CD2 3.26Å; E137-Y141 PolarHBondContact O-N 3.09Å; Y141-G143 VanDerWaalsContact C-N 3.28Å; Y141-G143 PolarHBondContact O-N 2.98Å; Y141-E144 PolarHBondContact O-N 2.84Å; Y141-I145 VanDerWaalsContact O-CG1 3.32Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 2.87Å; Y141-L169 HydrophobicContact CE1-CD2 3.88Å; Y141-G173 VanDerWaalsContact CE1-O 3.29Å; Y141-G173 WeakPolarHBondContact CE1-O 3.28Å; Y141-G173 PolarHBondContact OH-O 3.08Å; Y141-I175 HydrophobicContact CD1-CD1 3.49Å; Y141-I175 VanDerWaalsContact CD1-CD1 3.49Å; Y141-I175 HydrophobicContact CD1-CG1 3.69Å; Y141-I175 HydrophobicContact CE1-CD1 4.39Å; Y141-I175 HydrophobicContact CE1-CG1 4.15Å; Y141-I175 HydrophobicContact CG-CD1 3.95Å; Y141-P317 HydrophobicContact CD1-CG 4.48Å; Y141-P317 HydrophobicContact CD2-CB 4.4Å; Y141-P317 HydrophobicContact CD2-CG 3.86Å; Y141-P317 HydrophobicContact CE1-CG 4.19Å; Y141-P317 HydrophobicContact CE2-CB 3.69Å; Y141-P317 HydrophobicContact CE2-CG 3.52Å; Y141-P317 HydrophobicContact CG-CG 4.33Å; Y141-F318 HydrophobicContact CE2-CD1 4.34Å; Y141-F318 HydrophobicContact CE2-CE1 4.17Å; Y141-F318 WeakPolarHBondContact OH-CD1 3.42Å; Y141-F318 WeakPolarHBondContact OH-CE1 3.33Å
142	G	97.3	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-34.9	171.5	0	0	0	0	0	112.4	V138 V140 V146	V138-G142 WeakPolarHBondContact O-CA 3.19Å; V138-G142 PolarHBondContact O-N 3.22Å; V140-G142 PolarHBondContact O-N 3.43Å; G142-V146 WeakPolarHBondContact O-CB 3.23Å; G142-V146 WeakPolarHBondContact O-CG2 3.43Å; G142-V146 PolarHBondContact O-N 3Å
143	G	97.5	Very high	93.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-46	173.4	0	0	0	0	0	112.9	R139 V140 Y141 I145 V146 L147 W306	R139-G143 PolarHBondContact O-N 3.47Å; V140-G143 CarbonylContact O-C 3.19Å; V140-G143 WeakPolarHBondContact O-CA 3.34Å; V140-G143 PolarHBondContact O-N 3.28Å; Y141-G143 VanDerWaalsContact C-N 3.28Å; Y141-G143 PolarHBondContact O-N 2.98Å; G143-I145 PolarHBondContact O-N 2.96Å; G143-V146 PolarHBondContact O-N 3.32Å; G143-V146 VanDerWaalsContact O-N 3.17Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 2.83Å; G143-W306 WeakPolarHBondContact O-CZ3 3.43Å
144	E	97.1	Very high	93	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-45.5	177.2	-64.5	179.7	171.3	0	0	111.4	F97 V140 Y141 V146 L147 A148 H174 I175 L309	F97-E144 HydrophobicContact CD1-CB 3.86Å; F97-E144 HydrophobicContact CD1-CG 3.9Å; F97-E144 HydrophobicContact CD2-CB 4.37Å; F97-E144 HydrophobicContact CE1-CB 4.01Å; F97-E144 HydrophobicContact CE1-CG 3.52Å; F97-E144 HydrophobicContact CE2-CG 4.36Å; F97-E144 HydrophobicContact CG-CB 4.07Å; F97-E144 HydrophobicContact CG-CG 4.48Å; F97-E144 HydrophobicContact CZ-CB 4.33Å; F97-E144 HydrophobicContact CZ-CG 3.79Å; V140-E144 WeakPolarHBondContact O-CG 3.42Å; V140-E144 PolarHBondContact O-N 2.62Å; Y141-E144 PolarHBondContact O-N 2.84Å; E144-V146 VanDerWaalsContact C-N 3.34Å; E144-V146 PolarHBondContact O-N 3.38Å; E144-L147 WeakPolarHBondContact O-CB 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.48Å; E144-H174 IonicContact OE1-CE1 2.66Å; E144-H174 IonicContact OE1-CG 3.22Å; E144-H174 IonicContact OE1-ND1 3.56Å; E144-H174 PolarHBondContact OE1-ND1 3.5Å; E144-I175 HydrophobicContact CB-CB 4.21Å; E144-I175 WeakPolarHBondContact OE2-CB 3.45Å; E144-I175 PolarHBondContact OE2-N 2.91Å; E144-L309 HydrophobicContact CG-CD1 3.91Å; E144-L309 HydrophobicContact CG-CD2 4.24Å; E144-L309 HydrophobicContact CG-CG 4.19Å
145	I	96.5	Very high	92	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-37.4	175.1	-59.9	166.2	0	0	0	111.1	Y141 G143 A148 L149 L162 V167 I175 L224 L227	Y141-I145 VanDerWaalsContact O-CG1 3.32Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 2.87Å; G143-I145 PolarHBondContact O-N 2.96Å; I145-A148 PolarHBondContact O-N 2.85Å; I145-L149 HydrophobicContact CG2-CD1 3.99Å; I145-L149 HydrophobicContact CG2-CG 4.11Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 3.44Å; I145-L162 HydrophobicContact CG2-CD1 4.08Å; I145-L162 HydrophobicContact CG2-CD2 3.79Å; I145-V167 HydrophobicContact CD1-CG2 4.48Å; I145-I175 HydrophobicContact CD1-CD1 3.82Å; I145-I175 HydrophobicContact CG1-CD1 3.69Å; I145-I175 HydrophobicContact CG1-CG2 4.25Å; I145-L224 HydrophobicContact CB-CD1 4.12Å; I145-L224 HydrophobicContact CD1-CD1 4.48Å; I145-L224 HydrophobicContact CG2-CD1 3.77Å; I145-L227 HydrophobicContact CD1-CD2 3.65Å
146	V	97.1	Very high	90.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-33.8	175.4	165.7	0	0	0	0	112.2	G142 G143 E144 E150 W221 L224 A292 V295 R296 W306	G142-V146 WeakPolarHBondContact O-CB 3.23Å; G142-V146 WeakPolarHBondContact O-CG2 3.43Å; G142-V146 PolarHBondContact O-N 3Å; G143-V146 PolarHBondContact O-N 3.32Å; G143-V146 VanDerWaalsContact O-N 3.17Å; E144-V146 VanDerWaalsContact C-N 3.34Å; E144-V146 PolarHBondContact O-N 3.38Å; V146-E150 WeakPolarHBondContact O-CB 3.28Å; V146-E150 PolarHBondContact O-N 3.5Å; V146-W221 HydrophobicContact CG2-CZ3 4.1Å; V146-L224 HydrophobicContact CG2-CD2 3.61Å; V146-A292 HydrophobicContact CG1-CB 4.47Å; V146-V295 HydrophobicContact CG2-CB 4.43Å; V146-V295 HydrophobicContact CG2-CG1 3.71Å; V146-R296 HydrophobicContact CG1-CG 3.84Å; V146-W306 HydrophobicContact CB-CH2 4.23Å; V146-W306 HydrophobicContact CB-CZ3 4.05Å; V146-W306 HydrophobicContact CG1-CH2 3.97Å; V146-W306 HydrophobicContact CG1-CZ3 3.82Å
147	L	94.8	Very high	89.9	Confident	20 Å²	20	19.2 Å²	19.2	11%	0.105	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-48.4	171.6	-70	171.4	0	0	0	111	F97 G143 E144 E150 H151 R296 W306 L309 A310	F97-L147 HydrophobicContact CD2-CB 4.22Å; F97-L147 HydrophobicContact CD2-CD1 4.36Å; F97-L147 HydrophobicContact CE2-CB 4.36Å; F97-L147 HydrophobicContact CE2-CD1 3.68Å; F97-L147 HydrophobicContact CZ-CD1 4.49Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 2.83Å; E144-L147 WeakPolarHBondContact O-CB 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; L147-E150 PolarHBondContact O-N 2.96Å; L147-H151 PolarHBondContact O-N 3.01Å; L147-R296 VanDerWaalsContact CD2-NH2 3.33Å; L147-W306 HydrophobicContact CD2-CE3 4.01Å; L147-W306 HydrophobicContact CG-CE3 4.12Å; L147-W306 HydrophobicContact CG-CZ3 4.38Å; L147-L309 HydrophobicContact CD1-CB 4.02Å; L147-L309 HydrophobicContact CD1-CD2 3.78Å; L147-L309 HydrophobicContact CD1-CG 3.74Å; L147-A310 HydrophobicContact CD1-CB 4.03Å; L147-A310 HydrophobicContact CD2-CB 4.32Å
148	A	91.8	Very high	89	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-49.2	177.6	0	0	0	0	0	112.6	F97 L98 E144 I145 H151 L152 L177	F97-A148 HydrophobicContact CB-CB 4.22Å; L98-A148 HydrophobicContact CD2-CB 3.74Å; L98-A148 HydrophobicContact CG-CB 4.4Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.48Å; I145-A148 PolarHBondContact O-N 2.85Å; A148-H151 PolarHBondContact O-N 3.25Å; A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 3.46Å; A148-L152 VanDerWaalsContact O-N 3.14Å; A148-L177 HydrophobicContact CB-CD1 3.63Å; A148-L177 HydrophobicContact CB-CG 4.08Å
149	L	92.1	Very high	88.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.6	-40.8	176.3	-72.3	-179.9	0	0	0	112.1	I145 H151 L152 H153 Y159 L162 D220 W221	I145-L149 HydrophobicContact CG2-CD1 3.99Å; I145-L149 HydrophobicContact CG2-CG 4.11Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 3.44Å; L149-H151 VanDerWaalsContact C-N 3.3Å; L149-H151 PolarHBondContact O-N 2.91Å; L149-L152 PolarHBondContact O-N 3.27Å; L149-H153 VanDerWaalsContact O-CB 3.24Å; L149-H153 WeakPolarHBondContact O-CB 3.46Å; L149-H153 PolarHBondContact O-CD2 2.82Å; L149-H153 VanDerWaalsContact O-CD2 3.28Å; L149-H153 PolarHBondContact O-N 3.28Å; L149-Y159 HydrophobicContact CD2-CD1 4.27Å; L149-Y159 HydrophobicContact CD2-CG 4.46Å; L149-L162 HydrophobicContact CD1-CD2 4.09Å; L149-D220 HydrophobicContact CD1-CB 4.15Å; L149-D220 HydrophobicContact CD2-CB 3.93Å; L149-W221 HydrophobicContact CB-CH2 3.82Å; L149-W221 HydrophobicContact CB-CZ3 3.89Å; L149-W221 HydrophobicContact CD1-CE3 3.88Å; L149-W221 HydrophobicContact CD1-CH2 4.33Å; L149-W221 HydrophobicContact CD1-CZ3 3.6Å; L149-W221 HydrophobicContact CG-CZ3 4.43Å
150	E	92.4	Very high	87.2	Confident	17 Å²	17	15.4 Å²	15.4	8%	0.079	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-40.1	175.4	-165	-162.7	-153.4	0	0	111.1	V146 L147 H153 K154 A292 R296 R711	V146-E150 WeakPolarHBondContact O-CB 3.28Å; V146-E150 PolarHBondContact O-N 3.5Å; L147-E150 PolarHBondContact O-N 2.96Å; E150-H153 PolarHBondContact O-N 3.24Å; E150-K154 HydrophobicContact CG-CD 3.98Å; E150-K154 HydrophobicContact CG-CG 4.25Å; E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 VanDerWaalsContact O-CG 3.28Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 3.31Å; E150-K154 VanDerWaalsContact OE1-CE 3.27Å; E150-K154 WeakPolarHBondContact OE1-CE 3.46Å; E150-K154 IonicContact OE1-NZ 3.13Å; E150-K154 PolarHBondContact OE1-NZ 3.14Å; E150-K154 WeakPolarHBondContact OE2-CE 3.42Å; E150-K154 IonicContact OE2-NZ 3.66Å; E150-K154 PolarHBondContact OE2-NZ 3.36Å; E150-A292 HydrophobicContact CB-CB 3.68Å; E150-A292 HydrophobicContact CG-CB 3.62Å; E150-R296 IonicContact OE1-NH1 3.77Å; E150-R296 PolarHBondContact OE1-NH1 2.96Å; E150-R296 IonicContact OE2-CZ 2.83Å; E150-R296 VanDerWaalsContact OE2-CZ 3.25Å; E150-R296 IonicContact OE2-NH1 3.63Å; E150-R296 PolarHBondContact OE2-NH1 2.97Å; E150-R296 IonicContact OE2-NH2 2.66Å; E150-R296 PolarHBondContact OE2-NH2 3.35Å; E150-R711 IonicContact OE1-NH2 3.97Å; E150-R711 PolarHBondContact OE1-NH2 3.02Å
151	H	84.6	Confident	86	Confident	59 Å²	59	15.3 Å²	15.3	27%	0.273	8%	0.078	S	C	.	.	H	α-helix	trans	-60.9	-49.2	177.8	-171.2	97.6	0	0	0	111.6	L147 A148 L149 H153 K154 L155	L147-H151 PolarHBondContact O-N 3.01Å; A148-H151 PolarHBondContact O-N 3.25Å; L149-H151 VanDerWaalsContact C-N 3.3Å; L149-H151 PolarHBondContact O-N 2.91Å; H151-H153 PolarHBondContact O-N 3Å; H151-K154 WeakPolarHBondContact O-CB 3.48Å; H151-K154 PolarHBondContact O-N 3.5Å; H151-L155 WeakPolarHBondContact NE2-CD1 3.39Å; H151-L155 PolarHBondContact O-N 2.71Å; H151-L155 VanDerWaalsContact O-N 3.13Å
152	L	81.3	Confident	85.4	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.3	-47.5	174.9	-65.7	172.1	0	0	0	111.3	V92 L98 A148 L149 K154 L155 G156 I157 Y159 F180	V92-L152 HydrophobicContact CG1-CD2 3.62Å; L98-L152 HydrophobicContact CD1-CD1 4.47Å; L98-L152 HydrophobicContact CD1-CD2 3.74Å; L98-L152 HydrophobicContact CD1-CG 3.88Å; L98-L152 HydrophobicContact CD2-CD1 4.16Å; L98-L152 HydrophobicContact CD2-CG 4.41Å; A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 3.46Å; A148-L152 VanDerWaalsContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.27Å; L152-K154 VanDerWaalsContact C-N 3.29Å; L152-K154 PolarHBondContact O-N 3.01Å; L152-L155 CarbonylContact O-C 3.5Å; L152-L155 PolarHBondContact O-N 3.16Å; L152-L155 VanDerWaalsContact O-N 3.09Å; L152-G156 PolarHBondContact O-N 3.12Å; L152-I157 CarbonylContact C-O 3.54Å; L152-I157 HydrophobicContact CB-CB 4.35Å; L152-I157 HydrophobicContact CD2-CB 4.38Å; L152-I157 HydrophobicContact CD2-CD1 4.47Å; L152-I157 HydrophobicContact CD2-CG2 4.18Å; L152-I157 WeakPolarHBondContact O-CA 3.39Å; L152-I157 PolarHBondContact O-N 3.22Å; L152-Y159 HydrophobicContact CD1-CD2 3.9Å; L152-Y159 HydrophobicContact CD1-CG 3.98Å; L152-F180 HydrophobicContact CD1-CE1 4.07Å; L152-F180 HydrophobicContact CD2-CE1 3.89Å
153	H	82.9	Confident	84.4	Confident	14 Å²	14	16.5 Å²	16.5	7%	0.065	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-28.4	-178.7	-73	-167.3	0	0	0	113	L149 E150 H151 G156 I157 K217 D220 W221	L149-H153 VanDerWaalsContact O-CB 3.24Å; L149-H153 WeakPolarHBondContact O-CB 3.46Å; L149-H153 PolarHBondContact O-CD2 2.82Å; L149-H153 VanDerWaalsContact O-CD2 3.28Å; L149-H153 PolarHBondContact O-N 3.28Å; E150-H153 PolarHBondContact O-N 3.24Å; H151-H153 PolarHBondContact O-N 3Å; H153-G156 PolarHBondContact O-N 2.93Å; H153-I157 PolarHBondContact CD2-O 2.96Å; H153-I157 PolarHBondContact N-O 3.21Å; H153-K217 HydrophobicContact CB-CD 4.02Å; H153-K217 WeakPolarHBondContact O-CE 3.42Å; H153-K217 PolarHBondContact O-NZ 3.18Å; H153-D220 IonicContact CD2-OD2 3.74Å; H153-D220 IonicContact CE1-OD2 2.76Å; H153-D220 IonicContact NE2-OD2 3.2Å; H153-D220 PolarHBondContact NE2-OD2 3.05Å; H153-W221 AromaticContact CE1-CE2 3.86Å; H153-W221 AromaticContact CE1-CZ2 3.81Å; H153-W221 AromaticContact ND1-CE2 3.93Å; H153-W221 AromaticContact ND1-CZ2 3.56Å
154	K	80.6	Confident	83.3	Confident	85 Å²	85	16.6 Å²	16.6	37%	0.37	8%	0.084	S	C	.	.	H	α-helix	trans	-68.6	-40.3	170.7	-82	166.4	166.5	168.7	0	111.4	E150 H151 L152 G156 M707	E150-K154 HydrophobicContact CG-CD 3.98Å; E150-K154 HydrophobicContact CG-CG 4.25Å; E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 VanDerWaalsContact O-CG 3.28Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 3.31Å; E150-K154 VanDerWaalsContact OE1-CE 3.27Å; E150-K154 WeakPolarHBondContact OE1-CE 3.46Å; E150-K154 IonicContact OE1-NZ 3.13Å; E150-K154 PolarHBondContact OE1-NZ 3.14Å; E150-K154 WeakPolarHBondContact OE2-CE 3.42Å; E150-K154 IonicContact OE2-NZ 3.66Å; E150-K154 PolarHBondContact OE2-NZ 3.36Å; H151-K154 WeakPolarHBondContact O-CB 3.48Å; H151-K154 PolarHBondContact O-N 3.5Å; L152-K154 VanDerWaalsContact C-N 3.29Å; L152-K154 PolarHBondContact O-N 3.01Å; K154-G156 PolarHBondContact O-N 3.44Å; K154-M707 PolarHBondContact NZ-SD 3.14Å; K154-M707 VanDerWaalsContact NZ-SD 3.37Å
155	L	71.9	Confident	82.1	Confident	69 Å²	69	18.1 Å²	18.1	36%	0.361	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	6.3	173.9	-65.1	179.2	0	0	0	114.3	L91 V92 H151 L152 I157	L91-L155 HydrophobicContact CB-CD1 4.36Å; V92-L155 HydrophobicContact CG1-CD1 3.97Å; H151-L155 WeakPolarHBondContact NE2-CD1 3.39Å; H151-L155 PolarHBondContact O-N 2.71Å; H151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 CarbonylContact O-C 3.5Å; L152-L155 PolarHBondContact O-N 3.16Å; L152-L155 VanDerWaalsContact O-N 3.09Å; L155-I157 HydrophobicContact CB-CD1 3.79Å; L155-I157 HydrophobicContact CB-CG1 4.04Å; L155-I157 HydrophobicContact CD1-CD1 4.06Å; L155-I157 PolarHBondContact O-N 2.97Å
156	G	72.7	Confident	81.3	Confident	21 Å²	21	18.6 Å²	18.6	22%	0.216	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	4	-175.5	0	0	0	0	0	114.5	L152 H153 K154	L152-G156 PolarHBondContact O-N 3.12Å; H153-G156 PolarHBondContact O-N 2.93Å; K154-G156 PolarHBondContact O-N 3.44Å
157	I	73.6	Confident	80.7	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.093	C	C	.	.			trans	-87.5	129.6	-178.4	-55.9	165.3	0	0	0	108.7	V88 V92 L152 H153 L155 K184 E185	V88-I157 HydrophobicContact CG1-CD1 4.23Å; V88-I157 HydrophobicContact CG1-CG2 4.38Å; V92-I157 HydrophobicContact CG1-CD1 4.32Å; L152-I157 CarbonylContact C-O 3.54Å; L152-I157 HydrophobicContact CB-CB 4.35Å; L152-I157 HydrophobicContact CD2-CB 4.38Å; L152-I157 HydrophobicContact CD2-CD1 4.47Å; L152-I157 HydrophobicContact CD2-CG2 4.18Å; L152-I157 WeakPolarHBondContact O-CA 3.39Å; L152-I157 PolarHBondContact O-N 3.22Å; H153-I157 PolarHBondContact CD2-O 2.96Å; H153-I157 PolarHBondContact N-O 3.21Å; L155-I157 HydrophobicContact CB-CD1 3.79Å; L155-I157 HydrophobicContact CB-CG1 4.04Å; L155-I157 HydrophobicContact CD1-CD1 4.06Å; L155-I157 PolarHBondContact O-N 2.97Å; I157-K184 WeakPolarHBondContact CA-O 3.35Å; I157-E185 HydrophobicContact CG1-CB 4.29Å; I157-E185 HydrophobicContact CG1-CG 4.4Å
158	I	76.9	Confident	80.2	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-103.6	133.7	169.6	-44.7	-177.3	0	0	0	107.6	R160 S183 K184 F186 K217 V219 D220 F717	I158-R160 HydrophobicContact CB-CG 3.9Å; I158-R160 HydrophobicContact CG2-CG 3.56Å; I158-S183 CarbonylContact O-C 3.55Å; I158-S183 VanDerWaalsContact O-CA 3.27Å; I158-S183 WeakPolarHBondContact O-CA 3.44Å; I158-S183 WeakPolarHBondContact O-CB 3.27Å; I158-K184 PolarHBondContact N-O 3.32Å; I158-K184 PolarHBondContact O-N 3.06Å; I158-F186 HydrophobicContact CD1-CD2 3.84Å; I158-F186 HydrophobicContact CD1-CE2 3.93Å; I158-F186 HydrophobicContact CG1-CD2 4.44Å; I158-K217 HydrophobicContact CD1-CG 4.07Å; I158-K217 HydrophobicContact CG1-CG 4.09Å; I158-V219 HydrophobicContact CG2-CG2 4.1Å; I158-D220 WeakPolarHBondContact CG2-OD2 3.39Å; I158-F717 HydrophobicContact CB-CE1 4.27Å; I158-F717 HydrophobicContact CB-CZ 4.46Å; I158-F717 HydrophobicContact CD1-CD1 4.2Å; I158-F717 HydrophobicContact CD1-CD2 3.84Å; I158-F717 HydrophobicContact CD1-CE1 3.94Å; I158-F717 HydrophobicContact CD1-CE2 3.4Å; I158-F717 VanDerWaalsContact CD1-CE2 3.4Å; I158-F717 HydrophobicContact CD1-CG 4.18Å; I158-F717 HydrophobicContact CD1-CZ 3.5Å; I158-F717 HydrophobicContact CG2-CE1 3.86Å; I158-F717 HydrophobicContact CG2-CZ 3.85Å
159	Y	80.2	Confident	79.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.			trans	-82	-47.9	-167.7	-178.4	-123.3	0	0	0	113.1	L149 L152 D161 L162 N166 L177 T178 F180 S183 D220	L149-Y159 HydrophobicContact CD2-CD1 4.27Å; L149-Y159 HydrophobicContact CD2-CG 4.46Å; L152-Y159 HydrophobicContact CD1-CD2 3.9Å; L152-Y159 HydrophobicContact CD1-CG 3.98Å; Y159-D161 VanDerWaalsContact C-N 3.25Å; Y159-D161 PolarHBondContact O-N 3.49Å; Y159-D161 VanDerWaalsContact O-N 3.15Å; Y159-L162 HydrophobicContact CD1-CB 3.89Å; Y159-L162 HydrophobicContact CE1-CB 3.93Å; Y159-L162 HydrophobicContact CE1-CD1 4.14Å; Y159-N166 WeakPolarHBondContact OH-CB 3.43Å; Y159-L177 HydrophobicContact CE1-CD1 4.3Å; Y159-T178 PolarHBondContact OH-O 3.43Å; Y159-F180 AromaticContact CD2-CD1 3.85Å; Y159-F180 HydrophobicContact CD2-CD1 3.85Å; Y159-F180 AromaticContact CD2-CE1 3.96Å; Y159-F180 HydrophobicContact CD2-CE1 3.96Å; Y159-F180 AromaticContact CE2-CD1 3.83Å; Y159-F180 HydrophobicContact CE2-CD1 3.83Å; Y159-F180 AromaticContact CE2-CE1 3.92Å; Y159-F180 HydrophobicContact CE2-CE1 3.92Å; Y159-S183 WeakPolarHBondContact CD2-OG 3.48Å; Y159-S183 WeakPolarHBondContact O-CA 3.48Å; Y159-S183 PolarHBondContact O-OG 3.27Å; Y159-D220 PolarHBondContact N-OD2 3.14Å
160	R	76.2	Confident	79.5	Confident	16 Å²	16	19.5 Å²	19.5	6%	0.06	10%	0.098	C	C	.	.			trans	71	-1.9	162.1	-47.1	-178.8	-65.5	123.8	-17.2	117.7	I158 L182 S183 D220 F717 F718 L719	I158-R160 HydrophobicContact CB-CG 3.9Å; I158-R160 HydrophobicContact CG2-CG 3.56Å; R160-L182 PolarHBondContact NE-O 2.68Å; R160-L182 PolarHBondContact NH1-O 2.83Å; R160-L182 PolarHBondContact NH2-O 2.84Å; R160-S183 PolarHBondContact NH2-O 3.48Å; R160-D220 WeakPolarHBondContact CA-OD1 3.39Å; R160-D220 PolarHBondContact N-OD1 3.17Å; R160-F717 HydrophobicContact CG-CD1 4.28Å; R160-F717 HydrophobicContact CG-CE1 3.75Å; R160-F718 PolarHBondContact NH1-O 3.45Å; R160-F718 PolarHBondContact NH2-O 3.08Å; R160-L719 HydrophobicContact CB-CD2 3.98Å
161	D	72.3	Confident	79.1	Confident	15 Å²	15	22.1 Å²	22.1	8%	0.08	12%	0.119	C	C	.	.			trans	-137.8	40.8	176.8	-161	36.6	0	0	0	111.4	Y159 K163 N166 L182	Y159-D161 VanDerWaalsContact C-N 3.25Å; Y159-D161 PolarHBondContact O-N 3.49Å; Y159-D161 VanDerWaalsContact O-N 3.15Å; D161-K163 VanDerWaalsContact CG-NZ 3.29Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 IonicContact OD1-NZ 3.75Å; D161-K163 PolarHBondContact OD1-NZ 3.06Å; D161-K163 IonicContact OD2-NZ 2.7Å; D161-K163 PolarHBondContact OD2-NZ 3.27Å; D161-N166 PolarHBondContact O-ND2 3.02Å; D161-N166 PolarHBondContact OD2-ND2 3.28Å; D161-L182 HydrophobicContact CB-CB 4.1Å; D161-L182 HydrophobicContact CB-CD1 4.08Å
162	L	84.4	Confident	79.1	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.125	C	C	.	.			trans	-71.1	110.7	172.2	-176.5	63.2	0	0	0	110.2	I145 L149 Y159 V167 L177 Y203 L224 L227	I145-L162 HydrophobicContact CG2-CD1 4.08Å; I145-L162 HydrophobicContact CG2-CD2 3.79Å; L149-L162 HydrophobicContact CD1-CD2 4.09Å; Y159-L162 HydrophobicContact CD1-CB 3.89Å; Y159-L162 HydrophobicContact CE1-CB 3.93Å; Y159-L162 HydrophobicContact CE1-CD1 4.14Å; L162-V167 HydrophobicContact CD1-CG2 3.86Å; L162-L177 HydrophobicContact CD1-CD2 4.13Å; L162-Y203 VanDerWaalsContact O-CD1 3.25Å; L162-Y203 WeakPolarHBondContact O-CD1 3.33Å; L162-L224 HydrophobicContact CD2-CB 4.04Å; L162-L224 HydrophobicContact CD2-CD1 4.45Å; L162-L227 HydrophobicContact CD1-CD1 3.88Å; L162-L227 HydrophobicContact CG-CD1 3.95Å
163	K	76.4	Confident	79.5	Confident	25 Å²	25	23.5 Å²	23.5	11%	0.109	13%	0.125	C	C	.	.			trans	-153.7	159.3	179.6	64.4	-178.5	-166.2	-71.6	0	110	D161 E165 N166 V167 Y203	D161-K163 VanDerWaalsContact CG-NZ 3.29Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 IonicContact OD1-NZ 3.75Å; D161-K163 PolarHBondContact OD1-NZ 3.06Å; D161-K163 IonicContact OD2-NZ 2.7Å; D161-K163 PolarHBondContact OD2-NZ 3.27Å; K163-E165 WeakPolarHBondContact CB-OE2 3.26Å; K163-E165 WeakPolarHBondContact CD-OE2 3.48Å; K163-E165 HydrophobicContact CG-CB 4.5Å; K163-E165 VanDerWaalsContact CG-OE2 3.23Å; K163-E165 WeakPolarHBondContact CG-OE2 3.29Å; K163-E165 PolarHBondContact O-N 3.46Å; K163-E165 VanDerWaalsContact O-N 3.13Å; K163-N166 HydrophobicContact CG-CB 4.21Å; K163-N166 PolarHBondContact NZ-ND2 3.35Å; K163-N166 PolarHBondContact NZ-OD1 3.29Å; K163-N166 PolarHBondContact O-N 3.17Å; K163-V167 PolarHBondContact O-N 3.43Å; K163-Y203 HydrophobicContact CB-CD1 4.22Å; K163-Y203 HydrophobicContact CB-CD2 3.89Å; K163-Y203 HydrophobicContact CB-CE1 3.91Å; K163-Y203 HydrophobicContact CB-CE2 3.54Å; K163-Y203 HydrophobicContact CB-CG 4.19Å
164	L	74.3	Confident	80	Confident	2 Å²	2	23 Å²	23	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	-175	-68.9	167.5	0	0	0	114.3	M123 F124 L127 Y203 L227 E230 L231	M123-L164 HydrophobicContact CG-CD2 4.07Å; F124-L164 HydrophobicContact CB-CB 3.9Å; F124-L164 HydrophobicContact CD2-CD1 4.5Å; F124-L164 PolarHBondContact N-O 3.38Å; L127-L164 HydrophobicContact CD2-CD1 3.51Å; L127-L164 HydrophobicContact CD2-CD2 4.32Å; L164-Y203 PolarHBondContact N-OH 2.86Å; L164-Y203 VanDerWaalsContact N-OH 3.09Å; L164-L227 HydrophobicContact CD2-CD1 4.28Å; L164-L227 HydrophobicContact CD2-CD2 4.45Å; L164-L227 HydrophobicContact CD2-CG 3.94Å; L164-L227 HydrophobicContact CG-CG 4.41Å; L164-E230 HydrophobicContact CD1-CB 4.04Å; L164-L231 HydrophobicContact CD2-CD2 3.72Å; L164-L231 HydrophobicContact CD2-CG 4.29Å
165	E	70.7	Confident	80.5	Confident	32 Å²	32	19 Å²	19	15%	0.15	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.2	177.6	-48.1	97.7	125.5	0	0	113.3	K163 L727	K163-E165 WeakPolarHBondContact CB-OE2 3.26Å; K163-E165 WeakPolarHBondContact CD-OE2 3.48Å; K163-E165 HydrophobicContact CG-CB 4.5Å; K163-E165 VanDerWaalsContact CG-OE2 3.23Å; K163-E165 WeakPolarHBondContact CG-OE2 3.29Å; K163-E165 PolarHBondContact O-N 3.46Å; K163-E165 VanDerWaalsContact O-N 3.13Å; E165-L727 HydrophobicContact CG-CD1 4.43Å
166	N	79.7	Confident	81.3	Confident	10 Å²	10	16.2 Å²	16.2	5%	0.053	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.6	177.2	-73.7	9.2	0	0	0	113.3	Y159 D161 K163 T178	Y159-N166 WeakPolarHBondContact OH-CB 3.43Å; D161-N166 PolarHBondContact O-ND2 3.02Å; D161-N166 PolarHBondContact OD2-ND2 3.28Å; K163-N166 HydrophobicContact CG-CB 4.21Å; K163-N166 PolarHBondContact NZ-ND2 3.35Å; K163-N166 PolarHBondContact NZ-OD1 3.29Å; K163-N166 PolarHBondContact O-N 3.17Å; N166-T178 PolarHBondContact O-N 2.92Å
167	V	84.8	Confident	82	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.5	172	179.6	0	0	0	0	107.2	M123 I145 L162 K163 I175 L177 L227	M123-V167 HydrophobicContact CB-CB 3.9Å; M123-V167 HydrophobicContact CB-CG1 3.75Å; M123-V167 WeakPolarHBondContact CB-O 3.35Å; M123-V167 HydrophobicContact CG-CG1 4.13Å; M123-V167 PolarHBondContact N-O 2.92Å; I145-V167 HydrophobicContact CD1-CG2 4.48Å; L162-V167 HydrophobicContact CD1-CG2 3.86Å; K163-V167 PolarHBondContact O-N 3.43Å; V167-I175 HydrophobicContact CG1-CB 4.39Å; V167-I175 HydrophobicContact CG1-CD1 3.71Å; V167-I175 HydrophobicContact CG1-CG1 3.72Å; V167-I175 HydrophobicContact CG1-CG2 3.87Å; V167-L177 HydrophobicContact CB-CD2 4.48Å; V167-L177 HydrophobicContact CG2-CD2 3.75Å; V167-L227 HydrophobicContact CG2-CD1 3.74Å
168	L	84.8	Confident	82.4	Confident	18 Å²	18	16.4 Å²	16.4	9%	0.094	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	161.3	173.6	-54.2	-173.9	0	0	0	110.2	V118 G121 E122 I175 V176 T178	V118-L168 HydrophobicContact CB-CB 4.08Å; V118-L168 HydrophobicContact CB-CD1 3.86Å; V118-L168 HydrophobicContact CG1-CB 3.52Å; V118-L168 HydrophobicContact CG1-CD1 4.26Å; V118-L168 HydrophobicContact CG2-CD1 4.33Å; G121-L168 CarbonylContact O-C 3.53Å; G121-L168 VanDerWaalsContact O-CA 3.22Å; G121-L168 WeakPolarHBondContact O-CA 3.42Å; E122-L168 HydrophobicContact CB-CD2 4.32Å; E122-L168 HydrophobicContact CG-CD2 3.8Å; L168-I175 CarbonylContact O-C 3.52Å; L168-I175 WeakPolarHBondContact O-CA 3.44Å; L168-V176 PolarHBondContact N-O 2.85Å; L168-V176 PolarHBondContact O-N 3.35Å; L168-T178 HydrophobicContact CD1-CG2 3.89Å; L168-T178 HydrophobicContact CG-CG2 3.9Å
169	L	85	Confident	82.1	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.2	170.1	-57.5	-175.8	0	0	0	110.3	V118 G120 G121 M123 Y141 H174 I175 F318 P320	V118-L169 VanDerWaalsContact CG1-C 3.44Å; V118-L169 WeakPolarHBondContact CG1-O 3.16Å; G120-L169 CarbonylContact C-O 3.58Å; G120-L169 WeakPolarHBondContact CA-O 3.47Å; G120-L169 PolarHBondContact N-O 3.08Å; G121-L169 PolarHBondContact N-O 3.43Å; G121-L169 PolarHBondContact O-N 2.94Å; M123-L169 HydrophobicContact CE-CD2 4.39Å; M123-L169 HydrophobicContact SD-CD1 4.29Å; M123-L169 HydrophobicContact SD-CD2 4.42Å; Y141-L169 HydrophobicContact CE1-CD2 3.88Å; L169-H174 CarbonylContact C-O 3.13Å; L169-H174 WeakPolarHBondContact CA-O 3.41Å; L169-I175 HydrophobicContact CD2-CG1 3.66Å; L169-F318 HydrophobicContact CD1-CE1 3.71Å; L169-F318 HydrophobicContact CD1-CE2 4.38Å; L169-F318 HydrophobicContact CD1-CZ 3.42Å; L169-F318 VanDerWaalsContact CD1-CZ 3.42Å; L169-P320 HydrophobicContact CB-CG 4.06Å; L169-P320 HydrophobicContact CD1-CG 4.26Å
170	D	83.7	Confident	81.5	Confident	20 Å²	20	18.3 Å²	18.3	11%	0.107	10%	0.098	C	C	.	.			trans	-79.6	-177.3	172.3	65.6	29.8	0	0	0	112.8	V118 E172 G173 H174 V176 R312	V118-D170 HydrophobicContact CG1-CB 4.31Å; D170-E172 PolarHBondContact O-N 2.77Å; D170-E172 PolarHBondContact OD1-N 3.43Å; D170-G173 WeakPolarHBondContact O-CA 3.48Å; D170-G173 PolarHBondContact O-N 2.6Å; D170-G173 PolarHBondContact OD1-N 3.17Å; D170-H174 PolarHBondContact N-O 2.79Å; D170-H174 PolarHBondContact OD1-N 3.19Å; D170-V176 HydrophobicContact CB-CG2 4.25Å; D170-R312 IonicContact OD2-CZ 2.94Å; D170-R312 IonicContact OD2-NH1 2.7Å; D170-R312 PolarHBondContact OD2-NH1 3Å; D170-R312 IonicContact OD2-NH2 3.05Å; D170-R312 PolarHBondContact OD2-NH2 2.83Å
171	S	83.9	Confident	80.3	Confident	73 Å²	73	19 Å²	19	51%	0.51	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.4	-178.2	47.4	0	0	0	0	114.3
172	E	86.1	Confident	79.2	Confident	88 Å²	88	19.2 Å²	19.2	41%	0.411	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.1	171.6	-63	-150.5	82.6	0	0	112.7	D170 A316 R319	D170-E172 PolarHBondContact O-N 2.77Å; D170-E172 PolarHBondContact OD1-N 3.43Å; E172-A316 WeakPolarHBondContact O-CB 3.41Å; E172-R319 WeakPolarHBondContact O-CG 3.15Å; E172-R319 IonicContact OE1-CZ 3.26Å; E172-R319 IonicContact OE1-NH2 3.37Å; E172-R319 PolarHBondContact OE1-NH2 3.06Å
173	G	88.1	Confident	77.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	92.8	9.1	178.8	0	0	0	0	0	114.8	Y141 D170 A316 F318 P320	Y141-G173 VanDerWaalsContact CE1-O 3.29Å; Y141-G173 WeakPolarHBondContact CE1-O 3.28Å; Y141-G173 PolarHBondContact OH-O 3.08Å; D170-G173 WeakPolarHBondContact O-CA 3.48Å; D170-G173 PolarHBondContact O-N 2.6Å; D170-G173 PolarHBondContact OD1-N 3.17Å; G173-A316 VanDerWaalsContact C-CB 3.42Å; G173-A316 WeakPolarHBondContact O-CB 3.28Å; G173-F318 WeakPolarHBondContact CA-O 3.36Å; G173-P320 VanDerWaalsContact CA-CD 3.41Å
174	H	93.1	Very high	75.8	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.019	12%	0.115	C	C	.	.			trans	-79.4	149.9	174.9	-70.8	-67	0	0	0	111.3	F97 E144 L169 D170 I314	F97-H174 HydrophobicContact CD1-CB 4.36Å; F97-H174 HydrophobicContact CE1-CB 4.1Å; E144-H174 IonicContact OE1-CE1 2.66Å; E144-H174 IonicContact OE1-CG 3.22Å; E144-H174 IonicContact OE1-ND1 3.56Å; E144-H174 PolarHBondContact OE1-ND1 3.5Å; L169-H174 CarbonylContact C-O 3.13Å; L169-H174 WeakPolarHBondContact CA-O 3.41Å; D170-H174 PolarHBondContact N-O 2.79Å; D170-H174 PolarHBondContact OD1-N 3.19Å; H174-I314 PolarHBondContact CE1-O 2.83Å; H174-I314 VanDerWaalsContact CE1-O 3.23Å
175	I	92.1	Very high	74.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	143.5	179.2	-77.9	173.9	0	0	0	112.3	F97 Y141 E144 I145 V167 L168 L169 L177	F97-I175 VanDerWaalsContact CA-O 3.28Å; F97-I175 WeakPolarHBondContact CA-O 3.39Å; F97-I175 WeakPolarHBondContact CB-O 3.27Å; F97-I175 VanDerWaalsContact CD1-O 3.28Å; F97-I175 WeakPolarHBondContact CD1-O 3.41Å; Y141-I175 HydrophobicContact CD1-CD1 3.49Å; Y141-I175 VanDerWaalsContact CD1-CD1 3.49Å; Y141-I175 HydrophobicContact CD1-CG1 3.69Å; Y141-I175 HydrophobicContact CE1-CD1 4.39Å; Y141-I175 HydrophobicContact CE1-CG1 4.15Å; Y141-I175 HydrophobicContact CG-CD1 3.95Å; E144-I175 HydrophobicContact CB-CB 4.21Å; E144-I175 WeakPolarHBondContact OE2-CB 3.45Å; E144-I175 PolarHBondContact OE2-N 2.91Å; I145-I175 HydrophobicContact CD1-CD1 3.82Å; I145-I175 HydrophobicContact CG1-CD1 3.69Å; I145-I175 HydrophobicContact CG1-CG2 4.25Å; V167-I175 HydrophobicContact CG1-CB 4.39Å; V167-I175 HydrophobicContact CG1-CD1 3.71Å; V167-I175 HydrophobicContact CG1-CG1 3.72Å; V167-I175 HydrophobicContact CG1-CG2 3.87Å; L168-I175 CarbonylContact O-C 3.52Å; L168-I175 WeakPolarHBondContact O-CA 3.44Å; L169-I175 HydrophobicContact CD2-CG1 3.66Å; I175-L177 HydrophobicContact CG2-CD2 3.92Å; I175-L177 HydrophobicContact CG2-CG 4.43Å
176	V	88.8	Confident	72.7	Confident	11 Å²	11	21.8 Å²	21.8	7%	0.067	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	116.8	162.6	-172.8	0	0	0	0	108.3	F97 V99 V118 L168 D170	F97-V176 WeakPolarHBondContact O-CA 3.41Å; V99-V176 HydrophobicContact CB-CG1 3.81Å; V99-V176 HydrophobicContact CG2-CG1 4.47Å; V118-V176 HydrophobicContact CG1-CB 4.09Å; V118-V176 HydrophobicContact CG1-CG2 4Å; V118-V176 HydrophobicContact CG2-CB 4.08Å; V118-V176 HydrophobicContact CG2-CG1 4Å; V118-V176 HydrophobicContact CG2-CG2 4.21Å; L168-V176 PolarHBondContact N-O 2.85Å; L168-V176 PolarHBondContact O-N 3.35Å; D170-V176 HydrophobicContact CB-CG2 4.25Å
177	L	87.4	Confident	70.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.7	171.1	-56	-171.3	0	0	0	110.2	F97 L98 V99 A148 Y159 L162 V167 I175	F97-L177 PolarHBondContact O-N 2.84Å; L98-L177 HydrophobicContact CD2-CB 3.82Å; L98-L177 HydrophobicContact CD2-CD1 3.95Å; L98-L177 HydrophobicContact CD2-CG 4.11Å; V99-L177 WeakPolarHBondContact CG1-O 3.35Å; V99-L177 PolarHBondContact N-O 2.81Å; A148-L177 HydrophobicContact CB-CD1 3.63Å; A148-L177 HydrophobicContact CB-CG 4.08Å; Y159-L177 HydrophobicContact CE1-CD1 4.3Å; L162-L177 HydrophobicContact CD1-CD2 4.13Å; V167-L177 HydrophobicContact CB-CD2 4.48Å; V167-L177 HydrophobicContact CG2-CD2 3.75Å; I175-L177 HydrophobicContact CG2-CD2 3.92Å; I175-L177 HydrophobicContact CG2-CG 4.43Å
178	T	80.9	Confident	67.7	Low	26 Å²	26	31.6 Å²	31.6	16%	0.16	18%	0.179	C	C	.	.			trans	-125.4	-175.4	-180	-165	0	0	0	0	112.5	Y159 N166 L168	Y159-T178 PolarHBondContact OH-O 3.43Å; N166-T178 PolarHBondContact O-N 2.92Å; L168-T178 HydrophobicContact CD1-CG2 3.89Å; L168-T178 HydrophobicContact CG-CG2 3.9Å
179	D	71.1	Confident	65.3	Low	41 Å²	41	34.5 Å²	34.5	22%	0.219	19%	0.192	C	C	.	.			trans	47.9	74	179.8	-159.6	-11.3	0	0	0	115.4	K65 G181	K65-D179 VanDerWaalsContact NZ-CG 3.34Å; K65-D179 IonicContact NZ-OD1 2.68Å; K65-D179 PolarHBondContact NZ-OD1 2.8Å; K65-D179 IonicContact NZ-OD2 3.2Å; D179-G181 PolarHBondContact O-N 2.78Å; D179-G181 WeakPolarHBondContact OD1-CA 3.4Å; D179-G181 PolarHBondContact OD1-N 2.79Å
180	F	66.9	Low	62.6	Low	3 Å²	3	41.5 Å²	41.5	1%	0.013	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-75.9	10.2	170.6	-58.8	-76.2	0	0	0	113.5	E85 V88 L89 V92 L98 V99 L152 Y159 L182 S183	E85-F180 HydrophobicContact CG-CB 4.07Å; V88-F180 HydrophobicContact CB-CB 4.37Å; V88-F180 HydrophobicContact CG1-CB 3.81Å; V88-F180 HydrophobicContact CG1-CD1 3.87Å; V88-F180 HydrophobicContact CG1-CD2 4.44Å; V88-F180 HydrophobicContact CG1-CG 3.79Å; L89-F180 HydrophobicContact CD2-CD2 3.52Å; L89-F180 HydrophobicContact CD2-CE2 3.7Å; L89-F180 HydrophobicContact CG-CD2 3.86Å; L89-F180 HydrophobicContact CG-CE2 4.45Å; V92-F180 HydrophobicContact CG2-CE2 3.98Å; V92-F180 HydrophobicContact CG2-CZ 4.01Å; L98-F180 HydrophobicContact CB-CZ 4.2Å; L98-F180 HydrophobicContact CD1-CZ 4.47Å; L98-F180 HydrophobicContact CD2-CE1 4.38Å; L98-F180 HydrophobicContact CD2-CZ 4.08Å; L98-F180 HydrophobicContact CG-CZ 4.48Å; V99-F180 HydrophobicContact CG1-CD2 4.36Å; V99-F180 HydrophobicContact CG1-CE2 3.74Å; L152-F180 HydrophobicContact CD1-CE1 4.07Å; L152-F180 HydrophobicContact CD2-CE1 3.89Å; Y159-F180 AromaticContact CD2-CD1 3.85Å; Y159-F180 HydrophobicContact CD2-CD1 3.85Å; Y159-F180 AromaticContact CD2-CE1 3.96Å; Y159-F180 HydrophobicContact CD2-CE1 3.96Å; Y159-F180 AromaticContact CE2-CD1 3.83Å; Y159-F180 HydrophobicContact CE2-CD1 3.83Å; Y159-F180 AromaticContact CE2-CE1 3.92Å; Y159-F180 HydrophobicContact CE2-CE1 3.92Å; F180-L182 PolarHBondContact O-N 2.99Å; F180-S183 PolarHBondContact O-N 3.2Å
181	G	52.4	Low	60	Low	31 Å²	31	49.4 Å²	49.4	32%	0.32	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.7	-8.4	-178	0	0	0	0	0	114.7	D179	D179-G181 PolarHBondContact O-N 2.78Å; D179-G181 WeakPolarHBondContact OD1-CA 3.4Å; D179-G181 PolarHBondContact OD1-N 2.79Å
182	L	48	Very low	57.7	Low	18 Å²	18	51.7 Å²	51.7	9%	0.094	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-122.9	11.8	173.2	-68.7	176	0	0	0	113.6	R160 D161 F180	R160-L182 PolarHBondContact NE-O 2.68Å; R160-L182 PolarHBondContact NH1-O 2.83Å; R160-L182 PolarHBondContact NH2-O 2.84Å; D161-L182 HydrophobicContact CB-CB 4.1Å; D161-L182 HydrophobicContact CB-CD1 4.08Å; F180-L182 PolarHBondContact O-N 2.99Å
183	S	45.8	Very low	55.3	Low	9 Å²	9	56.2 Å²	56.2	6%	0.063	27%	0.274	C	S	.	.			trans	-79.3	164.8	174.1	-58.1	0	0	0	0	112	I158 Y159 R160 F180	I158-S183 CarbonylContact O-C 3.55Å; I158-S183 VanDerWaalsContact O-CA 3.27Å; I158-S183 WeakPolarHBondContact O-CA 3.44Å; I158-S183 WeakPolarHBondContact O-CB 3.27Å; Y159-S183 WeakPolarHBondContact CD2-OG 3.48Å; Y159-S183 WeakPolarHBondContact O-CA 3.48Å; Y159-S183 PolarHBondContact O-OG 3.27Å; R160-S183 PolarHBondContact NH2-O 3.48Å; F180-S183 PolarHBondContact O-N 3.2Å
184	K	44.8	Very low	52.5	Low	28 Å²	28	57.1 Å²	57.1	12%	0.122	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-154.1	139.2	170.8	173.9	154.9	174.7	-177.2	0	113.4	T82 I157 I158 G716 F717	T82-K184 HydrophobicContact CG2-CB 4.27Å; T82-K184 HydrophobicContact CG2-CD 3.65Å; T82-K184 HydrophobicContact CG2-CG 3.96Å; T82-K184 WeakPolarHBondContact OG1-CD 3.39Å; T82-K184 WeakPolarHBondContact OG1-CE 3.48Å; T82-K184 PolarHBondContact OG1-NZ 3.39Å; I157-K184 WeakPolarHBondContact CA-O 3.35Å; I158-K184 PolarHBondContact N-O 3.32Å; I158-K184 PolarHBondContact O-N 3.06Å; K184-G716 VanDerWaalsContact CE-O 3.26Å; K184-G716 WeakPolarHBondContact CE-O 3.28Å; K184-F717 VanDerWaalsContact CD-O 3.25Å; K184-F717 WeakPolarHBondContact CD-O 3.43Å; K184-F717 WeakPolarHBondContact CE-O 3.26Å; K184-F717 PolarHBondContact NZ-O 3.2Å
185	E	38.9	Very low	49.6	Very low	35 Å²	35	63.8 Å²	63.8	16%	0.164	31%	0.308	C	S	.	.			trans	-96.4	169	169	-165.6	-129.7	-166.3	0	0	111	R83 I157	R83-E185 WeakPolarHBondContact CD-OE2 2.97Å; R83-E185 IonicContact CZ-OE1 3.36Å; R83-E185 IonicContact CZ-OE2 3.37Å; R83-E185 IonicContact NE-OE1 2.76Å; R83-E185 IonicContact NE-OE2 3.13Å; R83-E185 PolarHBondContact NE-OE2 2.83Å; R83-E185 IonicContact NH1-OE1 2.74Å; R83-E185 PolarHBondContact NH1-OE1 3.06Å; R83-E185 IonicContact NH1-OE2 3.48Å; R83-E185 PolarHBondContact NH1-OE2 3.49Å; R83-E185 VanDerWaalsContact NH2-CD 3.27Å; R83-E185 IonicContact NH2-OE1 2.7Å; R83-E185 PolarHBondContact NH2-OE1 3.14Å; R83-E185 IonicContact NH2-OE2 3.42Å; R83-E185 PolarHBondContact NH2-OE2 2.97Å; I157-E185 HydrophobicContact CG1-CB 4.29Å; I157-E185 HydrophobicContact CG1-CG 4.4Å
186	F	39.5	Very low	46.6	Very low	42 Å²	42	65.3 Å²	65.3	18%	0.184	32%	0.319	C	S	.	.			trans	-163.5	134.9	-144.8	-131.9	-29	0	0	0	109.9	I158 T194 E715 G716 F717	I158-F186 HydrophobicContact CD1-CD2 3.84Å; I158-F186 HydrophobicContact CD1-CE2 3.93Å; I158-F186 HydrophobicContact CG1-CD2 4.44Å; F186-T194 HydrophobicContact CE1-CG2 3.27Å; F186-T194 HydrophobicContact CZ-CG2 3.35Å; F186-E715 CarbonylContact C-O 3.57Å; F186-E715 VanDerWaalsContact CB-C 3.43Å; F186-E715 WeakPolarHBondContact CB-O 3.12Å; F186-E715 WeakPolarHBondContact CD1-O 3.32Å; F186-E715 WeakPolarHBondContact CG-O 3.13Å; F186-G716 VanDerWaalsContact CB-CA 3.47Å; F186-G716 VanDerWaalsContact CB-N 3.26Å; F186-G716 VanDerWaalsContact CD1-N 3.27Å; F186-G716 WeakPolarHBondContact CD1-O 3.16Å; F186-G716 WeakPolarHBondContact CD2-O 3.31Å; F186-G716 WeakPolarHBondContact CE1-O 3.22Å; F186-G716 VanDerWaalsContact CE2-N 3.27Å; F186-G716 WeakPolarHBondContact CG-O 3.37Å; F186-G716 WeakPolarHBondContact CZ-O 3.17Å; F186-F717 HydrophobicContact CE2-CB 3.49Å; F186-F717 VanDerWaalsContact CE2-CB 3.49Å; F186-F717 AromaticContact CE2-CD2 3.29Å; F186-F717 HydrophobicContact CE2-CD2 3.29Å; F186-F717 HydrophobicContact CE2-CE2 4.17Å; F186-F717 AromaticContact CE2-CG 3.6Å; F186-F717 HydrophobicContact CE2-CG 3.6Å; F186-F717 VanDerWaalsContact CG-N 3.27Å; F186-F717 HydrophobicContact CZ-CB 3.57Å; F186-F717 HydrophobicContact CZ-CD2 4Å; F186-F717 HydrophobicContact CZ-CG 4.22Å
187	L	30.5	Very low	43.6	Very low	136 Å²	136	67.1 Å²	67.1	71%	0.712	33%	0.326	S	S	*	.			trans	-115	100.4	-171.8	-64	176.4	0	0	0	112.2	E715	L187-E715 CarbonylContact C-O 3.57Å; L187-E715 PolarHBondContact N-O 2.67Å
188	T	29.1	Very low	41	Very low	81 Å²	81	67.2 Å²	67.2	50%	0.497	33%	0.327	S	S	.	.			trans	50.7	118.1	156.8	62.6	0	0	0	0	121.5	E190 R714 E715	T188-E190 PolarHBondContact O-N 3.16Å; T188-E190 VanDerWaalsContact O-N 3.13Å; T188-R714 VanDerWaalsContact CA-C 3.46Å; T188-R714 WeakPolarHBondContact CA-O 3.24Å; T188-R714 HydrophobicContact CG2-CB 3.87Å; T188-R714 PolarHBondContact N-O 2.9Å; T188-E715 PolarHBondContact N-O 2.81Å
189	E	34.8	Very low	38.9	Very low	78 Å²	78	66.2 Å²	66.2	36%	0.364	32%	0.322	S	S	.	.			trans	-39.9	116.7	-178	-66.6	123	-133.6	0	0	111.3	R714 E715	E189-R714 HydrophobicContact CB-CG 3.7Å; E189-R714 HydrophobicContact CG-CG 3.71Å; E189-R714 VanDerWaalsContact N-CG 3.32Å; E189-R714 PolarHBondContact O-NH1 2.95Å; E189-R714 PolarHBondContact O-NH2 2.69Å; E189-R714 WeakPolarHBondContact OE1-CG 3.22Å; E189-R714 WeakPolarHBondContact OE2-CG 3.37Å; E189-R714 IonicContact OE2-CZ 3.66Å; E189-R714 IonicContact OE2-NE 3.59Å; E189-R714 PolarHBondContact OE2-NE 3.27Å; E189-R714 IonicContact OE2-NH2 2.81Å; E189-E715 WeakPolarHBondContact CA-OE2 3.37Å; E189-E715 HydrophobicContact CB-CB 4.14Å; E189-E715 HydrophobicContact CG-CB 3.82Å; E189-E715 VanDerWaalsContact CG-CD 3.46Å; E189-E715 HydrophobicContact CG-CG 3.91Å; E189-E715 WeakPolarHBondContact CG-OE1 3.3Å
190	E	28.7	Very low	37.9	Very low	147 Å²	147	66.3 Å²	66.3	69%	0.687	32%	0.324	S	S	*	.	S	Bend		-157.7	117.9	120.4	-115.1	159.3	-112.3	0	0	110	T188 R714	T188-E190 PolarHBondContact O-N 3.16Å; T188-E190 VanDerWaalsContact O-N 3.13Å; E190-R714 IonicContact OE1-CZ 3.71Å; E190-R714 IonicContact OE1-NH1 3.23Å; E190-R714 PolarHBondContact OE1-NH1 3.46Å; E190-R714 IonicContact OE1-NH2 2.68Å; E190-R714 PolarHBondContact OE1-NH2 2.69Å
191	K	29.3	Very low	37.6	Very low	187 Å²	187	67.3 Å²	67.3	81%	0.813	33%	0.329	S	S	*	.	S	Bend	trans	77.3	100.7	-168.5	-54	154.2	-173.7	163.3	0	112.7	R193	K191-R193 PolarHBondContact O-N 3.44Å
192	E	35.3	Very low	38.3	Very low	121 Å²	121	67.2 Å²	67.2	57%	0.565	32%	0.321	S	S	*	.	S	Bend	trans	-54.6	42.3	178.5	-49.2	170.3	120.6	0	0	116.1	K282	E192-K282 IonicContact OE1-NZ 2.86Å; E192-K282 IonicContact OE2-NZ 3.2Å
193	R	35.4	Very low	39.5	Very low	183 Å²	183	66.9 Å²	66.9	69%	0.691	32%	0.318	S	S	*	.			trans	-140.6	141.7	-166.8	-62.2	-173.4	-170.7	171	6.4	115.4	K191	K191-R193 PolarHBondContact O-N 3.44Å
194	T	29.5	Very low	41.1	Very low	19 Å²	19	66.7 Å²	66.7	12%	0.117	32%	0.316	C	S	.	.			trans	-153.4	170.7	-179.8	33.4	0	0	0	0	108.3	F186 A213 G214 F717 F718	F186-T194 HydrophobicContact CE1-CG2 3.27Å; F186-T194 HydrophobicContact CZ-CG2 3.35Å; T194-A213 CarbonylContact O-C 3.22Å; T194-A213 VanDerWaalsContact O-C 3.22Å; T194-A213 WeakPolarHBondContact O-CA 3.26Å; T194-G214 PolarHBondContact O-N 2.89Å; T194-F717 HydrophobicContact CG2-CB 3.93Å; T194-F717 WeakPolarHBondContact CG2-O 3.38Å; T194-F717 WeakPolarHBondContact OG1-CB 3.44Å; T194-F718 VanDerWaalsContact C-CD2 3.47Å; T194-F718 VanDerWaalsContact O-CE2 3.28Å; T194-F718 WeakPolarHBondContact O-CE2 3.34Å; T194-F718 WeakPolarHBondContact OG1-CD2 3.43Å; T194-F718 WeakPolarHBondContact OG1-CE2 3.09Å
195	F	31.7	Very low	43	Very low	143 Å²	143	65.3 Å²	65.3	63%	0.627	31%	0.31	S	S	*	.			trans	-136.5	123.1	-178.2	-54.8	-89.7	0	0	0	117.3	K212 A213 F718	F195-K212 CarbonylContact C-O 3.52Å; F195-K212 WeakPolarHBondContact CA-O 3.3Å; F195-K212 WeakPolarHBondContact CD1-O 3.5Å; F195-A213 HydrophobicContact CD1-CB 4.07Å; F195-A213 HydrophobicContact CE1-CB 3.62Å; F195-A213 HydrophobicContact CZ-CB 4.49Å; F195-F718 VanDerWaalsContact C-CD2 3.42Å
196	S	29.2	Very low	45.3	Very low	32 Å²	32	63.7 Å²	63.7	22%	0.224	30%	0.303	C	S	.	.			trans	161	-155.3	156.9	47.4	0	0	0	0	114.1	K212 F718 L719	S196-K212 PolarHBondContact N-O 1.95Å; S196-K212 VanDerWaalsContact N-O 3.14Å; S196-F718 VanDerWaalsContact N-CD2 3.31Å; S196-F718 WeakPolarHBondContact OG-CB 3.28Å; S196-L719 WeakPolarHBondContact CB-O 3.2Å; S196-L719 PolarHBondContact OG-N 3.23Å; S196-L719 PolarHBondContact OG-O 3.34Å
197	F	26.8	Very low	47.4	Very low	49 Å²	49	62.6 Å²	62.6	22%	0.215	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-161.4	108.8	-163.3	-177.2	-77.6	0	0	0	115.2	M204 I208 L719 K720	F197-M204 HydrophobicContact CD1-CE 3.77Å; F197-M204 HydrophobicContact CD1-SD 4.26Å; F197-M204 HydrophobicContact CE1-CE 3.63Å; F197-M204 HydrophobicContact CE1-SD 3.86Å; F197-M204 HydrophobicContact CZ-CE 4.4Å; F197-M204 HydrophobicContact CZ-SD 4.04Å; F197-I208 HydrophobicContact CD2-CG2 4.27Å; F197-I208 WeakPolarHBondContact CD2-O 3.32Å; F197-I208 WeakPolarHBondContact CE2-O 3.36Å; F197-I208 HydrophobicContact CG-CG2 4.38Å; F197-L719 PolarHBondContact N-O 3.31Å; F197-K720 HydrophobicContact CB-CD 4.33Å; F197-K720 VanDerWaalsContact O-CA 3.3Å; F197-K720 WeakPolarHBondContact O-CA 3.46Å; F197-K720 WeakPolarHBondContact O-CE 3.33Å; F197-K720 VanDerWaalsContact O-CG 3.32Å; F197-K720 WeakPolarHBondContact O-CG 3.37Å
198	C	31.4	Very low	49.7	Very low	2 Å²	2	56.4 Å²	56.4	1%	0.014	27%	0.266	C	S	.	.			trans	-155.8	-178.4	177.2	91.3	0	0	0	0	116.8	M204 L719 K720	C198-M204 VanDerWaalsContact O-CE 3.3Å; C198-M204 WeakPolarHBondContact O-CE 3.32Å; C198-M204 WeakPolarHBondContact O-CG 3.17Å; C198-L719 HydrophobicContact CB-CB 3.61Å; C198-L719 HydrophobicContact CB-CD2 4.1Å; C198-L719 HydrophobicContact CB-CG 4.39Å; C198-L719 VanDerWaalsContact N-CB 3.35Å; C198-L719 VanDerWaalsContact SG-CB 3.51Å; C198-L719 WeakPolarHBondContact SG-CD2 3.5Å; C198-K720 VanDerWaalsContact CB-C 3.45Å; C198-K720 VanDerWaalsContact CB-N 3.32Å
199	G	38.4	Very low	51.8	Low	6 Å²	6	53.8 Å²	53.8	6%	0.062	25%	0.249	C	C	.	.	S	Bend	trans	105.8	175.1	-160.7	0	0	0	0	0	111	M204 S721	G199-M204 WeakPolarHBondContact O-CE 3.4Å; G199-S721 WeakPolarHBondContact O-CB 3.19Å; G199-S721 PolarHBondContact O-OG 2.9Å
200	T	49.1	Very low	53.5	Low	43 Å²	43	57.7 Å²	57.7	26%	0.264	26%	0.26	S	S	.	.			trans	-73.5	131.8	154.1	-68.7	0	0	0	0	107.5	E202 Y203	T200-E202 HydrophobicContact CG2-CB 4.34Å; T200-E202 PolarHBondContact O-N 2.84Å; T200-Y203 HydrophobicContact CG2-CD2 4.29Å; T200-Y203 PolarHBondContact O-N 2.83Å
201	I	60.8	Low	54.8	Low	23 Å²	23	53.4 Å²	53.4	12%	0.118	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-54	-30.6	-170.2	-76.1	174.1	0	0	0	113.5	Y203 M204 I209 Q247 V250 I254	I201-Y203 VanDerWaalsContact C-N 3.26Å; I201-Y203 PolarHBondContact O-N 3.31Å; I201-M204 HydrophobicContact CB-SD 4.3Å; I201-M204 HydrophobicContact CG1-CE 3.69Å; I201-M204 HydrophobicContact CG1-SD 3.71Å; I201-M204 WeakPolarHBondContact O-CB 3.4Å; I201-M204 PolarHBondContact O-N 3.25Å; I201-M204 VanDerWaalsContact O-N 3.11Å; I201-I209 HydrophobicContact CG2-CD1 4.35Å; I201-Q247 HydrophobicContact CD1-CB 3.68Å; I201-Q247 HydrophobicContact CD1-CG 3.72Å; I201-V250 HydrophobicContact CG2-CB 4.44Å; I201-V250 HydrophobicContact CG2-CG1 4.1Å; I201-I254 HydrophobicContact CG2-CD1 4.38Å; I201-I254 WeakPolarHBondContact O-CD1 3.42Å
202	E	67.6	Low	55.7	Low	30 Å²	30	52.1 Å²	52.1	14%	0.14	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.5	178.8	-67.3	161.7	-136.4	0	0	114.2	T200 T239 V250 R731	T200-E202 HydrophobicContact CG2-CB 4.34Å; T200-E202 PolarHBondContact O-N 2.84Å; E202-T239 VanDerWaalsContact CD-CG2 3.49Å; E202-T239 HydrophobicContact CG-CG2 3.81Å; E202-V250 HydrophobicContact CG-CG1 3.81Å; E202-R731 IonicContact OE1-CZ 3.28Å; E202-R731 IonicContact OE1-NH1 3.2Å; E202-R731 PolarHBondContact OE1-NH1 3.24Å; E202-R731 IonicContact OE2-CZ 3.85Å; E202-R731 IonicContact OE2-NH1 3.37Å; E202-R731 PolarHBondContact OE2-NH1 2.9Å; E202-R731 IonicContact OE2-NH2 3.3Å; E202-R731 PolarHBondContact OE2-NH2 3.12Å
203	Y	73.8	Confident	55.8	Low	11 Å²	11	47.6 Å²	47.6	4%	0.043	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-94.8	-6.3	176	-60.3	-94.7	0	0	0	112.7	L162 K163 L164 T200 I201 A205 W222 S223 I226 L227 E230	L162-Y203 VanDerWaalsContact O-CD1 3.25Å; L162-Y203 WeakPolarHBondContact O-CD1 3.33Å; K163-Y203 HydrophobicContact CB-CD1 4.22Å; K163-Y203 HydrophobicContact CB-CD2 3.89Å; K163-Y203 HydrophobicContact CB-CE1 3.91Å; K163-Y203 HydrophobicContact CB-CE2 3.54Å; K163-Y203 HydrophobicContact CB-CG 4.19Å; L164-Y203 PolarHBondContact N-OH 2.86Å; L164-Y203 VanDerWaalsContact N-OH 3.09Å; T200-Y203 HydrophobicContact CG2-CD2 4.29Å; T200-Y203 PolarHBondContact O-N 2.83Å; I201-Y203 VanDerWaalsContact C-N 3.26Å; I201-Y203 PolarHBondContact O-N 3.31Å; Y203-A205 PolarHBondContact O-N 3.14Å; Y203-W222 VanDerWaalsContact O-CD1 3.31Å; Y203-S223 PolarHBondContact O-OG 3.27Å; Y203-I226 HydrophobicContact CD1-CB 3.87Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CE1-CB 4.42Å; Y203-I226 HydrophobicContact CE1-CG2 3.75Å; Y203-I226 HydrophobicContact CG-CG2 4.07Å; Y203-L227 HydrophobicContact CE1-CB 4.39Å; Y203-E230 WeakPolarHBondContact CE1-OE2 3.49Å; Y203-E230 PolarHBondContact OH-OE2 2.89Å
204	M	78.9	Confident	56.5	Low	4 Å²	4	40 Å²	40	2%	0.02	20%	0.203	C	C	.	.			trans	-70.1	129	-179.8	-72.2	179.6	-173	0	0	111.6	F197 C198 G199 I201 I208 I209 W222	F197-M204 HydrophobicContact CD1-CE 3.77Å; F197-M204 HydrophobicContact CD1-SD 4.26Å; F197-M204 HydrophobicContact CE1-CE 3.63Å; F197-M204 HydrophobicContact CE1-SD 3.86Å; F197-M204 HydrophobicContact CZ-CE 4.4Å; F197-M204 HydrophobicContact CZ-SD 4.04Å; C198-M204 VanDerWaalsContact O-CE 3.3Å; C198-M204 WeakPolarHBondContact O-CE 3.32Å; C198-M204 WeakPolarHBondContact O-CG 3.17Å; G199-M204 WeakPolarHBondContact O-CE 3.4Å; I201-M204 HydrophobicContact CB-SD 4.3Å; I201-M204 HydrophobicContact CG1-CE 3.69Å; I201-M204 HydrophobicContact CG1-SD 3.71Å; I201-M204 WeakPolarHBondContact O-CB 3.4Å; I201-M204 PolarHBondContact O-N 3.25Å; I201-M204 VanDerWaalsContact O-N 3.11Å; M204-I208 HydrophobicContact CB-CB 4.17Å; M204-I208 HydrophobicContact CB-CD1 4.29Å; M204-I208 HydrophobicContact CB-CG2 4.14Å; M204-I208 HydrophobicContact CG-CB 4.44Å; M204-I208 HydrophobicContact CG-CD1 4.44Å; M204-I208 HydrophobicContact CG-CG2 3.88Å; M204-I208 HydrophobicContact SD-CG2 3.69Å; M204-I209 HydrophobicContact CB-CD1 3.98Å; M204-I209 HydrophobicContact CB-CG1 3.86Å; M204-I209 HydrophobicContact SD-CG1 4.22Å; M204-W222 PolarHBondContact O-NE1 2.79Å; M204-W222 VanDerWaalsContact O-NE1 3.16Å
205	A	84.8	Confident	58.1	Low	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-62.4	149.5	170.1	0	0	0	0	0	112.1	Y203 E207 I208 I209 V219 W222	Y203-A205 PolarHBondContact O-N 3.14Å; A205-E207 VanDerWaalsContact CB-CD 3.43Å; A205-E207 HydrophobicContact CB-CG 4.25Å; A205-E207 WeakPolarHBondContact CB-OE1 3.28Å; A205-E207 WeakPolarHBondContact CB-OE2 3.37Å; A205-E207 PolarHBondContact O-N 3.27Å; A205-E207 VanDerWaalsContact O-N 3.09Å; A205-I208 HydrophobicContact CB-CD1 4.18Å; A205-I208 HydrophobicContact CB-CG1 4.5Å; A205-I208 WeakPolarHBondContact O-CB 3.42Å; A205-I208 PolarHBondContact O-N 2.83Å; A205-I209 PolarHBondContact O-N 2.76Å; A205-V219 HydrophobicContact CB-CB 4.28Å; A205-V219 HydrophobicContact CB-CG1 4.15Å; A205-W222 VanDerWaalsContact CA-CD1 3.44Å; A205-W222 HydrophobicContact CB-CB 3.77Å; A205-W222 HydrophobicContact CB-CD2 4.21Å; A205-W222 HydrophobicContact CB-CG 3.67Å
206	P	86.6	Confident	60.1	Low	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-29.7	-177.2	-29.9	38.1	0	0	0	114.5	I209 R210 W222 I254 L255 K279	P206-I209 PolarHBondContact O-N 2.89Å; P206-R210 WeakPolarHBondContact O-CB 3.36Å; P206-R210 VanDerWaalsContact O-CG 3.3Å; P206-R210 WeakPolarHBondContact O-CG 3.2Å; P206-R210 PolarHBondContact O-N 3.44Å; P206-W222 VanDerWaalsContact CD-CE3 3.47Å; P206-W222 VanDerWaalsContact CD-CZ3 3.46Å; P206-W222 HydrophobicContact CG-CE3 4.12Å; P206-W222 HydrophobicContact CG-CH2 3.51Å; P206-W222 HydrophobicContact CG-CZ2 4Å; P206-W222 HydrophobicContact CG-CZ3 3.56Å; P206-I254 HydrophobicContact CB-CG2 4.42Å; P206-I254 HydrophobicContact CG-CG2 3.85Å; P206-L255 HydrophobicContact CB-CD2 3.82Å; P206-L255 WeakPolarHBondContact O-CD2 3.42Å; P206-K279 HydrophobicContact CG-CB 4.23Å; P206-K279 HydrophobicContact CG-CG 4.19Å
207	E	84.3	Confident	62.6	Low	19 Å²	19	37.7 Å²	37.7	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-37.8	173.8	59.8	-87.6	-155.3	0	0	113.3	A205 I209 R210 S211 H215 V219 R284	A205-E207 VanDerWaalsContact CB-CD 3.43Å; A205-E207 HydrophobicContact CB-CG 4.25Å; A205-E207 WeakPolarHBondContact CB-OE1 3.28Å; A205-E207 WeakPolarHBondContact CB-OE2 3.37Å; A205-E207 PolarHBondContact O-N 3.27Å; A205-E207 VanDerWaalsContact O-N 3.09Å; E207-I209 PolarHBondContact O-N 2.56Å; E207-R210 PolarHBondContact O-N 3.04Å; E207-S211 PolarHBondContact O-N 3.33Å; E207-S211 VanDerWaalsContact O-N 3.14Å; E207-H215 HydrophobicContact CG-CB 3.87Å; E207-H215 VanDerWaalsContact CG-CG 3.45Å; E207-H215 WeakPolarHBondContact CG-ND1 3.47Å; E207-H215 PolarHBondContact O-CE1 2.88Å; E207-V219 HydrophobicContact CG-CG1 4.33Å; E207-R284 IonicContact OE1-CZ 3.13Å; E207-R284 IonicContact OE1-NH1 3.16Å; E207-R284 PolarHBondContact OE1-NH1 3.01Å; E207-R284 IonicContact OE1-NH2 2.76Å; E207-R284 PolarHBondContact OE1-NH2 2.75Å; E207-R284 IonicContact OE2-CZ 3.41Å; E207-R284 IonicContact OE2-NH1 3.7Å; E207-R284 IonicContact OE2-NH2 3.83Å; E207-R284 PolarHBondContact OE2-NH2 2.66Å
208	I	77.4	Confident	65.6	Low	7 Å²	7	35.7 Å²	35.7	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-35.3	173.5	-61.2	164.4	0	0	0	110.8	F197 M204 A205 H215 V219	F197-I208 HydrophobicContact CD2-CG2 4.27Å; F197-I208 WeakPolarHBondContact CD2-O 3.32Å; F197-I208 WeakPolarHBondContact CE2-O 3.36Å; F197-I208 HydrophobicContact CG-CG2 4.38Å; M204-I208 HydrophobicContact CB-CB 4.17Å; M204-I208 HydrophobicContact CB-CD1 4.29Å; M204-I208 HydrophobicContact CB-CG2 4.14Å; M204-I208 HydrophobicContact CG-CB 4.44Å; M204-I208 HydrophobicContact CG-CD1 4.44Å; M204-I208 HydrophobicContact CG-CG2 3.88Å; M204-I208 HydrophobicContact SD-CG2 3.69Å; A205-I208 HydrophobicContact CB-CD1 4.18Å; A205-I208 HydrophobicContact CB-CG1 4.5Å; A205-I208 WeakPolarHBondContact O-CB 3.42Å; A205-I208 PolarHBondContact O-N 2.83Å; I208-H215 WeakPolarHBondContact CA-NE2 3.21Å; I208-H215 WeakPolarHBondContact CG1-CD2 2.6Å; I208-H215 WeakPolarHBondContact CG1-NE2 3.24Å; I208-H215 PolarHBondContact N-CE1 3.16Å; I208-H215 PolarHBondContact N-NE2 3.46Å; I208-V219 HydrophobicContact CD1-CB 4.17Å; I208-V219 HydrophobicContact CD1-CG1 4.03Å; I208-V219 HydrophobicContact CG1-CG1 4.25Å
209	I	73.8	Confident	68.3	Low	26 Å²	26	35.8 Å²	35.8	13%	0.133	19%	0.189	C	C	.	.	H	α-helix	trans	-86	-33.9	-176.8	-55.8	-175.6	0	0	0	111.5	I201 M204 A205 P206 E207 I254 L255	I201-I209 HydrophobicContact CG2-CD1 4.35Å; M204-I209 HydrophobicContact CB-CD1 3.98Å; M204-I209 HydrophobicContact CB-CG1 3.86Å; M204-I209 HydrophobicContact SD-CG1 4.22Å; A205-I209 PolarHBondContact O-N 2.76Å; P206-I209 PolarHBondContact O-N 2.89Å; E207-I209 PolarHBondContact O-N 2.56Å; I209-I254 HydrophobicContact CD1-CB 3.9Å; I209-I254 HydrophobicContact CD1-CD1 3.64Å; I209-I254 HydrophobicContact CD1-CG1 4.38Å; I209-I254 HydrophobicContact CD1-CG2 3.64Å; I209-L255 HydrophobicContact CB-CD2 3.89Å; I209-L255 HydrophobicContact CB-CG 4.38Å; I209-L255 HydrophobicContact CG2-CD1 3.97Å; I209-L255 HydrophobicContact CG2-CD2 3.97Å; I209-L255 HydrophobicContact CG2-CG 3.89Å
210	R	71.5	Confident	70.8	Confident	160 Å²	160	35.5 Å²	35.5	60%	0.604	19%	0.186	S	C	*	.	H	α-helix	trans	-74.6	-33.2	-180	-78.5	177.4	-175.1	-175.1	3	113.9	P206 E207 L255	P206-R210 WeakPolarHBondContact O-CB 3.36Å; P206-R210 VanDerWaalsContact O-CG 3.3Å; P206-R210 WeakPolarHBondContact O-CG 3.2Å; P206-R210 PolarHBondContact O-N 3.44Å; E207-R210 PolarHBondContact O-N 3.04Å; R210-L255 HydrophobicContact CG-CD1 3.94Å; R210-L255 HydrophobicContact CG-CD2 3.62Å; R210-L255 HydrophobicContact CG-CG 4.42Å
211	S	56.3	Low	73.1	Confident	57 Å²	57	33.5 Å²	33.5	40%	0.399	17%	0.174	S	C	.	.			trans	-145	149.2	-169.6	-169.3	0	0	0	0	111.8	E207 A213	E207-S211 PolarHBondContact O-N 3.33Å; E207-S211 VanDerWaalsContact O-N 3.14Å; S211-A213 WeakPolarHBondContact OG-CB 3.35Å; S211-A213 PolarHBondContact OG-N 2.7Å
212	K	46.8	Very low	74.6	Confident	160 Å²	160	32.4 Å²	32.4	70%	0.696	17%	0.168	S	C	*	.	S	Bend	trans	-77.7	-7.2	164.7	-65.7	-177.6	-177	175.3	0	112.4	F195 S196	F195-K212 CarbonylContact C-O 3.52Å; F195-K212 WeakPolarHBondContact CA-O 3.3Å; F195-K212 WeakPolarHBondContact CD1-O 3.5Å; S196-K212 PolarHBondContact N-O 1.95Å; S196-K212 VanDerWaalsContact N-O 3.14Å
213	A	38.8	Very low	75.8	Confident	25 Å²	25	31.2 Å²	31.2	21%	0.207	16%	0.163	C	C	.	.	S	Bend	trans	-87.8	175.1	-174.8	0	0	0	0	0	113.6	T194 F195 S211 H215 F718	T194-A213 CarbonylContact O-C 3.22Å; T194-A213 VanDerWaalsContact O-C 3.22Å; T194-A213 WeakPolarHBondContact O-CA 3.26Å; F195-A213 HydrophobicContact CD1-CB 4.07Å; F195-A213 HydrophobicContact CE1-CB 3.62Å; F195-A213 HydrophobicContact CZ-CB 4.49Å; S211-A213 WeakPolarHBondContact OG-CB 3.35Å; S211-A213 PolarHBondContact OG-N 2.7Å; A213-H215 PolarHBondContact O-CE1 2.95Å; A213-H215 PolarHBondContact O-ND1 3.23Å; A213-H215 VanDerWaalsContact O-ND1 3.12Å; A213-F718 WeakPolarHBondContact O-CE2 3.34Å
214	G	49.1	Very low	76.9	Confident	24 Å²	24	30.7 Å²	30.7	25%	0.247	16%	0.161	C	C	.	.			trans	-50.5	153.2	-169.5	0	0	0	0	0	117.5	T194	T194-G214 PolarHBondContact O-N 2.89Å
215	H	62.8	Low	77.7	Confident	23 Å²	23	30.5 Å²	30.5	11%	0.106	16%	0.16	C	C	.	.			trans	-131.7	-176.3	171.3	-46	-24.6	0	0	0	108.5	E207 I208 A213 V219 F717 F718	E207-H215 HydrophobicContact CG-CB 3.87Å; E207-H215 VanDerWaalsContact CG-CG 3.45Å; E207-H215 WeakPolarHBondContact CG-ND1 3.47Å; E207-H215 PolarHBondContact O-CE1 2.88Å; I208-H215 WeakPolarHBondContact CA-NE2 3.21Å; I208-H215 WeakPolarHBondContact CG1-CD2 2.6Å; I208-H215 WeakPolarHBondContact CG1-NE2 3.24Å; I208-H215 PolarHBondContact N-CE1 3.16Å; I208-H215 PolarHBondContact N-NE2 3.46Å; A213-H215 PolarHBondContact O-CE1 2.95Å; A213-H215 PolarHBondContact O-ND1 3.23Å; A213-H215 VanDerWaalsContact O-ND1 3.12Å; H215-V219 HydrophobicContact CB-CG1 3.63Å; H215-F717 HydrophobicContact CB-CD2 4.41Å; H215-F717 HydrophobicContact CB-CE2 3.79Å; H215-F717 HydrophobicContact CB-CZ 4.06Å; H215-F717 VanDerWaalsContact O-CD2 3.3Å; H215-F717 WeakPolarHBondContact O-CD2 3.12Å; H215-F717 WeakPolarHBondContact O-CE2 3.49Å; H215-F718 HydrophobicContact CB-CE1 4.08Å; H215-F718 HydrophobicContact CB-CZ 3.98Å; H215-F718 AromaticContact CD2-CE1 3.17Å; H215-F718 WeakPolarHBondContact CD2-CE1 3.19Å; H215-F718 AromaticContact CD2-CZ 3.22Å; H215-F718 WeakPolarHBondContact CD2-CZ 3.47Å; H215-F718 AromaticContact CE1-CZ 3.63Å; H215-F718 AromaticContact CG-CE1 3.72Å; H215-F718 AromaticContact CG-CZ 3.44Å; H215-F718 VanDerWaalsContact CG-CZ 3.44Å; H215-F718 AromaticContact ND1-CZ 3.71Å; H215-F718 AromaticContact NE2-CE1 3.59Å; H215-F718 AromaticContact NE2-CZ 3.31Å; H215-F718 VanDerWaalsContact NE2-CZ 3.31Å; H215-F718 WeakPolarHBondContact NE2-CZ 3.22Å
216	G	73.6	Confident	78.1	Confident	33 Å²	33	30.5 Å²	30.5	34%	0.34	16%	0.16	S	C	.	.			trans	-117.2	-178.1	171.5	0	0	0	0	0	113.5	A218 V219 F717	G216-A218 PolarHBondContact O-N 3.4Å; G216-V219 PolarHBondContact O-N 2.9Å; G216-V219 VanDerWaalsContact O-N 3.12Å; G216-F717 WeakPolarHBondContact O-CE2 3.43Å; G216-F717 WeakPolarHBondContact O-CZ 3.35Å
217	K	83	Confident	78.3	Confident	90 Å²	90	30.5 Å²	30.5	39%	0.391	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-23.9	168.4	-71	171.6	-176.3	-179.9	0	113	H153 I158 V219 D220	H153-K217 HydrophobicContact CB-CD 4.02Å; H153-K217 WeakPolarHBondContact O-CE 3.42Å; H153-K217 PolarHBondContact O-NZ 3.18Å; I158-K217 HydrophobicContact CD1-CG 4.07Å; I158-K217 HydrophobicContact CG1-CG 4.09Å; K217-V219 PolarHBondContact O-N 3.33Å; K217-D220 PolarHBondContact O-N 2.77Å; K217-D220 VanDerWaalsContact O-N 3.11Å
218	A	89.3	Confident	78.9	Confident	7 Å²	7	29.7 Å²	29.7	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-43.8	-26.6	168.9	0	0	0	0	0	116.5	G216 W221 W222 P281 R284 A287	G216-A218 PolarHBondContact O-N 3.4Å; A218-W221 PolarHBondContact O-N 2.81Å; A218-W222 PolarHBondContact O-N 3.2Å; A218-P281 HydrophobicContact CB-CB 4.19Å; A218-R284 WeakPolarHBondContact O-CD 3.3Å; A218-R284 PolarHBondContact O-NH1 2.7Å; A218-A287 HydrophobicContact CB-CB 3.61Å
219	V	88.1	Confident	79.5	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-38.1	178.1	-55.5	0	0	0	0	112.1	I158 A205 E207 I208 H215 G216 K217 W221 W222 S223 F717	I158-V219 HydrophobicContact CG2-CG2 4.1Å; A205-V219 HydrophobicContact CB-CB 4.28Å; A205-V219 HydrophobicContact CB-CG1 4.15Å; E207-V219 HydrophobicContact CG-CG1 4.33Å; I208-V219 HydrophobicContact CD1-CB 4.17Å; I208-V219 HydrophobicContact CD1-CG1 4.03Å; I208-V219 HydrophobicContact CG1-CG1 4.25Å; H215-V219 HydrophobicContact CB-CG1 3.63Å; G216-V219 PolarHBondContact O-N 2.9Å; G216-V219 VanDerWaalsContact O-N 3.12Å; K217-V219 PolarHBondContact O-N 3.33Å; V219-W221 VanDerWaalsContact C-N 3.29Å; V219-W221 PolarHBondContact O-N 2.91Å; V219-W222 WeakPolarHBondContact O-CB 3.12Å; V219-W222 PolarHBondContact O-N 2.77Å; V219-S223 PolarHBondContact O-N 2.9Å; V219-S223 PolarHBondContact O-OG 3.03Å; V219-S223 VanDerWaalsContact O-OG 3.14Å; V219-F717 HydrophobicContact CG1-CZ 4.11Å; V219-F717 HydrophobicContact CG2-CE1 3.94Å; V219-F717 HydrophobicContact CG2-CZ 3.63Å
220	D	91.3	Very high	80.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.8	-30.9	-179.2	-67.1	-21.1	0	0	0	110.8	L149 H153 I158 Y159 R160 K217 S223 L224	L149-D220 HydrophobicContact CD1-CB 4.15Å; L149-D220 HydrophobicContact CD2-CB 3.93Å; H153-D220 IonicContact CD2-OD2 3.74Å; H153-D220 IonicContact CE1-OD2 2.76Å; H153-D220 IonicContact NE2-OD2 3.2Å; H153-D220 PolarHBondContact NE2-OD2 3.05Å; I158-D220 WeakPolarHBondContact CG2-OD2 3.39Å; Y159-D220 PolarHBondContact N-OD2 3.14Å; R160-D220 WeakPolarHBondContact CA-OD1 3.39Å; R160-D220 PolarHBondContact N-OD1 3.17Å; K217-D220 PolarHBondContact O-N 2.77Å; K217-D220 VanDerWaalsContact O-N 3.11Å; D220-S223 PolarHBondContact O-N 3.2Å; D220-L224 WeakPolarHBondContact O-CB 3.47Å; D220-L224 PolarHBondContact O-N 2.89Å
221	W	95.6	Very high	81	Confident	1 Å²	1	21 Å²	21	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-70.8	-32.1	172.6	-55.1	134.5	0	0	0	113.2	V146 L149 H153 A218 V219 L224 G225 L276 G286 A292 V295	V146-W221 HydrophobicContact CG2-CZ3 4.1Å; L149-W221 HydrophobicContact CB-CH2 3.82Å; L149-W221 HydrophobicContact CB-CZ3 3.89Å; L149-W221 HydrophobicContact CD1-CE3 3.88Å; L149-W221 HydrophobicContact CD1-CH2 4.33Å; L149-W221 HydrophobicContact CD1-CZ3 3.6Å; L149-W221 HydrophobicContact CG-CZ3 4.43Å; H153-W221 AromaticContact CE1-CE2 3.86Å; H153-W221 AromaticContact CE1-CZ2 3.81Å; H153-W221 AromaticContact ND1-CE2 3.93Å; H153-W221 AromaticContact ND1-CZ2 3.56Å; A218-W221 PolarHBondContact O-N 2.81Å; V219-W221 VanDerWaalsContact C-N 3.29Å; V219-W221 PolarHBondContact O-N 2.91Å; W221-L224 HydrophobicContact CE3-CD2 3.8Å; W221-L224 HydrophobicContact CZ3-CD2 4.09Å; W221-G225 PolarHBondContact O-N 2.81Å; W221-L276 HydrophobicContact CB-CD2 4.06Å; W221-G286 VanDerWaalsContact NE1-C 3.33Å; W221-G286 PolarHBondContact NE1-O 2.92Å; W221-A292 HydrophobicContact CH2-CB 3.58Å; W221-A292 HydrophobicContact CZ2-CB 3.67Å; W221-V295 HydrophobicContact CD2-CG2 4.18Å; W221-V295 HydrophobicContact CE3-CG2 4.06Å; W221-V295 HydrophobicContact CZ3-CG2 4.33Å
222	W	94.1	Very high	82.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-48.9	168.6	173.1	-80.9	0	0	0	110.6	Y203 M204 A205 P206 A218 V219 L224 G225 I226 F238 I254 L277 K279	Y203-W222 VanDerWaalsContact O-CD1 3.31Å; M204-W222 PolarHBondContact O-NE1 2.79Å; M204-W222 VanDerWaalsContact O-NE1 3.16Å; A205-W222 VanDerWaalsContact CA-CD1 3.44Å; A205-W222 HydrophobicContact CB-CB 3.77Å; A205-W222 HydrophobicContact CB-CD2 4.21Å; A205-W222 HydrophobicContact CB-CG 3.67Å; P206-W222 VanDerWaalsContact CD-CE3 3.47Å; P206-W222 VanDerWaalsContact CD-CZ3 3.46Å; P206-W222 HydrophobicContact CG-CE3 4.12Å; P206-W222 HydrophobicContact CG-CH2 3.51Å; P206-W222 HydrophobicContact CG-CZ2 4Å; P206-W222 HydrophobicContact CG-CZ3 3.56Å; A218-W222 PolarHBondContact O-N 3.2Å; V219-W222 WeakPolarHBondContact O-CB 3.12Å; V219-W222 PolarHBondContact O-N 2.77Å; W222-L224 VanDerWaalsContact C-N 3.25Å; W222-L224 PolarHBondContact O-N 2.89Å; W222-G225 CarbonylContact O-C 3.56Å; W222-G225 WeakPolarHBondContact O-CA 3.04Å; W222-G225 PolarHBondContact O-N 2.83Å; W222-I226 HydrophobicContact CZ2-CD1 4.16Å; W222-I226 WeakPolarHBondContact O-CG1 3.14Å; W222-I226 PolarHBondContact O-N 3.17Å; W222-F238 AromaticContact CH2-CE2 3.98Å; W222-F238 HydrophobicContact CH2-CE2 3.98Å; W222-F238 HydrophobicContact CH2-CZ 4.02Å; W222-F238 HydrophobicContact CZ2-CD2 4.4Å; W222-F238 AromaticContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CZ 4.06Å; W222-I254 HydrophobicContact CH2-CG2 4.33Å; W222-I254 HydrophobicContact CZ2-CG2 3.81Å; W222-L277 HydrophobicContact CD2-CD2 3.86Å; W222-L277 HydrophobicContact CE3-CB 4.42Å; W222-L277 HydrophobicContact CE3-CD2 4.06Å; W222-L277 HydrophobicContact CG-CD2 4.38Å; W222-L277 HydrophobicContact CH2-CB 4.37Å; W222-L277 HydrophobicContact CH2-CD2 4.28Å; W222-L277 HydrophobicContact CZ2-CD2 4.09Å; W222-L277 VanDerWaalsContact CZ3-C 3.42Å; W222-L277 HydrophobicContact CZ3-CB 4.1Å; W222-L277 HydrophobicContact CZ3-CD2 4.28Å; W222-L277 VanDerWaalsContact CZ3-O 3.23Å; W222-L277 WeakPolarHBondContact CZ3-O 3.46Å; W222-K279 HydrophobicContact CZ3-CG 4.44Å
223	S	92	Very high	84.3	Confident	6 Å²	6	12.3 Å²	12.3	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-36.3	178.4	-54.1	0	0	0	0	112.2	Y203 V219 D220 I226 L227	Y203-S223 PolarHBondContact O-OG 3.27Å; V219-S223 PolarHBondContact O-N 2.9Å; V219-S223 PolarHBondContact O-OG 3.03Å; V219-S223 VanDerWaalsContact O-OG 3.14Å; D220-S223 PolarHBondContact O-N 3.2Å; S223-I226 PolarHBondContact O-N 3.25Å; S223-L227 WeakPolarHBondContact O-CB 3.26Å; S223-L227 PolarHBondContact O-N 2.84Å
224	L	96.5	Very high	86.2	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-46.3	169.3	178.5	67.1	0	0	0	111	I145 V146 L162 D220 W221 W222 I226 L227 L228 L276 V295	I145-L224 HydrophobicContact CB-CD1 4.12Å; I145-L224 HydrophobicContact CD1-CD1 4.48Å; I145-L224 HydrophobicContact CG2-CD1 3.77Å; V146-L224 HydrophobicContact CG2-CD2 3.61Å; L162-L224 HydrophobicContact CD2-CB 4.04Å; L162-L224 HydrophobicContact CD2-CD1 4.45Å; D220-L224 WeakPolarHBondContact O-CB 3.47Å; D220-L224 PolarHBondContact O-N 2.89Å; W221-L224 HydrophobicContact CE3-CD2 3.8Å; W221-L224 HydrophobicContact CZ3-CD2 4.09Å; W222-L224 VanDerWaalsContact C-N 3.25Å; W222-L224 PolarHBondContact O-N 2.89Å; L224-I226 VanDerWaalsContact C-N 3.29Å; L224-I226 PolarHBondContact O-N 3.01Å; L224-L227 PolarHBondContact O-N 2.79Å; L224-L228 HydrophobicContact CD1-CD1 3.94Å; L224-L228 HydrophobicContact CD1-CD2 4.12Å; L224-L228 HydrophobicContact CD1-CG 3.83Å; L224-L228 HydrophobicContact CD2-CD1 4.4Å; L224-L228 HydrophobicContact CG-CD1 3.83Å; L224-L228 HydrophobicContact CG-CG 4.1Å; L224-L228 WeakPolarHBondContact O-CB 2.93Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.34Å; L224-L276 HydrophobicContact CD2-CD1 4.32Å; L224-L276 HydrophobicContact CG-CD1 4.31Å; L224-V295 HydrophobicContact CD2-CG1 4.27Å
225	G	96	Very high	87.4	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-38.4	174.8	0	0	0	0	0	113.7	W221 W222 F229 L273	W221-G225 PolarHBondContact O-N 2.81Å; W222-G225 CarbonylContact O-C 3.56Å; W222-G225 WeakPolarHBondContact O-CA 3.04Å; W222-G225 PolarHBondContact O-N 2.83Å; G225-F229 WeakPolarHBondContact O-CB 3.43Å; G225-F229 PolarHBondContact O-N 3.41Å; G225-F229 VanDerWaalsContact O-N 3.16Å; G225-L273 WeakPolarHBondContact O-CD2 3.5Å
226	I	92.3	Very high	88.3	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-49.9	174.4	-59.3	-68.7	0	0	0	110.2	Y203 W222 S223 L224 F229 E230 P237 F238 L277	Y203-I226 HydrophobicContact CD1-CB 3.87Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CE1-CB 4.42Å; Y203-I226 HydrophobicContact CE1-CG2 3.75Å; Y203-I226 HydrophobicContact CG-CG2 4.07Å; W222-I226 HydrophobicContact CZ2-CD1 4.16Å; W222-I226 WeakPolarHBondContact O-CG1 3.14Å; W222-I226 PolarHBondContact O-N 3.17Å; S223-I226 PolarHBondContact O-N 3.25Å; L224-I226 VanDerWaalsContact C-N 3.29Å; L224-I226 PolarHBondContact O-N 3.01Å; I226-F229 WeakPolarHBondContact O-CB 3.48Å; I226-F229 PolarHBondContact O-N 2.73Å; I226-E230 PolarHBondContact O-N 2.8Å; I226-P237 HydrophobicContact CD1-CG 3.58Å; I226-P237 HydrophobicContact CG2-CG 4.49Å; I226-F238 HydrophobicContact CD1-CD2 3.82Å; I226-F238 HydrophobicContact CD1-CE2 3.65Å; I226-L277 HydrophobicContact CD1-CD2 3.56Å; I226-L277 HydrophobicContact CG1-CD2 3.85Å
227	L	92.3	Very high	88.6	Confident	0 Å²	0	12 Å²	12	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-42.8	-177	-172.4	150.4	0	0	0	112.1	I145 L162 L164 V167 Y203 S223 L224 F229 E230 L231	I145-L227 HydrophobicContact CD1-CD2 3.65Å; L162-L227 HydrophobicContact CD1-CD1 3.88Å; L162-L227 HydrophobicContact CG-CD1 3.95Å; L164-L227 HydrophobicContact CD2-CD1 4.28Å; L164-L227 HydrophobicContact CD2-CD2 4.45Å; L164-L227 HydrophobicContact CD2-CG 3.94Å; L164-L227 HydrophobicContact CG-CG 4.41Å; V167-L227 HydrophobicContact CG2-CD1 3.74Å; Y203-L227 HydrophobicContact CE1-CB 4.39Å; S223-L227 WeakPolarHBondContact O-CB 3.26Å; S223-L227 PolarHBondContact O-N 2.84Å; L224-L227 PolarHBondContact O-N 2.79Å; L227-F229 VanDerWaalsContact C-N 3.34Å; L227-F229 PolarHBondContact O-N 3.13Å; L227-E230 PolarHBondContact O-N 2.79Å; L227-L231 HydrophobicContact CD2-CD1 3.64Å; L227-L231 HydrophobicContact CD2-CG 3.97Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.68Å
228	L	95.5	Very high	88.5	Confident	1 Å²	1	7.8 Å²	7.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-65.3	-37	175.5	-63.9	179.2	0	0	0	111.7	V138 L224 L232 L272 L273 L276	V138-L228 HydrophobicContact CG1-CB 4.34Å; V138-L228 HydrophobicContact CG1-CD2 3.62Å; L224-L228 HydrophobicContact CD1-CD1 3.94Å; L224-L228 HydrophobicContact CD1-CD2 4.12Å; L224-L228 HydrophobicContact CD1-CG 3.83Å; L224-L228 HydrophobicContact CD2-CD1 4.4Å; L224-L228 HydrophobicContact CG-CD1 3.83Å; L224-L228 HydrophobicContact CG-CG 4.1Å; L224-L228 WeakPolarHBondContact O-CB 2.93Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.34Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CD1 3.29Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.11Å; L228-L272 HydrophobicContact CD1-CD2 4.01Å; L228-L273 HydrophobicContact CB-CD2 3.86Å; L228-L276 HydrophobicContact CD1-CD1 3.97Å
229	F	90.9	Very high	87.6	Confident	6 Å²	6	8.3 Å²	8.3	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-44.9	172.2	-175.6	-75.3	0	0	0	110.9	G225 I226 L227 L232 T233 A235 P237 P259 P260 F261 I265 L273	G225-F229 WeakPolarHBondContact O-CB 3.43Å; G225-F229 PolarHBondContact O-N 3.41Å; G225-F229 VanDerWaalsContact O-N 3.16Å; I226-F229 WeakPolarHBondContact O-CB 3.48Å; I226-F229 PolarHBondContact O-N 2.73Å; L227-F229 VanDerWaalsContact C-N 3.34Å; L227-F229 PolarHBondContact O-N 3.13Å; F229-L232 PolarHBondContact O-N 3.11Å; F229-T233 HydrophobicContact CD1-CG2 4.07Å; F229-T233 WeakPolarHBondContact CD1-OG1 3.4Å; F229-T233 HydrophobicContact CE1-CG2 3.76Å; F229-T233 WeakPolarHBondContact CE1-OG1 3.42Å; F229-T233 HydrophobicContact CE2-CG2 4.45Å; F229-T233 HydrophobicContact CZ-CG2 3.97Å; F229-T233 WeakPolarHBondContact O-CB 3.35Å; F229-T233 WeakPolarHBondContact O-CG2 2.96Å; F229-T233 PolarHBondContact O-N 3.49Å; F229-T233 PolarHBondContact O-OG1 3.36Å; F229-A235 WeakPolarHBondContact CD1-O 3.49Å; F229-A235 VanDerWaalsContact CE1-O 3.24Å; F229-A235 WeakPolarHBondContact CE1-O 3.28Å; F229-P237 HydrophobicContact CB-CG 4.29Å; F229-P237 HydrophobicContact CD1-CB 3.71Å; F229-P237 HydrophobicContact CD1-CG 3.91Å; F229-P237 HydrophobicContact CD2-CB 3.95Å; F229-P237 HydrophobicContact CD2-CG 4.47Å; F229-P237 HydrophobicContact CE1-CB 3.71Å; F229-P237 HydrophobicContact CE1-CG 4.38Å; F229-P237 HydrophobicContact CE2-CB 3.95Å; F229-P237 HydrophobicContact CG-CB 3.85Å; F229-P237 HydrophobicContact CG-CG 3.98Å; F229-P237 HydrophobicContact CZ-CB 3.84Å; F229-P259 HydrophobicContact CE2-CB 4.38Å; F229-P260 VanDerWaalsContact CE2-O 3.29Å; F229-P260 WeakPolarHBondContact CE2-O 3.13Å; F229-P260 WeakPolarHBondContact CZ-O 3.41Å; F229-F261 HydrophobicContact CD2-CE1 4.34Å; F229-F261 HydrophobicContact CE2-CD1 4.27Å; F229-F261 HydrophobicContact CE2-CE1 4.33Å; F229-I265 HydrophobicContact CE2-CD1 4.41Å; F229-L273 HydrophobicContact CB-CD1 4.4Å; F229-L273 HydrophobicContact CB-CD2 4.06Å; F229-L273 HydrophobicContact CD2-CD1 4.11Å
230	E	86.4	Confident	86.5	Confident	6 Å²	6	11 Å²	11	3%	0.028	8%	0.077	C	C	.	.	H	α-helix	trans	-65.3	-43.6	177.9	-75.2	-172.8	129.1	0	0	112.4	L127 L164 Y203 I226 L227 L232 T233 G234 A235 S236	L127-E230 HydrophobicContact CD2-CB 4.28Å; L164-E230 HydrophobicContact CD1-CB 4.04Å; Y203-E230 WeakPolarHBondContact CE1-OE2 3.49Å; Y203-E230 PolarHBondContact OH-OE2 2.89Å; I226-E230 PolarHBondContact O-N 2.8Å; L227-E230 PolarHBondContact O-N 2.79Å; E230-L232 VanDerWaalsContact C-N 3.26Å; E230-L232 PolarHBondContact O-N 2.87Å; E230-T233 PolarHBondContact O-N 3.28Å; E230-G234 WeakPolarHBondContact O-CA 3.39Å; E230-G234 PolarHBondContact O-N 2.81Å; E230-A235 WeakPolarHBondContact CG-O 3.32Å; E230-S236 WeakPolarHBondContact OE1-CA 3.38Å; E230-S236 VanDerWaalsContact OE1-CB 3.31Å; E230-S236 WeakPolarHBondContact OE1-CB 3.36Å; E230-S236 PolarHBondContact OE1-N 2.89Å
231	L	89.6	Confident	84.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.3	-38.3	174.7	-68.1	-178.8	0	0	0	111.9	M123 F133 V138 L164 L227	M123-L231 HydrophobicContact CE-CD1 4.14Å; M123-L231 HydrophobicContact CE-CD2 3.83Å; M123-L231 HydrophobicContact CG-CD2 3.9Å; M123-L231 HydrophobicContact SD-CD2 4.06Å; F133-L231 HydrophobicContact CD2-CB 4.16Å; F133-L231 HydrophobicContact CD2-CD2 3.71Å; F133-L231 HydrophobicContact CD2-CG 4.48Å; F133-L231 HydrophobicContact CE2-CD2 3.7Å; F133-L231 PolarHBondContact N-O 3.36Å; V138-L231 HydrophobicContact CG2-CB 3.85Å; L164-L231 HydrophobicContact CD2-CD2 3.72Å; L164-L231 HydrophobicContact CD2-CG 4.29Å; L227-L231 HydrophobicContact CD2-CD1 3.64Å; L227-L231 HydrophobicContact CD2-CG 3.97Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.68Å
232	L	89.9	Confident	82.6	Confident	7 Å²	7	22.1 Å²	22.1	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-73.9	-31.4	178.3	-72.3	166.6	0	0	0	113.3	E135 V138 L228 F229 E230 R264 A269 L273	E135-L232 HydrophobicContact CB-CD2 4.45Å; E135-L232 HydrophobicContact CG-CD2 3.63Å; V138-L232 HydrophobicContact CB-CD2 4.06Å; V138-L232 HydrophobicContact CB-CG 4.36Å; V138-L232 HydrophobicContact CG1-CD1 4.39Å; V138-L232 HydrophobicContact CG1-CD2 4.28Å; V138-L232 HydrophobicContact CG1-CG 4.07Å; V138-L232 HydrophobicContact CG2-CD2 3.76Å; V138-L232 HydrophobicContact CG2-CG 4.03Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CD1 3.29Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.11Å; F229-L232 PolarHBondContact O-N 3.11Å; E230-L232 VanDerWaalsContact C-N 3.26Å; E230-L232 PolarHBondContact O-N 2.87Å; L232-R264 PolarHBondContact O-NH1 3.34Å; L232-R264 PolarHBondContact O-NH2 3.43Å; L232-A269 HydrophobicContact CD1-CB 4.33Å; L232-L273 HydrophobicContact CD1-CD1 3.93Å
233	T	83.3	Confident	81	Confident	27 Å²	27	26.3 Å²	26.3	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-116.3	-24	-167.2	62.5	0	0	0	0	116.3	F229 E230 A235 P262 I265	F229-T233 HydrophobicContact CD1-CG2 4.07Å; F229-T233 WeakPolarHBondContact CD1-OG1 3.4Å; F229-T233 HydrophobicContact CE1-CG2 3.76Å; F229-T233 WeakPolarHBondContact CE1-OG1 3.42Å; F229-T233 HydrophobicContact CE2-CG2 4.45Å; F229-T233 HydrophobicContact CZ-CG2 3.97Å; F229-T233 WeakPolarHBondContact O-CB 3.35Å; F229-T233 WeakPolarHBondContact O-CG2 2.96Å; F229-T233 PolarHBondContact O-N 3.49Å; F229-T233 PolarHBondContact O-OG1 3.36Å; E230-T233 PolarHBondContact O-N 3.28Å; T233-A235 VanDerWaalsContact C-N 3.33Å; T233-A235 PolarHBondContact OG1-N 3.23Å; T233-A235 PolarHBondContact OG1-O 3.13Å; T233-P262 HydrophobicContact CG2-CG 4.2Å; T233-I265 HydrophobicContact CG2-CD1 3.77Å; T233-I265 HydrophobicContact CG2-CG1 4.41Å
234	G	77.8	Confident	79.5	Confident	43 Å²	43	36.3 Å²	36.3	44%	0.443	21%	0.207	S	C	.	.	S	Bend	trans	79.1	6.2	-168.5	0	0	0	0	0	115	Q131 E230	Q131-G234 WeakPolarHBondContact O-CA 3.32Å; E230-G234 WeakPolarHBondContact O-CA 3.39Å; E230-G234 PolarHBondContact O-N 2.81Å
235	A	75.8	Confident	78	Confident	47 Å²	47	39.4 Å²	39.4	39%	0.388	22%	0.224	S	C	.	.	S	Bend	trans	-144.1	145.1	-174.6	0	0	0	0	0	113.3	F229 E230 T233	F229-A235 WeakPolarHBondContact CD1-O 3.49Å; F229-A235 VanDerWaalsContact CE1-O 3.24Å; F229-A235 WeakPolarHBondContact CE1-O 3.28Å; E230-A235 WeakPolarHBondContact CG-O 3.32Å; T233-A235 VanDerWaalsContact C-N 3.33Å; T233-A235 PolarHBondContact OG1-N 3.23Å; T233-A235 PolarHBondContact OG1-O 3.13Å
236	S	80.5	Confident	76.6	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.021	25%	0.246	C	C	.	.			trans	-70.6	133.7	176.5	170.5	0	0	0	0	111	E230 F238 T239	E230-S236 WeakPolarHBondContact OE1-CA 3.38Å; E230-S236 VanDerWaalsContact OE1-CB 3.31Å; E230-S236 WeakPolarHBondContact OE1-CB 3.36Å; E230-S236 PolarHBondContact OE1-N 2.89Å; S236-F238 PolarHBondContact O-N 3.5Å; S236-T239 WeakPolarHBondContact CB-OG1 3.33Å; S236-T239 PolarHBondContact O-N 3.47Å; S236-T239 VanDerWaalsContact O-N 3.16Å; S236-T239 PolarHBondContact O-OG1 2.93Å
237	P	81.4	Confident	75.1	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.026	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.7	-174.3	22.7	-31.1	0	0	0	114.5	I226 F229 P259 P260 L277	I226-P237 HydrophobicContact CD1-CG 3.58Å; I226-P237 HydrophobicContact CG2-CG 4.49Å; F229-P237 HydrophobicContact CB-CG 4.29Å; F229-P237 HydrophobicContact CD1-CB 3.71Å; F229-P237 HydrophobicContact CD1-CG 3.91Å; F229-P237 HydrophobicContact CD2-CB 3.95Å; F229-P237 HydrophobicContact CD2-CG 4.47Å; F229-P237 HydrophobicContact CE1-CB 3.71Å; F229-P237 HydrophobicContact CE1-CG 4.38Å; F229-P237 HydrophobicContact CE2-CB 3.95Å; F229-P237 HydrophobicContact CG-CB 3.85Å; F229-P237 HydrophobicContact CG-CG 3.98Å; F229-P237 HydrophobicContact CZ-CB 3.84Å; P237-P259 HydrophobicContact CB-CB 3.78Å; P237-P260 WeakPolarHBondContact O-CD 3.4Å; P237-L277 HydrophobicContact CG-CD1 4.33Å
238	F	80.4	Confident	74.1	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	6	-179	-58.6	-67.3	0	0	0	113.9	W222 I226 S236 V250 R253 I254 C257 P259	W222-F238 AromaticContact CH2-CE2 3.98Å; W222-F238 HydrophobicContact CH2-CE2 3.98Å; W222-F238 HydrophobicContact CH2-CZ 4.02Å; W222-F238 HydrophobicContact CZ2-CD2 4.4Å; W222-F238 AromaticContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CZ 4.06Å; I226-F238 HydrophobicContact CD1-CD2 3.82Å; I226-F238 HydrophobicContact CD1-CE2 3.65Å; S236-F238 PolarHBondContact O-N 3.5Å; F238-V250 HydrophobicContact CB-CG1 4.36Å; F238-R253 HydrophobicContact CB-CB 4.24Å; F238-R253 HydrophobicContact CD1-CB 4.05Å; F238-R253 PolarHBondContact O-NH1 3.33Å; F238-I254 HydrophobicContact CB-CD1 4.49Å; F238-I254 HydrophobicContact CB-CG1 3.74Å; F238-I254 HydrophobicContact CD1-CG1 4.25Å; F238-I254 HydrophobicContact CD2-CD1 4.47Å; F238-I254 HydrophobicContact CD2-CG1 3.53Å; F238-I254 HydrophobicContact CE2-CG1 4.21Å; F238-I254 HydrophobicContact CG-CB 4.49Å; F238-I254 HydrophobicContact CG-CG1 3.55Å; F238-C257 WeakPolarHBondContact CE1-O 3.01Å; F238-P259 HydrophobicContact CE1-CB 4.5Å; F238-P259 HydrophobicContact CZ-CB 4.22Å
239	T	70.6	Confident	73	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.117	31%	0.308	C	S	.	.			trans	-105.6	123.6	166.7	67	0	0	0	0	110.2	E202 S236 V250	E202-T239 VanDerWaalsContact CD-CG2 3.49Å; E202-T239 HydrophobicContact CG-CG2 3.81Å; S236-T239 WeakPolarHBondContact CB-OG1 3.33Å; S236-T239 PolarHBondContact O-N 3.47Å; S236-T239 VanDerWaalsContact O-N 3.16Å; S236-T239 PolarHBondContact O-OG1 2.93Å; T239-V250 HydrophobicContact CG2-CG2 4.3Å
240	L	64.4	Low	72.1	Confident	58 Å²	58	53.5 Å²	53.5	30%	0.304	31%	0.308	S	S	.	.			trans	-104.4	131.8	179.6	-61.4	177.9	0	0	0	110	E243 N245	L240-E243 HydrophobicContact CB-CB 4.12Å; L240-E243 HydrophobicContact CB-CG 4.11Å; L240-E243 WeakPolarHBondContact CD1-OE1 3.4Å; L240-E243 PolarHBondContact O-N 3.2Å; L240-N245 PolarHBondContact N-OD1 3.41Å; L240-N245 PolarHBondContact O-ND2 3.28Å
241	E	54.8	Low	71.6	Confident	155 Å²	155	54 Å²	54	72%	0.724	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	140.3	174	-70.9	-153.7	130.4	0	0	110.3	E243 K734	E241-E243 PolarHBondContact O-N 3.35Å; E241-K734 IonicContact OE1-NZ 2.83Å; E241-K734 PolarHBondContact OE1-NZ 2.64Å; E241-K734 IonicContact OE2-NZ 3.73Å
242	G	49.4	Very low	71.4	Confident	80 Å²	80	59.4 Å²	59.4	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-20.2	-175.8	0	0	0	0	0	115.8
243	E	61.3	Low	71	Confident	89 Å²	89	59.4 Å²	59.4	42%	0.416	33%	0.332	S	S	.	.	S	Bend	trans	-88.9	164.7	179.1	-71.8	-165.4	-165.4	0	0	114.6	L240 E241 N245 R253	L240-E243 HydrophobicContact CB-CB 4.12Å; L240-E243 HydrophobicContact CB-CG 4.11Å; L240-E243 WeakPolarHBondContact CD1-OE1 3.4Å; L240-E243 PolarHBondContact O-N 3.2Å; E241-E243 PolarHBondContact O-N 3.35Å; E243-N245 PolarHBondContact O-N 3.07Å; E243-R253 IonicContact OE2-CZ 2.86Å; E243-R253 IonicContact OE2-NE 3.95Å; E243-R253 PolarHBondContact OE2-NE 2.7Å; E243-R253 IonicContact OE2-NH2 3.73Å; E243-R253 PolarHBondContact OE2-NH2 2.87Å
244	R	59.6	Low	71.1	Confident	216 Å²	216	58.1 Å²	58.1	82%	0.815	32%	0.324	S	S	*	.			trans	-73.1	89.5	172.5	-65.9	-175.4	-175.8	180	2.6	111	T246 E249	R244-T246 PolarHBondContact O-N 3.48Å; R244-E249 WeakPolarHBondContact O-CB 3.45Å; R244-E249 WeakPolarHBondContact O-CG 3.39Å
245	N	66.2	Low	71.5	Confident	65 Å²	65	58 Å²	58	35%	0.348	31%	0.313	S	S	.	.			trans	-79.4	64.5	173.7	-61.9	-49.5	0	0	0	112.1	L240 E243 V250 R253	L240-N245 PolarHBondContact N-OD1 3.41Å; L240-N245 PolarHBondContact O-ND2 3.28Å; E243-N245 PolarHBondContact O-N 3.07Å; N245-V250 HydrophobicContact CB-CG2 4.12Å; N245-R253 PolarHBondContact OD1-NH1 2.96Å; N245-R253 PolarHBondContact OD1-NH2 2.77Å; N245-R253 VanDerWaalsContact OD1-NH2 3.16Å
246	T	66.5	Low	71.9	Confident	78 Å²	78	63.6 Å²	63.6	48%	0.479	33%	0.329	S	S	.	.			trans	-79.7	159.5	168.9	64.2	0	0	0	0	110.3	R244 A248 E249 V250	R244-T246 PolarHBondContact O-N 3.48Å; T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.08Å; T246-E249 PolarHBondContact O-N 2.83Å; T246-E249 WeakPolarHBondContact OG1-CB 3.34Å; T246-E249 PolarHBondContact OG1-N 3.27Å; T246-V250 WeakPolarHBondContact O-CG2 3.49Å; T246-V250 PolarHBondContact O-N 3.22Å
247	Q	61.3	Low	72.2	Confident	100 Å²	100	65.5 Å²	65.5	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-53.9	-43.6	177.8	-67.9	-169.4	-4.5	0	0	113	I201 E249 S251 E723	I201-Q247 HydrophobicContact CD1-CB 3.68Å; I201-Q247 HydrophobicContact CD1-CG 3.72Å; Q247-E249 VanDerWaalsContact C-N 3.34Å; Q247-E249 PolarHBondContact O-N 3.21Å; Q247-S251 WeakPolarHBondContact O-CB 3.48Å; Q247-S251 PolarHBondContact O-N 3.39Å; Q247-S251 PolarHBondContact O-OG 3.08Å; Q247-E723 VanDerWaalsContact NE2-CD 3.28Å; Q247-E723 PolarHBondContact NE2-OE1 2.99Å
248	A	69.6	Low	72.3	Confident	75 Å²	75	70 Å²	70	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-64.9	-36.2	177.4	0	0	0	0	0	112.5	T246 S251 R252	T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.08Å; A248-S251 WeakPolarHBondContact O-CB 3.33Å; A248-R252 WeakPolarHBondContact O-CB 3.27Å; A248-R252 PolarHBondContact O-N 3.26Å
249	E	73.2	Confident	72.3	Confident	45 Å²	45	70.6 Å²	70.6	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-78.7	-41.4	-178.1	-171.1	56.1	-155.9	0	0	112.2	R244 T246 Q247 S251 R252 R253	R244-E249 WeakPolarHBondContact O-CB 3.45Å; R244-E249 WeakPolarHBondContact O-CG 3.39Å; T246-E249 PolarHBondContact O-N 2.83Å; T246-E249 WeakPolarHBondContact OG1-CB 3.34Å; T246-E249 PolarHBondContact OG1-N 3.27Å; Q247-E249 VanDerWaalsContact C-N 3.34Å; Q247-E249 PolarHBondContact O-N 3.21Å; E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 2.93Å; E249-R252 VanDerWaalsContact CD-NE 3.27Å; E249-R252 WeakPolarHBondContact O-CB 3.38Å; E249-R252 PolarHBondContact O-N 3.45Å; E249-R252 VanDerWaalsContact O-N 3.12Å; E249-R252 IonicContact OE1-CZ 3.14Å; E249-R252 IonicContact OE1-NE 2.82Å; E249-R252 PolarHBondContact OE1-NE 3.49Å; E249-R252 IonicContact OE1-NH2 2.71Å; E249-R252 PolarHBondContact OE1-NH2 3.28Å; E249-R252 IonicContact OE2-CZ 4Å; E249-R252 IonicContact OE2-NE 3.01Å; E249-R252 PolarHBondContact OE2-NE 3.15Å; E249-R253 WeakPolarHBondContact O-CG 3.43Å; E249-R253 PolarHBondContact O-N 3.43Å
250	V	73.1	Confident	72.8	Confident	4 Å²	4	73 Å²	73	2%	0.024	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-43.3	170.3	176.6	0	0	0	0	110.1	I201 E202 F238 T239 N245 T246 R252 R253 I254	I201-V250 HydrophobicContact CG2-CB 4.44Å; I201-V250 HydrophobicContact CG2-CG1 4.1Å; E202-V250 HydrophobicContact CG-CG1 3.81Å; F238-V250 HydrophobicContact CB-CG1 4.36Å; T239-V250 HydrophobicContact CG2-CG2 4.3Å; N245-V250 HydrophobicContact CB-CG2 4.12Å; T246-V250 WeakPolarHBondContact O-CG2 3.49Å; T246-V250 PolarHBondContact O-N 3.22Å; V250-R252 VanDerWaalsContact C-N 3.35Å; V250-R252 PolarHBondContact O-N 3.02Å; V250-R253 PolarHBondContact O-N 2.86Å; V250-I254 HydrophobicContact CG1-CD1 3.88Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 WeakPolarHBondContact O-CG1 3.3Å; V250-I254 PolarHBondContact O-N 3.08Å
251	S	75.8	Confident	73.7	Confident	18 Å²	18	72.4 Å²	72.4	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-56.8	-45.9	171.2	-63.2	0	0	0	0	111.8	Q247 A248 E249 R253 I254 L255	Q247-S251 WeakPolarHBondContact O-CB 3.48Å; Q247-S251 PolarHBondContact O-N 3.39Å; Q247-S251 PolarHBondContact O-OG 3.08Å; A248-S251 WeakPolarHBondContact O-CB 3.33Å; E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 2.93Å; S251-R253 VanDerWaalsContact C-N 3.32Å; S251-R253 PolarHBondContact O-N 3.46Å; S251-I254 PolarHBondContact O-N 2.85Å; S251-L255 WeakPolarHBondContact O-CB 3.02Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.5Å; S251-L255 PolarHBondContact O-N 2.77Å
252	R	83.9	Confident	75	Confident	113 Å²	113	67.3 Å²	67.3	43%	0.426	37%	0.369	S	S	.	.	H	α-helix	trans	-57.3	-43.8	176.3	-169.2	-174.4	75.8	86.6	1.6	111.5	A248 E249 V250 L255 K256	A248-R252 WeakPolarHBondContact O-CB 3.27Å; A248-R252 PolarHBondContact O-N 3.26Å; E249-R252 VanDerWaalsContact CD-NE 3.27Å; E249-R252 WeakPolarHBondContact O-CB 3.38Å; E249-R252 PolarHBondContact O-N 3.45Å; E249-R252 VanDerWaalsContact O-N 3.12Å; E249-R252 IonicContact OE1-CZ 3.14Å; E249-R252 IonicContact OE1-NE 2.82Å; E249-R252 PolarHBondContact OE1-NE 3.49Å; E249-R252 IonicContact OE1-NH2 2.71Å; E249-R252 PolarHBondContact OE1-NH2 3.28Å; E249-R252 IonicContact OE2-CZ 4Å; E249-R252 IonicContact OE2-NE 3.01Å; E249-R252 PolarHBondContact OE2-NE 3.15Å; V250-R252 VanDerWaalsContact C-N 3.35Å; V250-R252 PolarHBondContact O-N 3.02Å; R252-L255 PolarHBondContact O-N 3.46Å; R252-K256 HydrophobicContact CG-CD 4.29Å; R252-K256 WeakPolarHBondContact O-CB 3.28Å; R252-K256 PolarHBondContact O-N 2.9Å
253	R	82.7	Confident	76.3	Confident	7 Å²	7	70.4 Å²	70.4	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-67	-48.3	177.4	-61.3	-164.3	-153.4	99.3	-2.3	111.8	F238 E243 N245 E249 V250 S251 L255 K256 C257	F238-R253 HydrophobicContact CB-CB 4.24Å; F238-R253 HydrophobicContact CD1-CB 4.05Å; F238-R253 PolarHBondContact O-NH1 3.33Å; E243-R253 IonicContact OE2-CZ 2.86Å; E243-R253 IonicContact OE2-NE 3.95Å; E243-R253 PolarHBondContact OE2-NE 2.7Å; E243-R253 IonicContact OE2-NH2 3.73Å; E243-R253 PolarHBondContact OE2-NH2 2.87Å; N245-R253 PolarHBondContact OD1-NH1 2.96Å; N245-R253 PolarHBondContact OD1-NH2 2.77Å; N245-R253 VanDerWaalsContact OD1-NH2 3.16Å; E249-R253 WeakPolarHBondContact O-CG 3.43Å; E249-R253 PolarHBondContact O-N 3.43Å; V250-R253 PolarHBondContact O-N 2.86Å; S251-R253 VanDerWaalsContact C-N 3.32Å; S251-R253 PolarHBondContact O-N 3.46Å; R253-L255 PolarHBondContact O-N 3.14Å; R253-K256 PolarHBondContact O-N 3.29Å; R253-C257 HydrophobicContact CB-CB 4.24Å; R253-C257 WeakPolarHBondContact O-CB 3.45Å; R253-C257 PolarHBondContact O-N 2.58Å
254	I	84.9	Confident	77.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-55.5	-39.1	174.7	-68.4	166.3	0	0	0	111.4	I201 P206 I209 W222 F238 V250 S251 K279	I201-I254 HydrophobicContact CG2-CD1 4.38Å; I201-I254 WeakPolarHBondContact O-CD1 3.42Å; P206-I254 HydrophobicContact CB-CG2 4.42Å; P206-I254 HydrophobicContact CG-CG2 3.85Å; I209-I254 HydrophobicContact CD1-CB 3.9Å; I209-I254 HydrophobicContact CD1-CD1 3.64Å; I209-I254 HydrophobicContact CD1-CG1 4.38Å; I209-I254 HydrophobicContact CD1-CG2 3.64Å; W222-I254 HydrophobicContact CH2-CG2 4.33Å; W222-I254 HydrophobicContact CZ2-CG2 3.81Å; F238-I254 HydrophobicContact CB-CD1 4.49Å; F238-I254 HydrophobicContact CB-CG1 3.74Å; F238-I254 HydrophobicContact CD1-CG1 4.25Å; F238-I254 HydrophobicContact CD2-CD1 4.47Å; F238-I254 HydrophobicContact CD2-CG1 3.53Å; F238-I254 HydrophobicContact CE2-CG1 4.21Å; F238-I254 HydrophobicContact CG-CB 4.49Å; F238-I254 HydrophobicContact CG-CG1 3.55Å; V250-I254 HydrophobicContact CG1-CD1 3.88Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 WeakPolarHBondContact O-CG1 3.3Å; V250-I254 PolarHBondContact O-N 3.08Å; S251-I254 PolarHBondContact O-N 2.85Å; I254-K279 PolarHBondContact O-NZ 3.06Å
255	L	85.9	Confident	78.8	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-77.1	-35.2	179	-67.1	-162.9	0	0	0	114.5	P206 I209 R210 S251 R252 R253	P206-L255 HydrophobicContact CB-CD2 3.82Å; P206-L255 WeakPolarHBondContact O-CD2 3.42Å; I209-L255 HydrophobicContact CB-CD2 3.89Å; I209-L255 HydrophobicContact CB-CG 4.38Å; I209-L255 HydrophobicContact CG2-CD1 3.97Å; I209-L255 HydrophobicContact CG2-CD2 3.97Å; I209-L255 HydrophobicContact CG2-CG 3.89Å; R210-L255 HydrophobicContact CG-CD1 3.94Å; R210-L255 HydrophobicContact CG-CD2 3.62Å; R210-L255 HydrophobicContact CG-CG 4.42Å; S251-L255 WeakPolarHBondContact O-CB 3.02Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.5Å; S251-L255 PolarHBondContact O-N 2.77Å; R252-L255 PolarHBondContact O-N 3.46Å; R253-L255 PolarHBondContact O-N 3.14Å
256	K	85	Confident	80.1	Confident	164 Å²	164	59.6 Å²	59.6	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-119.4	-29.9	-166.6	-60.2	-170.4	176.4	-171.4	0	116.2	R252 R253	R252-K256 HydrophobicContact CG-CD 4.29Å; R252-K256 WeakPolarHBondContact O-CB 3.28Å; R252-K256 PolarHBondContact O-N 2.9Å; R253-K256 PolarHBondContact O-N 3.29Å
257	C	85.6	Confident	81.4	Confident	44 Å²	44	61 Å²	61	30%	0.297	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-96.5	146.3	-175.4	-59.5	0	0	0	0	111.8	F238 R253 K279	F238-C257 WeakPolarHBondContact CE1-O 3.01Å; R253-C257 HydrophobicContact CB-CB 4.24Å; R253-C257 WeakPolarHBondContact O-CB 3.45Å; R253-C257 PolarHBondContact O-N 2.58Å; C257-K279 VanDerWaalsContact O-CE 3.24Å; C257-K279 WeakPolarHBondContact O-CE 3.32Å; C257-K279 PolarHBondContact O-NZ 2.97Å
258	S	83.2	Confident	83.1	Confident	98 Å²	98	59.2 Å²	59.2	69%	0.685	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-75.5	151.4	164.5	-61.8	0	0	0	0	110.4
259	P	81.4	Confident	84.4	Confident	15 Å²	15	55.7 Å²	55.7	10%	0.097	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.1	139	171.8	27.2	-35.1	0	0	0	110.7	F229 P237 F238 F261 L277	F229-P259 HydrophobicContact CE2-CB 4.38Å; P237-P259 HydrophobicContact CB-CB 3.78Å; F238-P259 HydrophobicContact CE1-CB 4.5Å; F238-P259 HydrophobicContact CZ-CB 4.22Å; P259-F261 HydrophobicContact CB-CE2 4.49Å; P259-F261 HydrophobicContact CB-CZ 4.26Å; P259-F261 HydrophobicContact CG-CE1 4.49Å; P259-F261 HydrophobicContact CG-CE2 3.8Å; P259-F261 HydrophobicContact CG-CZ 3.6Å; P259-F261 WeakPolarHBondContact O-CD2 3.45Å; P259-F261 WeakPolarHBondContact O-CE2 3.42Å; P259-L277 HydrophobicContact CB-CD1 4.02Å; P259-L277 HydrophobicContact CG-CB 4.37Å; P259-L277 HydrophobicContact CG-CD1 3.92Å
260	P	81.2	Confident	85.5	Confident	68 Å²	68	56.6 Å²	56.6	44%	0.442	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-81.9	120.2	178.2	31.6	-31.3	0	0	0	110.4	F229 P237 P262	F229-P260 VanDerWaalsContact CE2-O 3.29Å; F229-P260 WeakPolarHBondContact CE2-O 3.13Å; F229-P260 WeakPolarHBondContact CZ-O 3.41Å; P237-P260 WeakPolarHBondContact O-CD 3.4Å; P260-P262 WeakPolarHBondContact O-CD 3.36Å
261	F	83.3	Confident	86.6	Confident	46 Å²	46	58.6 Å²	58.6	20%	0.202	32%	0.324	C	S	.	.			trans	-93.6	114.3	178.4	-64.3	-74.8	0	0	0	111	F229 P259 I265 Q270 L273 Q274	F229-F261 HydrophobicContact CD2-CE1 4.34Å; F229-F261 HydrophobicContact CE2-CD1 4.27Å; F229-F261 HydrophobicContact CE2-CE1 4.33Å; P259-F261 HydrophobicContact CB-CE2 4.49Å; P259-F261 HydrophobicContact CB-CZ 4.26Å; P259-F261 HydrophobicContact CG-CE1 4.49Å; P259-F261 HydrophobicContact CG-CE2 3.8Å; P259-F261 HydrophobicContact CG-CZ 3.6Å; P259-F261 WeakPolarHBondContact O-CD2 3.45Å; P259-F261 WeakPolarHBondContact O-CE2 3.42Å; F261-I265 HydrophobicContact CD1-CD1 4.12Å; F261-Q270 HydrophobicContact CB-CG 4.31Å; F261-Q270 HydrophobicContact CD1-CB 4.27Å; F261-Q270 HydrophobicContact CD1-CG 3.79Å; F261-Q270 HydrophobicContact CD2-CG 3.97Å; F261-Q270 HydrophobicContact CE1-CG 4.09Å; F261-Q270 HydrophobicContact CE2-CG 4.24Å; F261-Q270 HydrophobicContact CG-CG 3.73Å; F261-Q270 HydrophobicContact CZ-CG 4.3Å; F261-L273 HydrophobicContact CD1-CD1 4.49Å; F261-L273 HydrophobicContact CE1-CB 3.67Å; F261-L273 HydrophobicContact CE1-CD1 4Å; F261-L273 HydrophobicContact CZ-CB 4.17Å; F261-Q274 HydrophobicContact CD2-CG 4.49Å; F261-Q274 HydrophobicContact CE1-CG 4.45Å; F261-Q274 HydrophobicContact CE2-CG 3.45Å; F261-Q274 VanDerWaalsContact CE2-CG 3.45Å; F261-Q274 HydrophobicContact CZ-CG 3.42Å; F261-Q274 VanDerWaalsContact CZ-CG 3.42Å
262	P	81.6	Confident	87.7	Confident	49 Å²	49	57.9 Å²	57.9	32%	0.318	32%	0.319	S	S	.	.			trans	-74	149.6	174.8	-14.6	31.8	0	0	0	110.6	T233 P260 R264 I265	T233-P262 HydrophobicContact CG2-CG 4.2Å; P260-P262 WeakPolarHBondContact O-CD 3.36Å; P262-R264 HydrophobicContact CB-CG 4.23Å; P262-R264 PolarHBondContact O-N 3.35Å; P262-I265 PolarHBondContact O-N 3.05Å
263	P	77.4	Confident	88.3	Confident	145 Å²	145	52.6 Å²	52.6	94%	0.942	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-3.9	-175	-26.3	35.2	0	0	0	117.2
264	R	82.3	Confident	88.9	Confident	110 Å²	110	56.7 Å²	56.7	42%	0.415	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.1	177.7	63.3	175	-66.5	-102.5	-28.5	114.4	L232 P262	L232-R264 PolarHBondContact O-NH1 3.34Å; L232-R264 PolarHBondContact O-NH2 3.43Å; P262-R264 HydrophobicContact CB-CG 4.23Å; P262-R264 PolarHBondContact O-N 3.35Å
265	I	89.9	Confident	89.5	Confident	11 Å²	11	62.1 Å²	62.1	6%	0.056	34%	0.339	C	S	.	.	S	Bend	trans	-92.5	121.2	168.4	-59.1	-179.8	0	0	0	107	F229 T233 F261 P262 A269 Q270 L273	F229-I265 HydrophobicContact CE2-CD1 4.41Å; T233-I265 HydrophobicContact CG2-CD1 3.77Å; T233-I265 HydrophobicContact CG2-CG1 4.41Å; F261-I265 HydrophobicContact CD1-CD1 4.12Å; P262-I265 PolarHBondContact O-N 3.05Å; I265-A269 HydrophobicContact CG2-CB 3.67Å; I265-Q270 HydrophobicContact CG2-CB 4.02Å; I265-L273 HydrophobicContact CD1-CD1 4.16Å; I265-L273 HydrophobicContact CG2-CD1 4.33Å
266	G	93.3	Very high	90	Very high	21 Å²	21	60.2 Å²	60.2	22%	0.216	33%	0.329	C	S	.	.			trans	-66.1	155.3	176.7	0	0	0	0	0	112.1	E135 V268 A269 Q270	E135-G266 WeakPolarHBondContact OE1-CA 3.44Å; E135-G266 PolarHBondContact OE1-N 2.73Å; G266-V268 PolarHBondContact O-N 2.9Å; G266-V268 VanDerWaalsContact O-N 3.11Å; G266-A269 PolarHBondContact O-N 3.07Å; G266-Q270 PolarHBondContact O-N 3.38Å
267	P	95.4	Very high	90.4	Very high	109 Å²	109	52.8 Å²	52.8	71%	0.708	30%	0.297	S	S	*	.	H	α-helix	trans	-58.5	-32.7	-172.7	22.2	-33.4	0	0	0	113.2	D271	P267-D271 WeakPolarHBondContact O-CB 3.45Å; P267-D271 PolarHBondContact O-N 2.74Å
268	V	96.9	Very high	90.8	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.376	29%	0.294	S	S	.	.	H	α-helix	trans	-72.3	-37.3	178.5	179.9	0	0	0	0	112.4	G266 L272 P299 F300	G266-V268 PolarHBondContact O-N 2.9Å; G266-V268 VanDerWaalsContact O-N 3.11Å; V268-L272 PolarHBondContact O-N 3.24Å; V268-P299 HydrophobicContact CG1-CB 3.96Å; V268-F300 HydrophobicContact CG1-CB 3.99Å; V268-F300 VanDerWaalsContact CG1-N 3.3Å
269	A	96.3	Very high	91.2	Very high	1 Å²	1	50 Å²	50	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-71.8	-39.7	173.5	0	0	0	0	0	111.1	E135 L232 I265 G266 L272 L273 F300	E135-A269 HydrophobicContact CG-CB 4.13Å; L232-A269 HydrophobicContact CD1-CB 4.33Å; I265-A269 HydrophobicContact CG2-CB 3.67Å; G266-A269 PolarHBondContact O-N 3.07Å; A269-L272 PolarHBondContact O-N 2.85Å; A269-L273 VanDerWaalsContact O-CG 3.24Å; A269-L273 WeakPolarHBondContact O-CG 2.93Å; A269-L273 PolarHBondContact O-N 2.97Å; A269-F300 HydrophobicContact CB-CD2 3.75Å; A269-F300 HydrophobicContact CB-CE2 3.65Å
270	Q	96.4	Very high	91.6	Very high	63 Å²	63	52.1 Å²	52.1	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-44.7	173.6	175.3	170.6	-34.1	0	0	111.6	F261 I265 G266 L273 Q274	F261-Q270 HydrophobicContact CB-CG 4.31Å; F261-Q270 HydrophobicContact CD1-CB 4.27Å; F261-Q270 HydrophobicContact CD1-CG 3.79Å; F261-Q270 HydrophobicContact CD2-CG 3.97Å; F261-Q270 HydrophobicContact CE1-CG 4.09Å; F261-Q270 HydrophobicContact CE2-CG 4.24Å; F261-Q270 HydrophobicContact CG-CG 3.73Å; F261-Q270 HydrophobicContact CZ-CG 4.3Å; I265-Q270 HydrophobicContact CG2-CB 4.02Å; G266-Q270 PolarHBondContact O-N 3.38Å; Q270-L273 PolarHBondContact O-N 3.46Å; Q270-Q274 HydrophobicContact CG-CG 4.34Å; Q270-Q274 VanDerWaalsContact NE2-NE2 3.15Å; Q270-Q274 WeakPolarHBondContact O-CB 3.35Å; Q270-Q274 VanDerWaalsContact O-CG 3.3Å; Q270-Q274 WeakPolarHBondContact O-CG 3.4Å; Q270-Q274 PolarHBondContact O-N 2.99Å
271	D	97.1	Very high	92	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-46	176	-174.4	29.1	0	0	0	111.9	P267 L273 Q274 R275 H298	P267-D271 WeakPolarHBondContact O-CB 3.45Å; P267-D271 PolarHBondContact O-N 2.74Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.42Å; D271-Q274 PolarHBondContact O-N 3.25Å; D271-R275 VanDerWaalsContact CG-NH2 3.31Å; D271-R275 WeakPolarHBondContact O-CG 3.2Å; D271-R275 PolarHBondContact O-N 3.46Å; D271-R275 IonicContact OD1-CZ 3.41Å; D271-R275 IonicContact OD1-NE 2.67Å; D271-R275 PolarHBondContact OD1-NE 3.42Å; D271-R275 IonicContact OD1-NH2 3.5Å; D271-R275 PolarHBondContact OD1-NH2 2.9Å; D271-R275 VanDerWaalsContact OD1-NH2 3.13Å; D271-R275 IonicContact OD2-CZ 2.83Å; D271-R275 IonicContact OD2-NE 3.22Å; D271-R275 PolarHBondContact OD2-NE 2.97Å; D271-R275 IonicContact OD2-NH2 3.6Å; D271-R275 PolarHBondContact OD2-NH2 3.49Å; D271-H298 IonicContact OD2-CE1 2.79Å; D271-H298 IonicContact OD2-NE2 3.86Å; D271-H298 PolarHBondContact OD2-NE2 3.06Å
272	L	97.8	Very high	92.2	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-50.4	175.1	176.8	61.5	0	0	0	111.2	L228 V268 A269 Q274 R275 L276 L285 H298 F300 F301	L228-L272 HydrophobicContact CD1-CD2 4.01Å; V268-L272 PolarHBondContact O-N 3.24Å; A269-L272 PolarHBondContact O-N 2.85Å; L272-Q274 PolarHBondContact O-N 3.33Å; L272-R275 PolarHBondContact O-N 2.97Å; L272-L276 HydrophobicContact CD1-CD1 3.75Å; L272-L276 HydrophobicContact CD1-CG 4.01Å; L272-L276 HydrophobicContact CD2-CD1 4.41Å; L272-L276 HydrophobicContact CG-CD1 3.81Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.35Å; L272-L285 HydrophobicContact CD1-CD2 3.59Å; L272-H298 WeakPolarHBondContact CA-CE1 3.36Å; L272-H298 HydrophobicContact CD1-CB 4.08Å; L272-H298 PolarHBondContact N-CE1 2.95Å; L272-F300 HydrophobicContact CB-CB 4.15Å; L272-F300 HydrophobicContact CD2-CB 3.85Å; L272-F300 HydrophobicContact CD2-CD1 3.34Å; L272-F300 HydrophobicContact CD2-CE1 4.01Å; L272-F300 HydrophobicContact CD2-CG 3.66Å; L272-F301 HydrophobicContact CD1-CE2 4.18Å; L272-F301 HydrophobicContact CD2-CE2 3.74Å; L272-F301 HydrophobicContact CD2-CZ 3.98Å
273	L	97	Very high	92.6	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-36.9	-178.3	-67	171.5	0	0	0	111.9	G225 L228 F229 L232 F261 I265 A269 Q270 D271 L277	G225-L273 WeakPolarHBondContact O-CD2 3.5Å; L228-L273 HydrophobicContact CB-CD2 3.86Å; F229-L273 HydrophobicContact CB-CD1 4.4Å; F229-L273 HydrophobicContact CB-CD2 4.06Å; F229-L273 HydrophobicContact CD2-CD1 4.11Å; L232-L273 HydrophobicContact CD1-CD1 3.93Å; F261-L273 HydrophobicContact CD1-CD1 4.49Å; F261-L273 HydrophobicContact CE1-CB 3.67Å; F261-L273 HydrophobicContact CE1-CD1 4Å; F261-L273 HydrophobicContact CZ-CB 4.17Å; I265-L273 HydrophobicContact CD1-CD1 4.16Å; I265-L273 HydrophobicContact CG2-CD1 4.33Å; A269-L273 VanDerWaalsContact O-CG 3.24Å; A269-L273 WeakPolarHBondContact O-CG 2.93Å; A269-L273 PolarHBondContact O-N 2.97Å; Q270-L273 PolarHBondContact O-N 3.46Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.42Å; L273-L277 WeakPolarHBondContact O-CB 3.14Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.93Å
274	Q	95.6	Very high	93.5	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-38.8	175.1	-74.8	-175.6	5.1	0	0	112.3	F261 Q270 D271 L272 L277 C278	F261-Q274 HydrophobicContact CD2-CG 4.49Å; F261-Q274 HydrophobicContact CE1-CG 4.45Å; F261-Q274 HydrophobicContact CE2-CG 3.45Å; F261-Q274 VanDerWaalsContact CE2-CG 3.45Å; F261-Q274 HydrophobicContact CZ-CG 3.42Å; F261-Q274 VanDerWaalsContact CZ-CG 3.42Å; Q270-Q274 HydrophobicContact CG-CG 4.34Å; Q270-Q274 VanDerWaalsContact NE2-NE2 3.15Å; Q270-Q274 WeakPolarHBondContact O-CB 3.35Å; Q270-Q274 VanDerWaalsContact O-CG 3.3Å; Q270-Q274 WeakPolarHBondContact O-CG 3.4Å; Q270-Q274 PolarHBondContact O-N 2.99Å; D271-Q274 PolarHBondContact O-N 3.25Å; L272-Q274 PolarHBondContact O-N 3.33Å; Q274-L277 CarbonylContact O-C 3.58Å; Q274-C278 PolarHBondContact O-N 3.33Å
275	R	96.6	Very high	94.1	Very high	114 Å²	114	50.3 Å²	50.3	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-77.7	-34	179	-58.8	177.5	-165.9	-155.3	11.8	113.2	D271 L272 C278 L285	D271-R275 VanDerWaalsContact CG-NH2 3.31Å; D271-R275 WeakPolarHBondContact O-CG 3.2Å; D271-R275 PolarHBondContact O-N 3.46Å; D271-R275 IonicContact OD1-CZ 3.41Å; D271-R275 IonicContact OD1-NE 2.67Å; D271-R275 PolarHBondContact OD1-NE 3.42Å; D271-R275 IonicContact OD1-NH2 3.5Å; D271-R275 PolarHBondContact OD1-NH2 2.9Å; D271-R275 VanDerWaalsContact OD1-NH2 3.13Å; D271-R275 IonicContact OD2-CZ 2.83Å; D271-R275 IonicContact OD2-NE 3.22Å; D271-R275 PolarHBondContact OD2-NE 2.97Å; D271-R275 IonicContact OD2-NH2 3.6Å; D271-R275 PolarHBondContact OD2-NH2 3.49Å; L272-R275 PolarHBondContact O-N 2.97Å; R275-C278 WeakPolarHBondContact O-CB 3.33Å; R275-L285 HydrophobicContact CB-CB 3.88Å; R275-L285 HydrophobicContact CB-CD2 4.38Å; R275-L285 PolarHBondContact O-N 2.77Å
276	L	96.4	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72	-39.7	171.9	-70.7	173.8	0	0	0	112	W221 L224 L228 L272 C278 R284 L285 V295	W221-L276 HydrophobicContact CB-CD2 4.06Å; L224-L276 HydrophobicContact CD2-CD1 4.32Å; L224-L276 HydrophobicContact CG-CD1 4.31Å; L228-L276 HydrophobicContact CD1-CD1 3.97Å; L272-L276 HydrophobicContact CD1-CD1 3.75Å; L272-L276 HydrophobicContact CD1-CG 4.01Å; L272-L276 HydrophobicContact CD2-CD1 4.41Å; L272-L276 HydrophobicContact CG-CD1 3.81Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.35Å; L276-C278 PolarHBondContact O-N 3.22Å; L276-R284 WeakPolarHBondContact O-CD 3.17Å; L276-R284 WeakPolarHBondContact O-CG 3.49Å; L276-L285 HydrophobicContact CD2-CB 4.08Å; L276-L285 HydrophobicContact CD2-CD2 4.3Å; L276-L285 HydrophobicContact CG-CD2 4.41Å; L276-V295 HydrophobicContact CD2-CG2 4.3Å
277	L	94.6	Very high	93.8	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	28.6	175.7	-58.2	177.1	0	0	0	112.7	W222 I226 P237 P259 L273 Q274 K279	W222-L277 HydrophobicContact CD2-CD2 3.86Å; W222-L277 HydrophobicContact CE3-CB 4.42Å; W222-L277 HydrophobicContact CE3-CD2 4.06Å; W222-L277 HydrophobicContact CG-CD2 4.38Å; W222-L277 HydrophobicContact CH2-CB 4.37Å; W222-L277 HydrophobicContact CH2-CD2 4.28Å; W222-L277 HydrophobicContact CZ2-CD2 4.09Å; W222-L277 VanDerWaalsContact CZ3-C 3.42Å; W222-L277 HydrophobicContact CZ3-CB 4.1Å; W222-L277 HydrophobicContact CZ3-CD2 4.28Å; W222-L277 VanDerWaalsContact CZ3-O 3.23Å; W222-L277 WeakPolarHBondContact CZ3-O 3.46Å; I226-L277 HydrophobicContact CD1-CD2 3.56Å; I226-L277 HydrophobicContact CG1-CD2 3.85Å; P237-L277 HydrophobicContact CG-CD1 4.33Å; P259-L277 HydrophobicContact CB-CD1 4.02Å; P259-L277 HydrophobicContact CG-CB 4.37Å; P259-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 WeakPolarHBondContact O-CB 3.14Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.93Å; Q274-L277 CarbonylContact O-C 3.58Å; L277-K279 PolarHBondContact O-N 2.93Å
278	C	93.7	Very high	93.2	Very high	34 Å²	34	46.7 Å²	46.7	23%	0.23	24%	0.237	C	C	.	.			trans	-69.3	127.5	170.5	-166.7	0	0	0	0	110.5	Q274 R275 L276 D280 R284	Q274-C278 PolarHBondContact O-N 3.33Å; R275-C278 WeakPolarHBondContact O-CB 3.33Å; L276-C278 PolarHBondContact O-N 3.22Å; C278-D280 VanDerWaalsContact C-N 3.3Å; C278-D280 PolarHBondContact O-N 3.13Å; C278-R284 HydrophobicContact CB-CB 4.16Å; C278-R284 HydrophobicContact CB-CG 4.35Å; C278-R284 PolarHBondContact O-NE 2.72Å; C278-R284 PolarHBondContact O-NH2 2.79Å
279	K	90.9	Very high	92.3	Very high	50 Å²	50	50.2 Å²	50.2	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-75.6	-17.4	-176.7	-61.1	174.6	-175.1	-75.6	0	114.1	P206 W222 I254 C257 L277	P206-K279 HydrophobicContact CG-CB 4.23Å; P206-K279 HydrophobicContact CG-CG 4.19Å; W222-K279 HydrophobicContact CZ3-CG 4.44Å; I254-K279 PolarHBondContact O-NZ 3.06Å; C257-K279 VanDerWaalsContact O-CE 3.24Å; C257-K279 WeakPolarHBondContact O-CE 3.32Å; C257-K279 PolarHBondContact O-NZ 2.97Å; L277-K279 PolarHBondContact O-N 2.93Å
280	D	89.4	Confident	91.6	Very high	59 Å²	59	55.2 Å²	55.2	32%	0.316	28%	0.284	S	S	.	.	S	Bend	trans	-93.6	109.3	172	-179.6	-11.1	0	0	0	107.8	C278 K282 K283 R284	C278-D280 VanDerWaalsContact C-N 3.3Å; C278-D280 PolarHBondContact O-N 3.13Å; D280-K282 PolarHBondContact O-N 2.89Å; D280-K282 PolarHBondContact OD1-N 2.96Å; D280-K283 HydrophobicContact CB-CB 4.22Å; D280-K283 HydrophobicContact CB-CD 4.28Å; D280-K283 HydrophobicContact CB-CG 4.34Å; D280-K283 PolarHBondContact O-N 3.17Å; D280-K283 WeakPolarHBondContact OD2-CD 3.21Å; D280-K283 WeakPolarHBondContact OD2-CE 3.12Å; D280-K283 WeakPolarHBondContact OD2-CG 3.38Å; D280-K283 IonicContact OD2-NZ 2.64Å; D280-K283 PolarHBondContact OD2-NZ 3.44Å; D280-R284 PolarHBondContact O-N 3.31Å
281	P	89	Confident	91.2	Very high	41 Å²	41	53.1 Å²	53.1	27%	0.266	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-64	-21.3	-177.2	26.2	-34.2	0	0	0	112.8	A218 K283 A287	A218-P281 HydrophobicContact CB-CB 4.19Å; P281-K283 VanDerWaalsContact C-N 3.27Å; P281-K283 PolarHBondContact O-N 2.89Å; P281-A287 WeakPolarHBondContact O-CB 3.43Å
282	K	88.1	Confident	91	Very high	157 Å²	157	51.1 Å²	51.1	68%	0.683	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-80	-8.1	175.9	-60.4	-157.7	175.7	-151.2	0	113.1	E192 D280	E192-K282 IonicContact OE1-NZ 2.86Å; E192-K282 IonicContact OE2-NZ 3.2Å; D280-K282 PolarHBondContact O-N 2.89Å; D280-K282 PolarHBondContact OD1-N 2.96Å
283	K	91	Very high	90.7	Very high	156 Å²	156	53.6 Å²	53.6	68%	0.678	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-119.2	8.3	177.6	-59.4	178.2	-171.6	165.6	0	113.1	D280 P281	D280-K283 HydrophobicContact CB-CB 4.22Å; D280-K283 HydrophobicContact CB-CD 4.28Å; D280-K283 HydrophobicContact CB-CG 4.34Å; D280-K283 PolarHBondContact O-N 3.17Å; D280-K283 WeakPolarHBondContact OD2-CD 3.21Å; D280-K283 WeakPolarHBondContact OD2-CE 3.12Å; D280-K283 WeakPolarHBondContact OD2-CG 3.38Å; D280-K283 IonicContact OD2-NZ 2.64Å; D280-K283 PolarHBondContact OD2-NZ 3.44Å; P281-K283 VanDerWaalsContact C-N 3.27Å; P281-K283 PolarHBondContact O-N 2.89Å
284	R	95.1	Very high	90.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-81	139.7	179.2	-169.2	178.1	-60.7	143.1	8.5	110.4	E207 A218 L276 C278 D280 G286 A287	E207-R284 IonicContact OE1-CZ 3.13Å; E207-R284 IonicContact OE1-NH1 3.16Å; E207-R284 PolarHBondContact OE1-NH1 3.01Å; E207-R284 IonicContact OE1-NH2 2.76Å; E207-R284 PolarHBondContact OE1-NH2 2.75Å; E207-R284 IonicContact OE2-CZ 3.41Å; E207-R284 IonicContact OE2-NH1 3.7Å; E207-R284 IonicContact OE2-NH2 3.83Å; E207-R284 PolarHBondContact OE2-NH2 2.66Å; A218-R284 WeakPolarHBondContact O-CD 3.3Å; A218-R284 PolarHBondContact O-NH1 2.7Å; L276-R284 WeakPolarHBondContact O-CD 3.17Å; L276-R284 WeakPolarHBondContact O-CG 3.49Å; C278-R284 HydrophobicContact CB-CB 4.16Å; C278-R284 HydrophobicContact CB-CG 4.35Å; C278-R284 PolarHBondContact O-NE 2.72Å; C278-R284 PolarHBondContact O-NH2 2.79Å; D280-R284 PolarHBondContact O-N 3.31Å; R284-G286 PolarHBondContact O-N 2.72Å; R284-A287 HydrophobicContact CB-CB 4.16Å; R284-A287 VanDerWaalsContact O-CB 3.26Å; R284-A287 WeakPolarHBondContact O-CB 3.29Å; R284-A287 PolarHBondContact O-N 3.27Å
285	L	95.5	Very high	90.6	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.115	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	129.8	176.5	-165.3	70.5	0	0	0	110.5	L272 R275 L276 A287 E294 V295 H298	L272-L285 HydrophobicContact CD1-CD2 3.59Å; R275-L285 HydrophobicContact CB-CB 3.88Å; R275-L285 HydrophobicContact CB-CD2 4.38Å; R275-L285 PolarHBondContact O-N 2.77Å; L276-L285 HydrophobicContact CD2-CB 4.08Å; L276-L285 HydrophobicContact CD2-CD2 4.3Å; L276-L285 HydrophobicContact CG-CD2 4.41Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-E294 HydrophobicContact CD1-CB 3.99Å; L285-E294 HydrophobicContact CG-CB 4.38Å; L285-V295 HydrophobicContact CD2-CG2 4.37Å; L285-V295 HydrophobicContact CG-CG2 4.16Å; L285-H298 HydrophobicContact CD2-CB 4.26Å
286	G	91.5	Very high	90.6	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-5.1	-178.3	0	0	0	0	0	114.8	W221 R284 G291 E294	W221-G286 VanDerWaalsContact NE1-C 3.33Å; W221-G286 PolarHBondContact NE1-O 2.92Å; R284-G286 PolarHBondContact O-N 2.72Å; G286-G291 WeakPolarHBondContact CA-O 3.41Å; G286-G291 WeakPolarHBondContact O-CA 3.02Å; G286-E294 VanDerWaalsContact CA-OE2 3.28Å; G286-E294 WeakPolarHBondContact CA-OE2 3.38Å; G286-E294 PolarHBondContact N-OE2 2.99Å
287	A	86.3	Confident	90.6	Very high	35 Å²	35	51.5 Å²	51.5	29%	0.289	28%	0.279	S	S	.	.			trans	-89	-11.3	175.7	0	0	0	0	0	113.6	A218 P281 R284 L285	A218-A287 HydrophobicContact CB-CB 3.61Å; P281-A287 WeakPolarHBondContact O-CB 3.43Å; R284-A287 HydrophobicContact CB-CB 4.16Å; R284-A287 VanDerWaalsContact O-CB 3.26Å; R284-A287 WeakPolarHBondContact O-CB 3.29Å; R284-A287 PolarHBondContact O-N 3.27Å; L285-A287 VanDerWaalsContact C-N 3.3Å
288	G	82.6	Confident	90.8	Very high	26 Å²	26	51.4 Å²	51.4	27%	0.268	28%	0.278	S	S	.	.	S	Bend	trans	-77.4	179.4	173.8	0	0	0	0	0	113.1	Q290 G291 E294	G288-Q290 PolarHBondContact O-N 2.98Å; G288-G291 PolarHBondContact O-N 2.96Å; G288-E294 WeakPolarHBondContact CA-OE1 3.32Å; G288-E294 PolarHBondContact N-OE1 2.91Å; G288-E294 PolarHBondContact N-OE2 3.38Å
289	P	78.1	Confident	91	Very high	135 Å²	135	52.9 Å²	52.9	88%	0.877	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	-172.7	28.5	-36	0	0	0	114	G291	P289-G291 VanDerWaalsContact C-N 3.34Å
290	Q	80	Confident	91.3	Very high	107 Å²	107	50.6 Å²	50.6	50%	0.5	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.8	174.1	-67.1	-175	18	0	0	112	G288 Q293 E294 R711	G288-Q290 PolarHBondContact O-N 2.98Å; Q290-Q293 HydrophobicContact CB-CB 4.39Å; Q290-Q293 WeakPolarHBondContact O-CB 3.34Å; Q290-Q293 PolarHBondContact O-N 3.14Å; Q290-E294 HydrophobicContact CB-CG 3.66Å; Q290-E294 PolarHBondContact N-OE1 3.44Å; Q290-R711 PolarHBondContact O-NH1 3.19Å
291	G	89.1	Confident	91.7	Very high	19 Å²	19	47.9 Å²	47.9	20%	0.196	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-136.7	173.4	0	0	0	0	0	112.2	G286 G288 P289 Q293 E294	G286-G291 WeakPolarHBondContact CA-O 3.41Å; G286-G291 WeakPolarHBondContact O-CA 3.02Å; G288-G291 PolarHBondContact O-N 2.96Å; P289-G291 VanDerWaalsContact C-N 3.34Å; G291-Q293 PolarHBondContact O-N 2.75Å; G291-E294 WeakPolarHBondContact O-CB 3.45Å; G291-E294 WeakPolarHBondContact O-CG 3.29Å; G291-E294 PolarHBondContact O-N 2.9Å
292	A	92	Very high	91.9	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-49.1	-26.4	177.6	0	0	0	0	0	114.4	V146 E150 W221 E294 V295 R296	V146-A292 HydrophobicContact CG1-CB 4.47Å; E150-A292 HydrophobicContact CB-CB 3.68Å; E150-A292 HydrophobicContact CG-CB 3.62Å; W221-A292 HydrophobicContact CH2-CB 3.58Å; W221-A292 HydrophobicContact CZ2-CB 3.67Å; A292-E294 PolarHBondContact O-N 3.23Å; A292-V295 WeakPolarHBondContact O-CB 3.43Å; A292-V295 PolarHBondContact O-N 3.01Å; A292-V295 VanDerWaalsContact O-N 3.09Å; A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 2.99Å
293	Q	92.8	Very high	91.9	Very high	54 Å²	54	49.8 Å²	49.8	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-28.9	178.6	-161.8	62.3	41.4	0	0	112.9	Q290 G291 V295 R296 N297	Q290-Q293 HydrophobicContact CB-CB 4.39Å; Q290-Q293 WeakPolarHBondContact O-CB 3.34Å; Q290-Q293 PolarHBondContact O-N 3.14Å; G291-Q293 PolarHBondContact O-N 2.75Å; Q293-V295 VanDerWaalsContact C-N 3.3Å; Q293-V295 PolarHBondContact O-N 3.46Å; Q293-R296 PolarHBondContact O-N 2.93Å; Q293-N297 PolarHBondContact NE2-OD1 2.76Å; Q293-N297 VanDerWaalsContact O-CB 3.29Å; Q293-N297 WeakPolarHBondContact O-CB 3.29Å; Q293-N297 PolarHBondContact O-N 2.79Å; Q293-N297 PolarHBondContact O-OD1 3.43Å
294	E	94.4	Very high	92.1	Very high	39 Å²	39	43.2 Å²	43.2	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-38.3	173.9	-57.5	171.1	-171.4	0	0	110.8	L285 G286 G288 Q290 G291 A292	L285-E294 HydrophobicContact CD1-CB 3.99Å; L285-E294 HydrophobicContact CG-CB 4.38Å; G286-E294 VanDerWaalsContact CA-OE2 3.28Å; G286-E294 WeakPolarHBondContact CA-OE2 3.38Å; G286-E294 PolarHBondContact N-OE2 2.99Å; G288-E294 WeakPolarHBondContact CA-OE1 3.32Å; G288-E294 PolarHBondContact N-OE1 2.91Å; G288-E294 PolarHBondContact N-OE2 3.38Å; Q290-E294 HydrophobicContact CB-CG 3.66Å; Q290-E294 PolarHBondContact N-OE1 3.44Å; G291-E294 WeakPolarHBondContact O-CB 3.45Å; G291-E294 WeakPolarHBondContact O-CG 3.29Å; G291-E294 PolarHBondContact O-N 2.9Å; A292-E294 PolarHBondContact O-N 3.23Å
295	V	96.5	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.1	-43.8	174.9	-169.1	0	0	0	0	110.1	V146 W221 L224 L276 L285 A292 Q293 N297 H298 F301	V146-V295 HydrophobicContact CG2-CB 4.43Å; V146-V295 HydrophobicContact CG2-CG1 3.71Å; W221-V295 HydrophobicContact CD2-CG2 4.18Å; W221-V295 HydrophobicContact CE3-CG2 4.06Å; W221-V295 HydrophobicContact CZ3-CG2 4.33Å; L224-V295 HydrophobicContact CD2-CG1 4.27Å; L276-V295 HydrophobicContact CD2-CG2 4.3Å; L285-V295 HydrophobicContact CD2-CG2 4.37Å; L285-V295 HydrophobicContact CG-CG2 4.16Å; A292-V295 WeakPolarHBondContact O-CB 3.43Å; A292-V295 PolarHBondContact O-N 3.01Å; A292-V295 VanDerWaalsContact O-N 3.09Å; Q293-V295 VanDerWaalsContact C-N 3.3Å; Q293-V295 PolarHBondContact O-N 3.46Å; V295-N297 VanDerWaalsContact C-N 3.35Å; V295-N297 PolarHBondContact O-N 2.93Å; V295-H298 VanDerWaalsContact O-CB 3.25Å; V295-H298 WeakPolarHBondContact O-CB 3.3Å; V295-H298 PolarHBondContact O-N 2.92Å; V295-F301 HydrophobicContact CG1-CE2 3.92Å; V295-F301 WeakPolarHBondContact O-CD2 3.45Å
296	R	96.2	Very high	92.1	Very high	23 Å²	23	48.4 Å²	48.4	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-38.4	177.7	-66.5	-164.8	176.6	124.1	10.2	113.9	V146 L147 E150 A292 Q293 H298 W306	V146-R296 HydrophobicContact CG1-CG 3.84Å; L147-R296 VanDerWaalsContact CD2-NH2 3.33Å; E150-R296 IonicContact OE1-NH1 3.77Å; E150-R296 PolarHBondContact OE1-NH1 2.96Å; E150-R296 IonicContact OE2-CZ 2.83Å; E150-R296 VanDerWaalsContact OE2-CZ 3.25Å; E150-R296 IonicContact OE2-NH1 3.63Å; E150-R296 PolarHBondContact OE2-NH1 2.97Å; E150-R296 IonicContact OE2-NH2 2.66Å; E150-R296 PolarHBondContact OE2-NH2 3.35Å; A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 2.99Å; Q293-R296 PolarHBondContact O-N 2.93Å; R296-H298 PolarHBondContact O-N 2.83Å; R296-W306 HydrophobicContact CB-CD2 4.33Å; R296-W306 HydrophobicContact CB-CH2 4.25Å; R296-W306 HydrophobicContact CB-CZ2 3.66Å; R296-W306 HydrophobicContact CG-CD2 3.87Å; R296-W306 HydrophobicContact CG-CE3 3.96Å; R296-W306 HydrophobicContact CG-CH2 3.69Å; R296-W306 HydrophobicContact CG-CZ2 3.58Å; R296-W306 HydrophobicContact CG-CZ3 3.86Å
297	N	95.8	Very high	92	Very high	104 Å²	104	51.6 Å²	51.6	56%	0.556	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.7	-179.8	-67.8	-0.2	0	0	0	112.8	Q293 V295	Q293-N297 PolarHBondContact NE2-OD1 2.76Å; Q293-N297 VanDerWaalsContact O-CB 3.29Å; Q293-N297 WeakPolarHBondContact O-CB 3.29Å; Q293-N297 PolarHBondContact O-N 2.79Å; Q293-N297 PolarHBondContact O-OD1 3.43Å; V295-N297 VanDerWaalsContact C-N 3.35Å; V295-N297 PolarHBondContact O-N 2.93Å
298	H	98	Very high	92.3	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.028	31%	0.309	C	S	.	.	S	Bend	trans	-68.2	135.8	179.1	-162.4	-89.7	0	0	0	111.1	D271 L272 L285 V295 R296 F300 F301	D271-H298 IonicContact OD2-CE1 2.79Å; D271-H298 IonicContact OD2-NE2 3.86Å; D271-H298 PolarHBondContact OD2-NE2 3.06Å; L272-H298 WeakPolarHBondContact CA-CE1 3.36Å; L272-H298 HydrophobicContact CD1-CB 4.08Å; L272-H298 PolarHBondContact N-CE1 2.95Å; L285-H298 HydrophobicContact CD2-CB 4.26Å; V295-H298 VanDerWaalsContact O-CB 3.25Å; V295-H298 WeakPolarHBondContact O-CB 3.3Å; V295-H298 PolarHBondContact O-N 2.92Å; R296-H298 PolarHBondContact O-N 2.83Å; H298-F300 PolarHBondContact ND1-N 2.8Å; H298-F300 PolarHBondContact O-N 3.28Å; H298-F301 HydrophobicContact CB-CD2 4.29Å; H298-F301 PolarHBondContact O-N 3.34Å
299	P	97.9	Very high	92.8	Very high	64 Å²	64	49.6 Å²	49.6	42%	0.416	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-55.7	-20.9	-177	-28.3	35.5	0	0	0	115.3	V268 F301 Q302	V268-P299 HydrophobicContact CG1-CB 3.96Å; P299-F301 PolarHBondContact O-N 2.96Å; P299-Q302 VanDerWaalsContact O-CB 3.23Å; P299-Q302 WeakPolarHBondContact O-CB 3.44Å; P299-Q302 PolarHBondContact O-N 3.25Å; P299-Q302 VanDerWaalsContact O-N 3.12Å
300	F	98.1	Very high	93.2	Very high	2 Å²	2	45 Å²	45	1%	0.009	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.7	172.4	-177.4	-101.4	0	0	0	113.5	E135 V138 R139 V268 A269 L272 H298	E135-F300 HydrophobicContact CB-CE2 3.98Å; E135-F300 HydrophobicContact CB-CZ 4.42Å; E135-F300 HydrophobicContact CG-CE2 4.08Å; E135-F300 WeakPolarHBondContact O-CZ 3.44Å; V138-F300 HydrophobicContact CB-CZ 4.3Å; V138-F300 HydrophobicContact CG1-CE1 4.44Å; V138-F300 HydrophobicContact CG1-CZ 4.17Å; R139-F300 HydrophobicContact CB-CE1 4.08Å; R139-F300 HydrophobicContact CB-CZ 4.32Å; R139-F300 PolarHBondContact NE-O 3.15Å; R139-F300 PolarHBondContact NH2-O 2.84Å; V268-F300 HydrophobicContact CG1-CB 3.99Å; V268-F300 VanDerWaalsContact CG1-N 3.3Å; A269-F300 HydrophobicContact CB-CD2 3.75Å; A269-F300 HydrophobicContact CB-CE2 3.65Å; L272-F300 HydrophobicContact CB-CB 4.15Å; L272-F300 HydrophobicContact CD2-CB 3.85Å; L272-F300 HydrophobicContact CD2-CD1 3.34Å; L272-F300 HydrophobicContact CD2-CE1 4.01Å; L272-F300 HydrophobicContact CD2-CG 3.66Å; H298-F300 PolarHBondContact ND1-N 2.8Å; H298-F300 PolarHBondContact O-N 3.28Å
301	F	97.6	Very high	93.5	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.013	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-99.5	10.3	177.3	-56.7	-80.1	0	0	0	113.3	R139 L272 V295 H298 P299 G303 L304 W306	R139-F301 HydrophobicContact CG-CD1 4.03Å; R139-F301 WeakPolarHBondContact O-CE1 3.45Å; L272-F301 HydrophobicContact CD1-CE2 4.18Å; L272-F301 HydrophobicContact CD2-CE2 3.74Å; L272-F301 HydrophobicContact CD2-CZ 3.98Å; V295-F301 HydrophobicContact CG1-CE2 3.92Å; V295-F301 WeakPolarHBondContact O-CD2 3.45Å; H298-F301 HydrophobicContact CB-CD2 4.29Å; H298-F301 PolarHBondContact O-N 3.34Å; P299-F301 PolarHBondContact O-N 2.96Å; F301-G303 PolarHBondContact O-N 3.1Å; F301-L304 HydrophobicContact CB-CD2 4.46Å; F301-L304 HydrophobicContact CD1-CD2 3.92Å; F301-L304 VanDerWaalsContact O-CB 3.24Å; F301-L304 WeakPolarHBondContact O-CB 3.46Å; F301-L304 PolarHBondContact O-N 3.38Å; F301-W306 HydrophobicContact CB-CH2 4.42Å; F301-W306 HydrophobicContact CB-CZ2 3.64Å; F301-W306 AromaticContact CD1-CH2 3.99Å; F301-W306 HydrophobicContact CD1-CH2 3.99Å; F301-W306 HydrophobicContact CD1-CZ2 4.05Å; F301-W306 HydrophobicContact CD2-CZ2 4.38Å; F301-W306 HydrophobicContact CE1-CH2 4.4Å; F301-W306 HydrophobicContact CG-CH2 4.1Å; F301-W306 AromaticContact CG-CZ2 3.79Å; F301-W306 HydrophobicContact CG-CZ2 3.79Å
302	Q	93.3	Very high	93.5	Very high	153 Å²	153	45.9 Å²	45.9	72%	0.715	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	132	176.9	-172.4	174.8	-0.7	0	0	110.6	P299 L304	P299-Q302 VanDerWaalsContact O-CB 3.23Å; P299-Q302 WeakPolarHBondContact O-CB 3.44Å; P299-Q302 PolarHBondContact O-N 3.25Å; P299-Q302 VanDerWaalsContact O-N 3.12Å; Q302-L304 VanDerWaalsContact C-N 3.35Å
303	G	88.9	Confident	93.4	Very high	84 Å²	84	53.6 Å²	53.6	87%	0.866	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	1.5	-175.8	0	0	0	0	0	115.5	F301	F301-G303 PolarHBondContact O-N 3.1Å
304	L	94.3	Very high	93.4	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.094	30%	0.304	C	S	.	.			trans	-84.4	117.4	170.9	-173.6	65.4	0	0	0	110.3	R139 F301 Q302 W306 L309 I314	R139-L304 HydrophobicContact CG-CB 4.47Å; R139-L304 HydrophobicContact CG-CD2 4.21Å; F301-L304 HydrophobicContact CB-CD2 4.46Å; F301-L304 HydrophobicContact CD1-CD2 3.92Å; F301-L304 VanDerWaalsContact O-CB 3.24Å; F301-L304 WeakPolarHBondContact O-CB 3.46Å; F301-L304 PolarHBondContact O-N 3.38Å; Q302-L304 VanDerWaalsContact C-N 3.35Å; L304-W306 HydrophobicContact CD2-CH2 4.03Å; L304-W306 HydrophobicContact CD2-CZ2 3.96Å; L304-W306 HydrophobicContact CD2-CZ3 4.35Å; L304-W306 VanDerWaalsContact O-CD1 3.29Å; L304-W306 PolarHBondContact O-N 3.05Å; L304-L309 HydrophobicContact CD1-CD2 4.37Å; L304-L309 HydrophobicContact CD2-CD2 4.02Å; L304-L309 HydrophobicContact CG-CD2 4.37Å; L304-I314 HydrophobicContact CD1-CD1 3.75Å
305	D	95.6	Very high	93.1	Very high	88 Å²	88	56 Å²	56	47%	0.471	33%	0.328	S	S	.	.			trans	-77	105.5	171.6	179.6	-11	0	0	0	110.1	A307 A308 L309 I314	D305-A307 VanDerWaalsContact C-N 3.31Å; D305-A307 PolarHBondContact O-N 3.12Å; D305-A307 WeakPolarHBondContact OD1-CA 3.14Å; D305-A307 WeakPolarHBondContact OD1-CB 3.24Å; D305-A307 PolarHBondContact OD1-N 3.47Å; D305-A308 HydrophobicContact CB-CB 3.86Å; D305-A308 VanDerWaalsContact CG-CB 3.41Å; D305-A308 PolarHBondContact OD1-N 3.44Å; D305-A308 VanDerWaalsContact OD2-CB 3.3Å; D305-A308 WeakPolarHBondContact OD2-CB 3.35Å; D305-L309 VanDerWaalsContact O-CB 3.29Å; D305-L309 WeakPolarHBondContact O-CB 3.29Å; D305-L309 PolarHBondContact O-N 3.31Å; D305-I314 HydrophobicContact CB-CD1 4.34Å; D305-I314 WeakPolarHBondContact O-CD1 3.13Å
306	W	94.3	Very high	92.9	Very high	48 Å²	48	56.8 Å²	56.8	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-67.6	-26.2	-180	-65.1	95	0	0	0	114	G143 V146 L147 R296 F301 L304 A310	G143-W306 WeakPolarHBondContact O-CZ3 3.43Å; V146-W306 HydrophobicContact CB-CH2 4.23Å; V146-W306 HydrophobicContact CB-CZ3 4.05Å; V146-W306 HydrophobicContact CG1-CH2 3.97Å; V146-W306 HydrophobicContact CG1-CZ3 3.82Å; L147-W306 HydrophobicContact CD2-CE3 4.01Å; L147-W306 HydrophobicContact CG-CE3 4.12Å; L147-W306 HydrophobicContact CG-CZ3 4.38Å; R296-W306 HydrophobicContact CB-CD2 4.33Å; R296-W306 HydrophobicContact CB-CH2 4.25Å; R296-W306 HydrophobicContact CB-CZ2 3.66Å; R296-W306 HydrophobicContact CG-CD2 3.87Å; R296-W306 HydrophobicContact CG-CE3 3.96Å; R296-W306 HydrophobicContact CG-CH2 3.69Å; R296-W306 HydrophobicContact CG-CZ2 3.58Å; R296-W306 HydrophobicContact CG-CZ3 3.86Å; F301-W306 HydrophobicContact CB-CH2 4.42Å; F301-W306 HydrophobicContact CB-CZ2 3.64Å; F301-W306 AromaticContact CD1-CH2 3.99Å; F301-W306 HydrophobicContact CD1-CH2 3.99Å; F301-W306 HydrophobicContact CD1-CZ2 4.05Å; F301-W306 HydrophobicContact CD2-CZ2 4.38Å; F301-W306 HydrophobicContact CE1-CH2 4.4Å; F301-W306 HydrophobicContact CG-CH2 4.1Å; F301-W306 AromaticContact CG-CZ2 3.79Å; F301-W306 HydrophobicContact CG-CZ2 3.79Å; L304-W306 HydrophobicContact CD2-CH2 4.03Å; L304-W306 HydrophobicContact CD2-CZ2 3.96Å; L304-W306 HydrophobicContact CD2-CZ3 4.35Å; L304-W306 VanDerWaalsContact O-CD1 3.29Å; L304-W306 PolarHBondContact O-N 3.05Å; W306-A310 VanDerWaalsContact O-CB 3.3Å; W306-A310 WeakPolarHBondContact O-CB 3.44Å; W306-A310 PolarHBondContact O-N 3.46Å
307	A	91.3	Very high	92.6	Very high	71 Å²	71	57.4 Å²	57.4	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-81.1	-43.9	178	0	0	0	0	0	110.7	D305 L309 A310 A311	D305-A307 VanDerWaalsContact C-N 3.31Å; D305-A307 PolarHBondContact O-N 3.12Å; D305-A307 WeakPolarHBondContact OD1-CA 3.14Å; D305-A307 WeakPolarHBondContact OD1-CB 3.24Å; D305-A307 PolarHBondContact OD1-N 3.47Å; A307-L309 VanDerWaalsContact C-N 3.3Å; A307-L309 PolarHBondContact O-N 3.11Å; A307-A310 PolarHBondContact O-N 2.62Å; A307-A311 WeakPolarHBondContact O-CB 3.31Å; A307-A311 PolarHBondContact O-N 3.39Å
308	A	91.9	Very high	92.2	Very high	18 Å²	18	54.5 Å²	54.5	15%	0.149	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-38.7	170.2	0	0	0	0	0	111.6	D305 A311 R312 K313 I314	D305-A308 HydrophobicContact CB-CB 3.86Å; D305-A308 VanDerWaalsContact CG-CB 3.41Å; D305-A308 PolarHBondContact OD1-N 3.44Å; D305-A308 VanDerWaalsContact OD2-CB 3.3Å; D305-A308 WeakPolarHBondContact OD2-CB 3.35Å; A308-A311 CarbonylContact O-C 3.51Å; A308-A311 PolarHBondContact O-N 3.01Å; A308-R312 PolarHBondContact O-N 3.3Å; A308-K313 HydrophobicContact CB-CB 4.12Å; A308-K313 WeakPolarHBondContact O-CB 3.21Å; A308-K313 PolarHBondContact O-N 3.33Å; A308-I314 HydrophobicContact CB-CD1 4.27Å; A308-I314 HydrophobicContact CB-CG1 3.83Å
309	L	92.3	Very high	91.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-49.8	174.7	-167.9	65.4	0	0	0	111.5	F97 V140 E144 L147 L304 D305 A307 A311 R312 I314	F97-L309 WeakPolarHBondContact CZ-O 3.42Å; V140-L309 HydrophobicContact CG1-CD1 3.85Å; E144-L309 HydrophobicContact CG-CD1 3.91Å; E144-L309 HydrophobicContact CG-CD2 4.24Å; E144-L309 HydrophobicContact CG-CG 4.19Å; L147-L309 HydrophobicContact CD1-CB 4.02Å; L147-L309 HydrophobicContact CD1-CD2 3.78Å; L147-L309 HydrophobicContact CD1-CG 3.74Å; L304-L309 HydrophobicContact CD1-CD2 4.37Å; L304-L309 HydrophobicContact CD2-CD2 4.02Å; L304-L309 HydrophobicContact CG-CD2 4.37Å; D305-L309 VanDerWaalsContact O-CB 3.29Å; D305-L309 WeakPolarHBondContact O-CB 3.29Å; D305-L309 PolarHBondContact O-N 3.31Å; A307-L309 VanDerWaalsContact C-N 3.3Å; A307-L309 PolarHBondContact O-N 3.11Å; L309-A311 PolarHBondContact O-N 3.03Å; L309-R312 PolarHBondContact O-N 2.86Å; L309-I314 HydrophobicContact CB-CD1 4.11Å; L309-I314 HydrophobicContact CD1-CB 4.13Å; L309-I314 HydrophobicContact CD1-CD1 4.42Å; L309-I314 HydrophobicContact CD1-CG2 4.49Å
310	A	87.9	Confident	90.9	Very high	39 Å²	39	59.9 Å²	59.9	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-32.6	177.4	0	0	0	0	0	113.3	L147 W306 A307 R312	L147-A310 HydrophobicContact CD1-CB 4.03Å; L147-A310 HydrophobicContact CD2-CB 4.32Å; W306-A310 VanDerWaalsContact O-CB 3.3Å; W306-A310 WeakPolarHBondContact O-CB 3.44Å; W306-A310 PolarHBondContact O-N 3.46Å; A307-A310 PolarHBondContact O-N 2.62Å; A310-R312 VanDerWaalsContact C-N 3.32Å
311	A	86.3	Confident	89.9	Confident	56 Å²	56	67.3 Å²	67.3	46%	0.463	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.6	175	0	0	0	0	0	114.3	A307 A308 L309 K313	A307-A311 WeakPolarHBondContact O-CB 3.31Å; A307-A311 PolarHBondContact O-N 3.39Å; A308-A311 CarbonylContact O-C 3.51Å; A308-A311 PolarHBondContact O-N 3.01Å; L309-A311 PolarHBondContact O-N 3.03Å; A311-K313 HydrophobicContact CB-CD 4.23Å; A311-K313 HydrophobicContact CB-CG 4.08Å; A311-K313 PolarHBondContact O-N 3.36Å
312	R	87.9	Confident	88.9	Confident	89 Å²	89	69.8 Å²	69.8	34%	0.336	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.4	-177.9	-66.8	177.5	159.5	-137.5	-9.4	114.6	F97 D170 A308 L309 A310	F97-R312 HydrophobicContact CE1-CG 4.13Å; F97-R312 HydrophobicContact CZ-CG 4.03Å; D170-R312 IonicContact OD2-CZ 2.94Å; D170-R312 IonicContact OD2-NH1 2.7Å; D170-R312 PolarHBondContact OD2-NH1 3Å; D170-R312 IonicContact OD2-NH2 3.05Å; D170-R312 PolarHBondContact OD2-NH2 2.83Å; A308-R312 PolarHBondContact O-N 3.3Å; L309-R312 PolarHBondContact O-N 2.86Å; A310-R312 VanDerWaalsContact C-N 3.32Å
313	K	91.4	Very high	87.4	Confident	167 Å²	167	72.9 Å²	72.9	73%	0.726	39%	0.39	S	S	*	.			trans	-89.5	-19.1	177.6	-63.7	-177.8	179.1	-178.6	0	113.7	A308 A311	A308-K313 HydrophobicContact CB-CB 4.12Å; A308-K313 WeakPolarHBondContact O-CB 3.21Å; A308-K313 PolarHBondContact O-N 3.33Å; A311-K313 HydrophobicContact CB-CD 4.23Å; A311-K313 HydrophobicContact CB-CG 4.08Å; A311-K313 PolarHBondContact O-N 3.36Å
314	I	91.3	Very high	86	Confident	36 Å²	36	72 Å²	72	19%	0.185	37%	0.371	C	S	.	.	S	Bend	trans	-82.5	126.7	168.5	-60.5	-172.6	0	0	0	107.3	H174 L304 D305 A308 L309	H174-I314 PolarHBondContact CE1-O 2.83Å; H174-I314 VanDerWaalsContact CE1-O 3.23Å; L304-I314 HydrophobicContact CD1-CD1 3.75Å; D305-I314 HydrophobicContact CB-CD1 4.34Å; D305-I314 WeakPolarHBondContact O-CD1 3.13Å; A308-I314 HydrophobicContact CB-CD1 4.27Å; A308-I314 HydrophobicContact CB-CG1 3.83Å; L309-I314 HydrophobicContact CB-CD1 4.11Å; L309-I314 HydrophobicContact CD1-CB 4.13Å; L309-I314 HydrophobicContact CD1-CD1 4.42Å; L309-I314 HydrophobicContact CD1-CG2 4.49Å
315	P	89.1	Confident	84.3	Confident	107 Å²	107	77.8 Å²	77.8	70%	0.695	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-67.3	142.2	179.2	27.9	-34.8	0	0	0	111.6
316	A	91	Very high	82.6	Confident	17 Å²	17	76.8 Å²	76.8	14%	0.14	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-60.3	148.2	174.4	0	0	0	0	0	112.1	E172 G173 F318	E172-A316 WeakPolarHBondContact O-CB 3.41Å; G173-A316 VanDerWaalsContact C-CB 3.42Å; G173-A316 WeakPolarHBondContact O-CB 3.28Å; A316-F318 PolarHBondContact O-N 2.92Å; A316-F318 VanDerWaalsContact O-N 3.13Å
317	P	90.9	Very high	81.1	Confident	36 Å²	36	75.8 Å²	75.8	23%	0.234	39%	0.39	C	S	.	.	S	Bend	trans	-54.9	-31.1	-178.5	-32.6	39	0	0	0	116.3	E137 V140 Y141	E137-P317 HydrophobicContact CB-CB 3.71Å; E137-P317 HydrophobicContact CB-CG 4.04Å; E137-P317 HydrophobicContact CG-CB 3.89Å; V140-P317 HydrophobicContact CB-CG 3.8Å; V140-P317 HydrophobicContact CG1-CG 4.18Å; V140-P317 HydrophobicContact CG2-CG 4.3Å; Y141-P317 HydrophobicContact CD1-CG 4.48Å; Y141-P317 HydrophobicContact CD2-CB 4.4Å; Y141-P317 HydrophobicContact CD2-CG 3.86Å; Y141-P317 HydrophobicContact CE1-CG 4.19Å; Y141-P317 HydrophobicContact CE2-CB 3.69Å; Y141-P317 HydrophobicContact CE2-CG 3.52Å; Y141-P317 HydrophobicContact CG-CG 4.33Å
318	F	86.9	Confident	79.8	Confident	42 Å²	42	72.6 Å²	72.6	18%	0.184	36%	0.363	C	S	.	.			trans	-155.1	151.9	168.1	74.6	-71.1	0	0	0	109.7	H126 R130 F133 Y141 L169 G173 A316 P320	H126-F318 HydrophobicContact CB-CZ 3.82Å; H126-F318 AromaticContact CE1-CE2 4Å; H126-F318 AromaticContact CG-CZ 3.56Å; H126-F318 AromaticContact ND1-CE2 3.58Å; H126-F318 AromaticContact ND1-CZ 3.57Å; R130-F318 VanDerWaalsContact NH1-CD1 3.29Å; F133-F318 HydrophobicContact CE1-CD1 4.12Å; F133-F318 AromaticContact CE1-CE1 3.65Å; F133-F318 HydrophobicContact CE1-CE1 3.65Å; F133-F318 HydrophobicContact CZ-CE1 4.12Å; Y141-F318 HydrophobicContact CE2-CD1 4.34Å; Y141-F318 HydrophobicContact CE2-CE1 4.17Å; Y141-F318 WeakPolarHBondContact OH-CD1 3.42Å; Y141-F318 WeakPolarHBondContact OH-CE1 3.33Å; L169-F318 HydrophobicContact CD1-CE1 3.71Å; L169-F318 HydrophobicContact CD1-CE2 4.38Å; L169-F318 HydrophobicContact CD1-CZ 3.42Å; L169-F318 VanDerWaalsContact CD1-CZ 3.42Å; G173-F318 WeakPolarHBondContact CA-O 3.36Å; A316-F318 PolarHBondContact O-N 2.92Å; A316-F318 VanDerWaalsContact O-N 3.13Å; F318-P320 HydrophobicContact CE2-CG 4.35Å
319	R	86.9	Confident	78.4	Confident	173 Å²	173	74.1 Å²	74.1	65%	0.653	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-90	125.7	169.5	-80.8	173.9	170.9	179.6	-5.6	109.6	E172	E172-R319 WeakPolarHBondContact O-CG 3.15Å; E172-R319 IonicContact OE1-CZ 3.26Å; E172-R319 IonicContact OE1-NH2 3.37Å; E172-R319 PolarHBondContact OE1-NH2 3.06Å
320	P	82.3	Confident	77.2	Confident	11 Å²	11	74.7 Å²	74.7	7%	0.071	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-57	144.8	172.8	-27.3	36.3	0	0	0	111.7	L169 G173 F318 I322	L169-P320 HydrophobicContact CB-CG 4.06Å; L169-P320 HydrophobicContact CD1-CG 4.26Å; G173-P320 VanDerWaalsContact CA-CD 3.41Å; F318-P320 HydrophobicContact CE2-CG 4.35Å; P320-I322 HydrophobicContact CB-CG1 4.46Å; P320-I322 PolarHBondContact O-N 3.24Å
321	Q	76.1	Confident	76	Confident	158 Å²	158	73.6 Å²	73.6	74%	0.738	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-77.6	122.2	171.5	-68.1	-171.3	-3.7	0	0	109.1	N330	Q321-N330 PolarHBondContact O-ND2 3.35Å
322	I	76.8	Confident	74.6	Confident	55 Å²	55	71.9 Å²	71.9	28%	0.282	36%	0.357	S	S	.	.			trans	-131.9	114.2	-179.7	-62.7	169.5	0	0	0	106.3	S119 P320 S324 D327	S119-I322 WeakPolarHBondContact OG-CD1 3.49Å; P320-I322 HydrophobicContact CB-CG1 4.46Å; P320-I322 PolarHBondContact O-N 3.24Å; I322-S324 VanDerWaalsContact CG2-O 3.26Å; I322-S324 WeakPolarHBondContact CG2-O 3.18Å; I322-D327 HydrophobicContact CG2-CB 4.29Å
323	R	62.7	Low	73.3	Confident	218 Å²	218	72.9 Å²	72.9	82%	0.823	37%	0.366	S	S	*	.	S	Bend	trans	-85.4	-22.8	-173.8	-61.5	170.3	180	-173.2	0.4	113.4	D327	R323-D327 HydrophobicContact CB-CB 4.42Å; R323-D327 VanDerWaalsContact CB-OD2 3.26Å; R323-D327 WeakPolarHBondContact CB-OD2 3.36Å; R323-D327 VanDerWaalsContact CG-OD2 3.28Å; R323-D327 WeakPolarHBondContact CG-OD2 3.5Å; R323-D327 PolarHBondContact N-OD2 2.96Å
324	S	59.4	Low	71.5	Confident	65 Å²	65	69.1 Å²	69.1	46%	0.455	35%	0.351	S	S	.	.	S	Bend	trans	-164.3	169.3	176	66.5	0	0	0	0	109.6	I322 L326 D327	I322-S324 VanDerWaalsContact CG2-O 3.26Å; I322-S324 WeakPolarHBondContact CG2-O 3.18Å; S324-L326 PolarHBondContact O-N 3.11Å; S324-L326 VanDerWaalsContact O-N 3.16Å; S324-D327 WeakPolarHBondContact O-CB 3.28Å; S324-D327 PolarHBondContact O-N 3.05Å; S324-D327 PolarHBondContact OG-N 2.95Å
325	E	58.6	Low	69.8	Low	140 Å²	140	68.6 Å²	68.6	65%	0.654	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.3	176	-55.2	-176.9	156.2	0	0	113.3	L61 Y117	L61-E325 HydrophobicContact CD1-CB 3.79Å; L61-E325 WeakPolarHBondContact CD1-O 3.33Å; Y117-E325 WeakPolarHBondContact CE1-O 3.26Å
326	L	59.5	Low	68.5	Low	66 Å²	66	64.7 Å²	64.7	35%	0.346	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.3	178.1	-63.3	179.4	0	0	0	113.4	L36 L49 L61 S324 V328	L36-L326 HydrophobicContact CD1-CD2 3.55Å; L49-L326 HydrophobicContact CD2-CD2 4.32Å; L61-L326 HydrophobicContact CD1-CD2 4.03Å; L61-L326 HydrophobicContact CD2-CD2 3.97Å; S324-L326 PolarHBondContact O-N 3.11Å; S324-L326 VanDerWaalsContact O-N 3.16Å; L326-V328 PolarHBondContact O-N 3.26Å
327	D	62.1	Low	67.5	Low	27 Å²	27	72.7 Å²	72.7	14%	0.144	35%	0.348	C	S	.	.			trans	-72.8	115.9	177.8	-166	-0.7	0	0	0	110.2	Y117 I322 R323 S324 G329	Y117-D327 PolarHBondContact OH-O 3.4Å; I322-D327 HydrophobicContact CG2-CB 4.29Å; R323-D327 HydrophobicContact CB-CB 4.42Å; R323-D327 VanDerWaalsContact CB-OD2 3.26Å; R323-D327 WeakPolarHBondContact CB-OD2 3.36Å; R323-D327 VanDerWaalsContact CG-OD2 3.28Å; R323-D327 WeakPolarHBondContact CG-OD2 3.5Å; R323-D327 PolarHBondContact N-OD2 2.96Å; S324-D327 WeakPolarHBondContact O-CB 3.28Å; S324-D327 PolarHBondContact O-N 3.05Å; S324-D327 PolarHBondContact OG-N 2.95Å; D327-G329 PolarHBondContact OD1-N 3.36Å
328	V	64.6	Low	66	Low	5 Å²	5	74.5 Å²	74.5	3%	0.03	36%	0.356	C	S	.	.			trans	-111.8	15.7	176.3	-61.5	0	0	0	0	111.2	K37 L39 L49 L326 N330 F331 T336	K37-V328 HydrophobicContact CD-CB 4.42Å; K37-V328 HydrophobicContact CD-CG1 4.07Å; K37-V328 HydrophobicContact CD-CG2 3.47Å; K37-V328 VanDerWaalsContact CD-CG2 3.47Å; L39-V328 HydrophobicContact CD2-CB 4.35Å; L39-V328 HydrophobicContact CD2-CG1 3.72Å; L49-V328 HydrophobicContact CD2-CG1 3.86Å; L326-V328 PolarHBondContact O-N 3.26Å; V328-N330 PolarHBondContact O-N 3.44Å; V328-F331 HydrophobicContact CB-CD2 4.03Å; V328-F331 HydrophobicContact CG1-CD2 4.43Å; V328-F331 WeakPolarHBondContact O-CB 3.28Å; V328-F331 PolarHBondContact O-N 3.09Å; V328-T336 HydrophobicContact CB-CG2 3.81Å; V328-T336 HydrophobicContact CG2-CG2 3.59Å
329	G	62.1	Low	64.7	Low	50 Å²	50	79.8 Å²	79.8	52%	0.515	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.5	-178.4	0	0	0	0	0	114.8	D327	D327-G329 PolarHBondContact OD1-N 3.36Å
330	N	66.6	Low	63.5	Low	11 Å²	11	73.5 Å²	73.5	6%	0.059	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.6	174.6	-57.5	-57.6	0	0	0	113.9	G120 E122 T125 H126 Q321 V328	G120-N330 WeakPolarHBondContact O-CB 3.43Å; E122-N330 PolarHBondContact N-O 3.17Å; T125-N330 WeakPolarHBondContact CB-O 3.36Å; T125-N330 WeakPolarHBondContact CG2-O 3.46Å; T125-N330 PolarHBondContact OG1-O 3.03Å; H126-N330 PolarHBondContact CE1-OD1 2.73Å; Q321-N330 PolarHBondContact O-ND2 3.35Å; V328-N330 PolarHBondContact O-N 3.44Å
331	F	63.2	Low	62.6	Low	16 Å²	16	77.1 Å²	77.1	7%	0.07	38%	0.384	C	S	.	.	S	Bend	trans	-94.2	157.8	174.8	-67.6	-96.3	0	0	0	111.3	L39 Y117 V118 V328 E333 T336	L39-F331 HydrophobicContact CB-CD1 4.11Å; L39-F331 HydrophobicContact CB-CE1 4.2Å; L39-F331 HydrophobicContact CD1-CE1 4.19Å; L39-F331 HydrophobicContact CD1-CZ 4.25Å; L39-F331 HydrophobicContact CD2-CD1 3.91Å; L39-F331 HydrophobicContact CD2-CD2 3.94Å; L39-F331 HydrophobicContact CD2-CE1 3.98Å; L39-F331 HydrophobicContact CD2-CE2 4Å; L39-F331 HydrophobicContact CD2-CG 3.88Å; L39-F331 HydrophobicContact CD2-CZ 4.01Å; L39-F331 HydrophobicContact CG-CD1 4.48Å; L39-F331 HydrophobicContact CG-CE1 4.34Å; Y117-F331 HydrophobicContact CD2-CZ 4.41Å; Y117-F331 AromaticContact CE2-CE2 3.68Å; Y117-F331 HydrophobicContact CE2-CE2 3.68Å; Y117-F331 AromaticContact CE2-CZ 3.7Å; Y117-F331 HydrophobicContact CE2-CZ 3.7Å; V118-F331 VanDerWaalsContact O-CZ 3.27Å; V118-F331 WeakPolarHBondContact O-CZ 3.37Å; V328-F331 HydrophobicContact CB-CD2 4.03Å; V328-F331 HydrophobicContact CG1-CD2 4.43Å; V328-F331 WeakPolarHBondContact O-CB 3.28Å; V328-F331 PolarHBondContact O-N 3.09Å; F331-E333 PolarHBondContact O-N 2.85Å; F331-T336 HydrophobicContact CB-CG2 3.73Å
332	A	56.9	Low	61.6	Low	20 Å²	20	72.1 Å²	72.1	17%	0.165	36%	0.359	C	S	.	.			trans	-61.8	121.7	-177.6	0	0	0	0	0	112.4	E334 F335 T336	A332-E334 PolarHBondContact O-N 2.8Å; A332-E334 VanDerWaalsContact O-N 3.12Å; A332-F335 HydrophobicContact CB-CD2 3.77Å; A332-F335 HydrophobicContact CB-CE2 3.97Å; A332-F335 PolarHBondContact O-N 3.34Å; A332-T336 PolarHBondContact O-N 2.59Å
333	E	61.2	Low	60.4	Low	111 Å²	111	71.3 Å²	71.3	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-26.7	-171.2	-157.1	-171.8	-170.1	0	0	113.8	F331 F335 T336 R337	F331-E333 PolarHBondContact O-N 2.85Å; E333-F335 PolarHBondContact O-N 2.83Å; E333-T336 WeakPolarHBondContact CA-OG1 3.34Å; E333-T336 PolarHBondContact O-N 3.24Å; E333-R337 HydrophobicContact CG-CG 4.05Å; E333-R337 WeakPolarHBondContact O-CB 3.21Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.27Å; E333-R337 VanDerWaalsContact O-N 3.13Å; E333-R337 IonicContact OE1-CZ 2.67Å; E333-R337 IonicContact OE1-NE 3.61Å; E333-R337 PolarHBondContact OE1-NE 3.35Å; E333-R337 IonicContact OE1-NH2 3.69Å; E333-R337 PolarHBondContact OE1-NH2 3.1Å; E333-R337 IonicContact OE2-CZ 2.89Å; E333-R337 IonicContact OE2-NE 3.27Å; E333-R337 IonicContact OE2-NH2 3.92Å; E333-R337 PolarHBondContact OE2-NH2 3.07Å
334	E	52.6	Low	59.8	Low	88 Å²	88	66 Å²	66	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-11.2	175.9	74	-175.9	-104.4	0	0	114.1	A332 L338 P726 K729	A332-E334 PolarHBondContact O-N 2.8Å; A332-E334 VanDerWaalsContact O-N 3.12Å; E334-L338 WeakPolarHBondContact O-CG 3.49Å; E334-P726 HydrophobicContact CG-CG 4.31Å; E334-P726 WeakPolarHBondContact OE1-CG 3.42Å; E334-P726 VanDerWaalsContact OE2-CB 3.32Å; E334-P726 WeakPolarHBondContact OE2-CB 3.47Å; E334-K729 IonicContact OE1-NZ 2.69Å; E334-K729 PolarHBondContact OE1-NZ 2.87Å
335	F	56.2	Low	59.3	Low	24 Å²	24	68.6 Å²	68.6	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-99.8	-44.7	168.9	-52.6	-44.8	0	0	0	111.5	V38 T41 A332 E333 R337 L338 P726	V38-F335 HydrophobicContact CG1-CB 4.44Å; V38-F335 CarbonylContact O-C 3.57Å; T41-F335 HydrophobicContact CG2-CD1 4.03Å; T41-F335 HydrophobicContact CG2-CE1 4.27Å; T41-F335 VanDerWaalsContact OG1-CE1 3.28Å; T41-F335 WeakPolarHBondContact OG1-CE1 3.46Å; A332-F335 HydrophobicContact CB-CD2 3.77Å; A332-F335 HydrophobicContact CB-CE2 3.97Å; A332-F335 PolarHBondContact O-N 3.34Å; E333-F335 PolarHBondContact O-N 2.83Å; F335-R337 PolarHBondContact O-N 3.1Å; F335-L338 HydrophobicContact CD1-CD1 4.41Å; F335-L338 VanDerWaalsContact O-CB 3.26Å; F335-L338 WeakPolarHBondContact O-CB 3.41Å; F335-L338 WeakPolarHBondContact O-CG 3.34Å; F335-L338 PolarHBondContact O-N 3.48Å; F335-P726 HydrophobicContact CZ-CG 4.09Å
336	T	62.8	Low	59.1	Low	25 Å²	25	64.1 Å²	64.1	15%	0.153	36%	0.359	C	S	.	.	H	α-helix	trans	-71.4	-15.2	-174.8	61.7	0	0	0	0	114.4	V38 V328 F331 A332 E333	V38-T336 WeakPolarHBondContact O-CA 3.31Å; V38-T336 PolarHBondContact O-N 3.19Å; V328-T336 HydrophobicContact CB-CG2 3.81Å; V328-T336 HydrophobicContact CG2-CG2 3.59Å; F331-T336 HydrophobicContact CB-CG2 3.73Å; A332-T336 PolarHBondContact O-N 2.59Å; E333-T336 WeakPolarHBondContact CA-OG1 3.34Å; E333-T336 PolarHBondContact O-N 3.24Å
337	R	68	Low	58.6	Low	185 Å²	185	65.9 Å²	65.9	70%	0.698	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.6	167	-70.2	179	178.8	-163	8.7	114.5	E333 F335	E333-R337 HydrophobicContact CG-CG 4.05Å; E333-R337 WeakPolarHBondContact O-CB 3.21Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.27Å; E333-R337 VanDerWaalsContact O-N 3.13Å; E333-R337 IonicContact OE1-CZ 2.67Å; E333-R337 IonicContact OE1-NE 3.61Å; E333-R337 PolarHBondContact OE1-NE 3.35Å; E333-R337 IonicContact OE1-NH2 3.69Å; E333-R337 PolarHBondContact OE1-NH2 3.1Å; E333-R337 IonicContact OE2-CZ 2.89Å; E333-R337 IonicContact OE2-NE 3.27Å; E333-R337 IonicContact OE2-NH2 3.92Å; E333-R337 PolarHBondContact OE2-NH2 3.07Å; F335-R337 PolarHBondContact O-N 3.1Å
338	L	59.6	Low	58.3	Low	75 Å²	75	68.7 Å²	68.7	39%	0.393	40%	0.396	S	S	.	.	S	Bend	trans	-78.5	136.8	175	-58.8	174.8	0	0	0	109.8	V38 T41 E334 F335	V38-L338 HydrophobicContact CB-CB 4.27Å; V38-L338 HydrophobicContact CG1-CD1 4.43Å; V38-L338 HydrophobicContact CG2-CB 3.98Å; T41-L338 HydrophobicContact CG2-CD1 4.37Å; E334-L338 WeakPolarHBondContact O-CG 3.49Å; F335-L338 HydrophobicContact CD1-CD1 4.41Å; F335-L338 VanDerWaalsContact O-CB 3.26Å; F335-L338 WeakPolarHBondContact O-CB 3.41Å; F335-L338 WeakPolarHBondContact O-CG 3.34Å; F335-L338 PolarHBondContact O-N 3.48Å
339	E	59.7	Low	57.9	Low	152 Å²	152	69.8 Å²	69.8	71%	0.71	40%	0.404	S	S	*	.			trans	-58.3	137.7	170.9	-59.6	-174	141.1	0	0	110.4	V341	E339-V341 HydrophobicContact CB-CG2 3.87Å; E339-V341 PolarHBondContact O-N 3.26Å
340	P	62.1	Low	57.2	Low	42 Å²	42	72.9 Å²	72.9	27%	0.273	42%	0.415	S	S	.	.			trans	-78	41.2	-175.1	35.9	-39.1	0	0	0	112.5	L35 F48	L35-P340 HydrophobicContact CB-CB 4.24Å; L35-P340 VanDerWaalsContact CD2-O 3.26Å; L35-P340 WeakPolarHBondContact CD2-O 3.39Å; L35-P340 WeakPolarHBondContact O-CG 3.46Å; F48-P340 HydrophobicContact CD1-CB 4.4Å
341	V	64.2	Low	56.4	Low	87 Å²	87	74.7 Å²	74.7	53%	0.527	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-84.7	133.1	-176.9	-173.3	0	0	0	0	110.6	K46 E339 S343	K46-V341 PolarHBondContact NZ-O 3.11Å; E339-V341 HydrophobicContact CB-CG2 3.87Å; E339-V341 PolarHBondContact O-N 3.26Å; V341-S343 PolarHBondContact O-N 3.36Å
342	Y	54.9	Low	55.7	Low	53 Å²	53	77 Å²	77	21%	0.208	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-63.1	127	167	-79.9	-71.6	0	0	0	110.3	V30 L35 F48 M64 V66	V30-Y342 HydrophobicContact CB-CE2 4.46Å; V30-Y342 HydrophobicContact CG1-CD2 4.16Å; V30-Y342 HydrophobicContact CG1-CE2 3.28Å; V30-Y342 WeakPolarHBondContact CG1-OH 3.4Å; V30-Y342 HydrophobicContact CG2-CE1 4.37Å; V30-Y342 HydrophobicContact CG2-CE2 4.44Å; L35-Y342 HydrophobicContact CD1-CE2 3.74Å; L35-Y342 WeakPolarHBondContact CD1-OH 3.49Å; L35-Y342 HydrophobicContact CD2-CD1 4.46Å; L35-Y342 HydrophobicContact CD2-CD2 3.76Å; L35-Y342 HydrophobicContact CD2-CE1 4.14Å; L35-Y342 HydrophobicContact CD2-CE2 3.36Å; L35-Y342 HydrophobicContact CD2-CG 4.29Å; L35-Y342 HydrophobicContact CG-CE2 4.17Å; F48-Y342 HydrophobicContact CE2-CE1 4.44Å; M64-Y342 HydrophobicContact SD-CE1 4.44Å; M64-Y342 PolarHBondContact SD-OH 3.15Å; V66-Y342 HydrophobicContact CG1-CE1 4.49Å; V66-Y342 HydrophobicContact CG2-CE1 4.33Å
343	S	51.6	Low	55.1	Low	37 Å²	37	81.7 Å²	81.7	26%	0.259	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-59.2	140.7	164.4	66.3	0	0	0	0	109.1	R68 K110 V341	R68-S343 PolarHBondContact NH2-OG 3.4Å; K110-S343 PolarHBondContact NZ-O 3.27Å; V341-S343 PolarHBondContact O-N 3.36Å
344	P	49	Very low	54.3	Low	108 Å²	108	84.4 Å²	84.4	70%	0.701	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-49.4	160.3	-177.2	-31.4	35.9	0	0	0	114.5	G346	P344-G346 PolarHBondContact O-N 3.44Å
345	P	49.5	Very low	53.9	Low	119 Å²	119	84.5 Å²	84.5	77%	0.773	49%	0.485	S	S	*	.			trans	-54.8	115	170	-21.1	33.2	0	0	0	109.8
346	G	53.6	Low	53.5	Low	46 Å²	46	85 Å²	85	47%	0.474	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-76.1	159.8	165.3	0	0	0	0	0	109.4	A109 P344	A109-G346 VanDerWaalsContact CB-O 3.3Å; A109-G346 WeakPolarHBondContact CB-O 3.38Å; P344-G346 PolarHBondContact O-N 3.44Å
347	S	50.6	Low	52.6	Low	103 Å²	103	88.3 Å²	88.3	72%	0.72	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-56.5	139.5	173	38.7	0	0	0	0	111.3
348	P	55.4	Low	51.5	Low	85 Å²	85	81.9 Å²	81.9	55%	0.552	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.4	152.1	175.8	27	-34	0	0	0	110.7
349	P	55.4	Low	51	Low	29 Å²	29	79 Å²	79	19%	0.188	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64.7	137.1	-177.5	24.8	-33.7	0	0	0	112.7	K69 V73 G351	K69-P349 HydrophobicContact CB-CG 4.19Å; V73-P349 HydrophobicContact CB-CB 3.97Å; V73-P349 HydrophobicContact CG1-CB 4.23Å; V73-P349 HydrophobicContact CG2-CB 3.81Å; V73-P349 HydrophobicContact CG2-CG 3.92Å; P349-G351 PolarHBondContact O-N 3.31Å; P349-G351 VanDerWaalsContact O-N 3.09Å
350	P	47.1	Very low	50.5	Low	115 Å²	115	74.3 Å²	74.3	75%	0.747	46%	0.461	S	S	*	.	S	Bend	trans	-71.3	104.6	171.5	28	-33.2	0	0	0	111.1	K77	K77-P350 PolarHBondContact NZ-O 3.36Å
351	G	51.2	Low	49.8	Very low	49 Å²	49	73.4 Å²	73.4	51%	0.505	45%	0.452	S	S	.	.	S	Bend	trans	167.6	-176.1	-179.7	0	0	0	0	0	112.1	P349	P349-G351 PolarHBondContact O-N 3.31Å; P349-G351 VanDerWaalsContact O-N 3.09Å
352	D	48.3	Very low	49	Very low	65 Å²	65	70.8 Å²	70.8	35%	0.348	44%	0.437	S	S	.	.			trans	-67	124.3	179.8	-171.4	-26.8	0	0	0	111.6	R354 I355	D352-R354 PolarHBondContact O-N 3.28Å; D352-R354 WeakPolarHBondContact OD1-CB 3.48Å; D352-R354 VanDerWaalsContact OD1-CG 3.24Å; D352-R354 WeakPolarHBondContact OD1-CG 3.24Å; D352-R354 IonicContact OD1-CZ 3.63Å; D352-R354 PolarHBondContact OD1-N 2.98Å; D352-R354 IonicContact OD1-NE 3.63Å; D352-R354 PolarHBondContact OD1-NE 3.21Å; D352-R354 IonicContact OD2-CZ 3.4Å; D352-R354 VanDerWaalsContact OD2-CZ 3.23Å; D352-R354 IonicContact OD2-NE 3.73Å; D352-R354 PolarHBondContact OD2-NE 2.78Å; D352-R354 IonicContact OD2-NH2 2.69Å; D352-R354 PolarHBondContact OD2-NH2 2.93Å; D352-I355 HydrophobicContact CB-CD1 4.35Å; D352-I355 HydrophobicContact CB-CG1 4.37Å; D352-I355 WeakPolarHBondContact O-CD1 3.26Å; D352-I355 VanDerWaalsContact O-CG1 3.27Å; D352-I355 WeakPolarHBondContact O-CG1 3.49Å; D352-I355 PolarHBondContact O-N 3.32Å
353	P	43.8	Very low	48.4	Very low	117 Å²	117	68.3 Å²	68.3	76%	0.76	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.5	178.8	26.3	-34.6	0	0	0	113.6	I355	P353-I355 PolarHBondContact O-N 3.25Å; P353-I355 VanDerWaalsContact O-N 3.15Å
354	R	43.7	Very low	48.2	Very low	168 Å²	168	67.6 Å²	67.6	63%	0.634	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16	-179.8	-62.2	176.6	-70.2	-170.7	2.4	113.7	D352 F356 Q357	D352-R354 PolarHBondContact O-N 3.28Å; D352-R354 WeakPolarHBondContact OD1-CB 3.48Å; D352-R354 VanDerWaalsContact OD1-CG 3.24Å; D352-R354 WeakPolarHBondContact OD1-CG 3.24Å; D352-R354 IonicContact OD1-CZ 3.63Å; D352-R354 PolarHBondContact OD1-N 2.98Å; D352-R354 IonicContact OD1-NE 3.63Å; D352-R354 PolarHBondContact OD1-NE 3.21Å; D352-R354 IonicContact OD2-CZ 3.4Å; D352-R354 VanDerWaalsContact OD2-CZ 3.23Å; D352-R354 IonicContact OD2-NE 3.73Å; D352-R354 PolarHBondContact OD2-NE 2.78Å; D352-R354 IonicContact OD2-NH2 2.69Å; D352-R354 PolarHBondContact OD2-NH2 2.93Å; R354-F356 PolarHBondContact O-N 3.4Å; R354-Q357 VanDerWaalsContact O-CB 3.31Å; R354-Q357 WeakPolarHBondContact O-CB 3.28Å; R354-Q357 PolarHBondContact O-N 3.2Å
355	I	44.8	Very low	48	Very low	90 Å²	90	64 Å²	64	46%	0.462	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-55.5	-25.5	-179.5	-66.9	169.7	0	0	0	113.4	D352 P353	D352-I355 HydrophobicContact CB-CD1 4.35Å; D352-I355 HydrophobicContact CB-CG1 4.37Å; D352-I355 WeakPolarHBondContact O-CD1 3.26Å; D352-I355 VanDerWaalsContact O-CG1 3.27Å; D352-I355 WeakPolarHBondContact O-CG1 3.49Å; D352-I355 PolarHBondContact O-N 3.32Å; P353-I355 PolarHBondContact O-N 3.25Å; P353-I355 VanDerWaalsContact O-N 3.15Å
356	F	48.2	Very low	48	Very low	35 Å²	35	59.4 Å²	59.4	15%	0.154	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-117	20.7	178.2	-57.7	-73.3	0	0	0	113.8	K69 L72 V73 Q106 L111 R354 Y359	K69-F356 HydrophobicContact CB-CE2 4.21Å; K69-F356 HydrophobicContact CD-CD2 4.1Å; K69-F356 HydrophobicContact CD-CE2 4.28Å; K69-F356 HydrophobicContact CG-CD2 4.2Å; K69-F356 HydrophobicContact CG-CE2 3.98Å; K69-F356 HydrophobicContact CG-CZ 4.35Å; L72-F356 HydrophobicContact CB-CZ 4.32Å; V73-F356 HydrophobicContact CG2-CE2 3.6Å; V73-F356 HydrophobicContact CG2-CZ 3.77Å; Q106-F356 PolarHBondContact NE2-O 2.94Å; L111-F356 HydrophobicContact CD1-CD1 3.94Å; L111-F356 HydrophobicContact CD1-CE1 3.89Å; L111-F356 HydrophobicContact CD2-CD1 4.18Å; L111-F356 HydrophobicContact CD2-CG 4.34Å; R354-F356 PolarHBondContact O-N 3.4Å; F356-Y359 WeakPolarHBondContact O-CB 3.23Å; F356-Y359 PolarHBondContact O-N 2.98Å
357	Q	44.3	Very low	47.7	Very low	95 Å²	95	59.8 Å²	59.8	44%	0.444	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	142.4	176.4	-157.8	163.5	14.3	0	0	110.6	L21 R354 Y359	L21-Q357 HydrophobicContact CD1-CG 4.37Å; L21-Q357 VanDerWaalsContact CD1-NE2 3.3Å; R354-Q357 VanDerWaalsContact O-CB 3.31Å; R354-Q357 WeakPolarHBondContact O-CB 3.28Å; R354-Q357 PolarHBondContact O-N 3.2Å; Q357-Y359 VanDerWaalsContact C-N 3.3Å; Q357-Y359 PolarHBondContact O-N 3.35Å
358	G	44.8	Very low	47.5	Very low	50 Å²	50	55.9 Å²	55.9	52%	0.515	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	7.3	-177.8	0	0	0	0	0	116.6	S360 R445	G358-S360 VanDerWaalsContact C-N 3.34Å; G358-S360 PolarHBondContact O-N 2.9Å; G358-R445 PolarHBondContact O-NH2 3.37Å
359	Y	47.7	Very low	46.9	Very low	15 Å²	15	55.8 Å²	55.8	6%	0.059	32%	0.323	C	S	.	.			trans	-62.8	-35.5	-179.5	-169.4	-95.1	0	0	0	114	R86 A104 F105 Q106 L111 L113 F356 Q357 R445	R86-Y359 HydrophobicContact CB-CE2 4.07Å; R86-Y359 VanDerWaalsContact CD-O 3.25Å; R86-Y359 WeakPolarHBondContact CD-O 3.27Å; A104-Y359 HydrophobicContact CB-CD1 4.3Å; A104-Y359 HydrophobicContact CB-CE1 3.94Å; F105-Y359 WeakPolarHBondContact O-CE1 3.35Å; Q106-Y359 HydrophobicContact CB-CD1 4.34Å; L111-Y359 HydrophobicContact CB-CE1 3.88Å; L111-Y359 HydrophobicContact CD1-CD2 4.3Å; L111-Y359 HydrophobicContact CD1-CE2 3.77Å; L111-Y359 HydrophobicContact CD2-CD1 4.04Å; L111-Y359 HydrophobicContact CD2-CD2 4.33Å; L111-Y359 HydrophobicContact CD2-CE1 4.07Å; L111-Y359 HydrophobicContact CD2-CE2 4.38Å; L111-Y359 HydrophobicContact CD2-CG 4.17Å; L111-Y359 HydrophobicContact CG-CE1 4.38Å; L111-Y359 HydrophobicContact CG-CE2 4.45Å; L113-Y359 WeakPolarHBondContact CD2-OH 3.42Å; L113-Y359 WeakPolarHBondContact CG-OH 3.32Å; F356-Y359 WeakPolarHBondContact O-CB 3.23Å; F356-Y359 PolarHBondContact O-N 2.98Å; Q357-Y359 VanDerWaalsContact C-N 3.3Å; Q357-Y359 PolarHBondContact O-N 3.35Å; Y359-R445 PolarHBondContact O-NH2 3.27Å
360	S	49.8	Very low	46.1	Very low	53 Å²	53	60.2 Å²	60.2	37%	0.371	34%	0.341	S	S	.	.			trans	-61.7	135.7	-175.5	-51.6	0	0	0	0	112.8	A104 G358 R445	A104-S360 CarbonylContact O-C 3.57Å; A104-S360 VanDerWaalsContact O-CA 3.27Å; A104-S360 WeakPolarHBondContact O-CA 3.48Å; G358-S360 VanDerWaalsContact C-N 3.34Å; G358-S360 PolarHBondContact O-N 2.9Å; S360-R445 PolarHBondContact O-NH2 3.46Å
361	F	48	Very low	45.8	Very low	22 Å²	22	61.4 Å²	61.4	10%	0.096	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	141.6	-172.4	-179.4	-123.9	0	0	0	112	E90 L101 Y103 A104 A363	E90-F361 HydrophobicContact CG-CE1 4.12Å; E90-F361 HydrophobicContact CG-CZ 4.24Å; L101-F361 HydrophobicContact CD2-CD1 4.02Å; L101-F361 HydrophobicContact CD2-CE1 4.23Å; L101-F361 HydrophobicContact CG-CD1 4.33Å; L101-F361 HydrophobicContact CG-CE1 4.42Å; Y103-F361 WeakPolarHBondContact CA-O 3.48Å; A104-F361 HydrophobicContact CB-CB 3.88Å; A104-F361 PolarHBondContact N-O 3.21Å; A104-F361 PolarHBondContact O-N 2.86Å; F361-A363 HydrophobicContact CE1-CB 4.11Å; F361-A363 HydrophobicContact CZ-CB 4.14Å
362	V	47.6	Very low	45.1	Very low	33 Å²	33	61.3 Å²	61.3	20%	0.2	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.6	162.6	-175	0	0	0	0	107.1	V28 Y103 I366 L367	V28-V362 HydrophobicContact CG2-CG2 4.14Å; Y103-V362 HydrophobicContact CD1-CB 4.37Å; Y103-V362 HydrophobicContact CD1-CG1 3.99Å; Y103-V362 HydrophobicContact CD1-CG2 4.14Å; Y103-V362 HydrophobicContact CE1-CG1 3.82Å; V362-I366 HydrophobicContact CG1-CG2 4.45Å; V362-L367 HydrophobicContact CG1-CD1 4.24Å; V362-L367 HydrophobicContact CG1-CD2 3.98Å; V362-L367 HydrophobicContact CG1-CG 3.99Å
363	A	42.4	Very low	44.3	Very low	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.346	C	S	.	.			trans	-70	131.4	-179.1	0	0	0	0	0	112	H102 F361 S365 I366	H102-A363 WeakPolarHBondContact O-CB 3.45Å; H102-A363 PolarHBondContact O-N 3.48Å; F361-A363 HydrophobicContact CE1-CB 4.11Å; F361-A363 HydrophobicContact CZ-CB 4.14Å; A363-S365 VanDerWaalsContact C-N 3.27Å; A363-S365 PolarHBondContact O-N 2.95Å; A363-I366 HydrophobicContact CB-CB 4.37Å; A363-I366 HydrophobicContact CB-CG1 4.1Å; A363-I366 WeakPolarHBondContact O-CB 3.42Å; A363-I366 PolarHBondContact O-N 3.2Å
364	P	46.4	Very low	44.1	Very low	23 Å²	23	59.5 Å²	59.5	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-32.6	-179.2	-28.3	35.8	0	0	0	114.5	I366 L367 F368	P364-I366 PolarHBondContact O-N 2.89Å; P364-L367 PolarHBondContact O-N 2.83Å; P364-L367 VanDerWaalsContact O-N 3.15Å; P364-F368 VanDerWaalsContact O-CD2 3.23Å; P364-F368 WeakPolarHBondContact O-CD2 3.36Å; P364-F368 PolarHBondContact O-N 3.46Å
365	S	46.2	Very low	43.5	Very low	33 Å²	33	54.4 Å²	54.4	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-31	175.3	51.9	0	0	0	0	112.7	R93 A363 L367 D369	R93-S365 PolarHBondContact NH1-OG 3.3Å; A363-S365 VanDerWaalsContact C-N 3.27Å; A363-S365 PolarHBondContact O-N 2.95Å; S365-L367 VanDerWaalsContact C-N 3.28Å; S365-L367 PolarHBondContact O-N 2.94Å; S365-D369 WeakPolarHBondContact O-CB 3.36Å; S365-D369 PolarHBondContact O-N 3.3Å
366	I	49.3	Very low	42.9	Very low	21 Å²	21	54.5 Å²	54.5	11%	0.108	32%	0.316	C	S	.	.	H	α-helix	trans	-74.2	-20.5	178.7	-71.1	-69.8	0	0	0	111.8	H56 Y103 V362 A363 P364	H56-I366 VanDerWaalsContact CD2-CG2 3.45Å; H56-I366 WeakPolarHBondContact CD2-CG2 3.35Å; H56-I366 PolarHBondContact CD2-O 3.16Å; H56-I366 WeakPolarHBondContact NE2-CG2 3.37Å; Y103-I366 HydrophobicContact CE1-CG2 4.25Å; Y103-I366 WeakPolarHBondContact OH-CG2 3.15Å; V362-I366 HydrophobicContact CG1-CG2 4.45Å; A363-I366 HydrophobicContact CB-CB 4.37Å; A363-I366 HydrophobicContact CB-CG1 4.1Å; A363-I366 WeakPolarHBondContact O-CB 3.42Å; A363-I366 PolarHBondContact O-N 3.2Å; P364-I366 PolarHBondContact O-N 2.89Å
367	L	47.2	Very low	42.3	Very low	54 Å²	54	58.1 Å²	58.1	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-91.1	-20.9	177.6	-64.2	173.8	0	0	0	113.9	V362 P364 S365	V362-L367 HydrophobicContact CG1-CD1 4.24Å; V362-L367 HydrophobicContact CG1-CD2 3.98Å; V362-L367 HydrophobicContact CG1-CG 3.99Å; P364-L367 PolarHBondContact O-N 2.83Å; P364-L367 VanDerWaalsContact O-N 3.15Å; S365-L367 VanDerWaalsContact C-N 3.28Å; S365-L367 PolarHBondContact O-N 2.94Å
368	F	46.5	Very low	42	Very low	21 Å²	21	57.3 Å²	57.3	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-134.3	18.5	-167.7	-55.2	-62.4	0	0	0	114.9	P364 L410 V424 R426 I441	P364-F368 VanDerWaalsContact O-CD2 3.23Å; P364-F368 WeakPolarHBondContact O-CD2 3.36Å; P364-F368 PolarHBondContact O-N 3.46Å; F368-L410 HydrophobicContact CD1-CD2 3.94Å; F368-L410 HydrophobicContact CE1-CD2 4.07Å; F368-V424 HydrophobicContact CD2-CG1 3.96Å; F368-V424 HydrophobicContact CG-CG1 4.43Å; F368-R426 PolarHBondContact O-NE 3.34Å; F368-R426 PolarHBondContact O-NH2 2.68Å; F368-I441 HydrophobicContact CD1-CD1 4.25Å; F368-I441 HydrophobicContact CD2-CD1 4.42Å; F368-I441 HydrophobicContact CE1-CD1 3.91Å; F368-I441 HydrophobicContact CE2-CD1 4.1Å; F368-I441 HydrophobicContact CE2-CG2 3.91Å; F368-I441 HydrophobicContact CZ-CD1 3.83Å; F368-I441 HydrophobicContact CZ-CG2 4.06Å
369	D	41.3	Very low	41.5	Very low	83 Å²	83	60.6 Å²	60.6	44%	0.444	34%	0.344	S	S	.	.			trans	-68.3	142.9	177.2	-151.7	-41.2	0	0	0	112.4	S365 N371	S365-D369 WeakPolarHBondContact O-CB 3.36Å; S365-D369 PolarHBondContact O-N 3.3Å; D369-N371 PolarHBondContact OD1-N 3.06Å
370	H	39.5	Very low	40.7	Very low	123 Å²	123	68 Å²	68	57%	0.569	38%	0.379	S	S	*	.	S	Bend	trans	-76.1	-25.5	173.7	66.3	-28	0	0	0	114.5	N372	H370-N372 PolarHBondContact O-N 3.08Å
371	N	40.5	Very low	39.8	Very low	139 Å²	139	69.8 Å²	69.8	74%	0.743	40%	0.396	S	S	*	.			trans	-81.9	24.1	-174.8	-89.4	-17.5	0	0	0	113.6	D369	D369-N371 PolarHBondContact OD1-N 3.06Å
372	N	37.5	Very low	39.3	Very low	47 Å²	47	75.1 Å²	75.1	25%	0.251	43%	0.433	S	S	.	.			trans	-103.5	102.2	-172.1	-158.3	-22.6	0	0	0	112.3	H56 H370 V374	H56-N372 PolarHBondContact O-ND2 3.34Å; H56-N372 PolarHBondContact O-OD1 3.23Å; H370-N372 PolarHBondContact O-N 3.08Å; N372-V374 PolarHBondContact O-N 2.76Å; N372-V374 PolarHBondContact OD1-N 2.68Å
373	A	30.8	Very low	38.6	Very low	84 Å²	84	77 Å²	77	69%	0.694	46%	0.46	S	S	*	.	S	Bend	trans	-72.1	22.9	179.6	0	0	0	0	0	114.6
374	V	38.4	Very low	38.4	Very low	61 Å²	61	82.2 Å²	82.2	37%	0.37	50%	0.503	S	S	.	.	S	Bend	trans	-135.4	43.7	-178	-158.6	0	0	0	0	110.5	N372 R395	N372-V374 PolarHBondContact O-N 2.76Å; N372-V374 PolarHBondContact OD1-N 2.68Å; V374-R395 PolarHBondContact O-NH1 3.23Å
375	M	32.4	Very low	38	Very low	61 Å²	61	84.7 Å²	84.7	30%	0.3	53%	0.533	S	S	.	.	S	Bend	trans	-141.5	-14.1	174.2	-160.5	144.6	-169	0	0	114.1	D377 M399 L412	M375-D377 PolarHBondContact O-N 2.86Å; M375-M399 HydrophobicContact CE-CE 3.92Å; M375-M399 HydrophobicContact CE-SD 4.33Å; M375-L412 HydrophobicContact CE-CD1 3.31Å; M375-L412 HydrophobicContact CG-CD1 4.31Å; M375-L412 HydrophobicContact SD-CD1 3.39Å; M375-L412 WeakPolarHBondContact SD-CD1 3.22Å
376	T	32.2	Very low	37.5	Very low	92 Å²	92	90.6 Å²	90.6	56%	0.564	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-52.7	-43.9	157.7	32.7	0	0	0	0	111.4	V378 L379	T376-V378 PolarHBondContact O-N 2.91Å; T376-L379 PolarHBondContact O-N 3.22Å
377	D	34.8	Very low	37	Very low	110 Å²	110	94.8 Å²	94.8	59%	0.588	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-70.2	5.6	-171.2	-37.3	-7.9	0	0	0	113.9	M375	M375-D377 PolarHBondContact O-N 2.86Å
378	V	38.7	Very low	36.5	Very low	79 Å²	79	96.7 Å²	96.7	48%	0.479	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-112	-11.7	177.9	-173.7	0	0	0	0	111.5	T376	T376-V378 PolarHBondContact O-N 2.91Å
379	L	34.3	Very low	36	Very low	119 Å²	119	98 Å²	98	62%	0.623	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-14.3	-177.3	-73.5	170.3	0	0	0	114.2	T376	T376-L379 PolarHBondContact O-N 3.22Å
380	E	30.7	Very low	35.7	Very low	170 Å²	170	105.2 Å²	105.2	79%	0.794	65%	0.646	S	S	*	*	S	Bend	trans	-87.3	130.4	167.5	-64.1	-164.7	162.1	0	0	110.5
381	A	31.7	Very low	35.3	Very low	90 Å²	90	100.5 Å²	100.5	74%	0.744	63%	0.628	S	S	*	*			trans	-66	148.2	179.3	0	0	0	0	0	111	G383	A381-G383 PolarHBondContact O-N 3.13Å
382	P	35.9	Very low	35	Very low	134 Å²	134	95.6 Å²	95.6	87%	0.87	61%	0.607	S	S	*	*			trans	-68.5	90.5	-164.8	26.1	-35.9	0	0	0	114.2	A384	P382-A384 PolarHBondContact O-N 3.48Å; P382-A384 VanDerWaalsContact O-N 3.12Å
383	G	33.4	Very low	34.8	Very low	74 Å²	74	97.1 Å²	97.1	76%	0.763	62%	0.618	S	S	*	*			trans	-76.4	85.5	168	0	0	0	0	0	112	A381	A381-G383 PolarHBondContact O-N 3.13Å
384	A	39.6	Very low	35	Very low	108 Å²	108	94.5 Å²	94.5	89%	0.893	60%	0.596	S	S	*	*	S	Bend	trans	24.9	99.7	162.6	0	0	0	0	0	117.8	P382	P382-A384 PolarHBondContact O-N 3.48Å; P382-A384 VanDerWaalsContact O-N 3.12Å
385	G	37.9	Very low	35.1	Very low	76 Å²	76	93.9 Å²	93.9	78%	0.784	59%	0.587	S	S	*	*	S	Bend	trans	-168.9	-105.7	174.3	0	0	0	0	0	112.5
386	D	34.9	Very low	35.3	Very low	157 Å²	157	93 Å²	93	84%	0.84	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-98.9	156.2	-173.2	-80.2	-61.3	0	0	0	114.3
387	P	38.6	Very low	35.5	Very low	108 Å²	108	90.3 Å²	90.3	70%	0.701	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-65.3	136.1	168.6	-15.7	30	0	0	0	111	G389	P387-G389 PolarHBondContact O-N 3.46Å; P387-G389 VanDerWaalsContact O-N 3.13Å
388	P	37.2	Very low	35.9	Very low	95 Å²	95	87.5 Å²	87.5	62%	0.617	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-60.3	121.2	174.6	24.7	-33.2	0	0	0	109.9	A392 V393	P388-A392 HydrophobicContact CB-CB 4.35Å; P388-V393 HydrophobicContact CB-CG2 4.19Å; P388-V393 HydrophobicContact CG-CG2 4.1Å; P388-V393 WeakPolarHBondContact O-CG2 3.4Å
389	G	35.6	Very low	36.4	Very low	47 Å²	47	86.4 Å²	86.4	49%	0.485	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-58.6	153.7	-177.4	0	0	0	0	0	112.3	P387 A391 A392 V393	P387-G389 PolarHBondContact O-N 3.46Å; P387-G389 VanDerWaalsContact O-N 3.13Å; G389-A391 PolarHBondContact O-N 2.85Å; G389-A392 WeakPolarHBondContact O-CA 3.39Å; G389-A392 WeakPolarHBondContact O-CB 3.49Å; G389-A392 PolarHBondContact O-N 2.81Å; G389-V393 PolarHBondContact O-N 3.28Å; G389-V393 VanDerWaalsContact O-N 3.11Å
390	R	35.2	Very low	37.1	Very low	235 Å²	235	86.5 Å²	86.5	89%	0.887	55%	0.545	S	S	*	.	H	α-helix	trans	-50.8	-32.5	-174.8	-74.9	-176.6	174.1	-178.6	-3.1	114.4	V393 A394	R390-V393 PolarHBondContact O-N 2.82Å; R390-A394 VanDerWaalsContact O-CB 3.23Å; R390-A394 WeakPolarHBondContact O-CB 3.46Å; R390-A394 PolarHBondContact O-N 2.94Å
391	A	31.6	Very low	38.2	Very low	25 Å²	25	83.1 Å²	83.1	21%	0.207	53%	0.533	C	S	.	.	H	α-helix	trans	-80.3	-14.3	177.1	0	0	0	0	0	114.9	G389 R395	G389-A391 PolarHBondContact O-N 2.85Å; A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 VanDerWaalsContact O-CG 3.3Å; A391-R395 WeakPolarHBondContact O-CG 3.38Å; A391-R395 PolarHBondContact O-N 3.21Å; A391-R395 PolarHBondContact O-NE 3.4Å
392	A	33.1	Very low	40	Very low	36 Å²	36	78.9 Å²	78.9	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-81.5	-44.1	164.8	0	0	0	0	0	109.8	P388 G389 A394 R395 S396	P388-A392 HydrophobicContact CB-CB 4.35Å; G389-A392 WeakPolarHBondContact O-CA 3.39Å; G389-A392 WeakPolarHBondContact O-CB 3.49Å; G389-A392 PolarHBondContact O-N 2.81Å; A392-A394 PolarHBondContact O-N 3.25Å; A392-R395 PolarHBondContact O-N 3.37Å; A392-S396 VanDerWaalsContact O-CB 3.28Å; A392-S396 WeakPolarHBondContact O-CB 3.33Å; A392-S396 PolarHBondContact O-N 3.18Å
393	V	34.3	Very low	42	Very low	79 Å²	79	74.9 Å²	74.9	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-60	-45.8	174	-178.8	0	0	0	0	111.3	P388 G389 R390 S396 A397	P388-V393 HydrophobicContact CB-CG2 4.19Å; P388-V393 HydrophobicContact CG-CG2 4.1Å; P388-V393 WeakPolarHBondContact O-CG2 3.4Å; G389-V393 PolarHBondContact O-N 3.28Å; G389-V393 VanDerWaalsContact O-N 3.11Å; R390-V393 PolarHBondContact O-N 2.82Å; V393-S396 PolarHBondContact O-N 2.89Å; V393-A397 WeakPolarHBondContact O-CB 3.45Å; V393-A397 PolarHBondContact O-N 2.76Å
394	A	34.4	Very low	44.5	Very low	28 Å²	28	71.3 Å²	71.3	23%	0.231	44%	0.435	C	S	.	.	H	α-helix	trans	-67	-42	178.7	0	0	0	0	0	113.1	R390 A392 S396 A397 M398	R390-A394 VanDerWaalsContact O-CB 3.23Å; R390-A394 WeakPolarHBondContact O-CB 3.46Å; R390-A394 PolarHBondContact O-N 2.94Å; A392-A394 PolarHBondContact O-N 3.25Å; A394-S396 VanDerWaalsContact C-N 3.34Å; A394-A397 PolarHBondContact O-N 3.45Å; A394-M398 WeakPolarHBondContact O-CG 3.34Å; A394-M398 PolarHBondContact O-N 2.93Å
395	R	40.1	Very low	46.4	Very low	49 Å²	49	66.8 Å²	66.8	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-65.5	-37.6	173.7	-76.6	-177.2	-67.8	154.3	1.9	111.8	V374 A391 A392 M399	V374-R395 PolarHBondContact O-NH1 3.23Å; A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 VanDerWaalsContact O-CG 3.3Å; A391-R395 WeakPolarHBondContact O-CG 3.38Å; A391-R395 PolarHBondContact O-N 3.21Å; A391-R395 PolarHBondContact O-NE 3.4Å; A392-R395 PolarHBondContact O-N 3.37Å; R395-M399 WeakPolarHBondContact O-CG 3.49Å; R395-M399 PolarHBondContact O-N 2.82Å
396	S	36.8	Very low	48.5	Very low	43 Å²	43	68.4 Å²	68.4	30%	0.301	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-42.4	173	-160.1	0	0	0	0	111.3	A392 V393 A394 M399 Q400	A392-S396 VanDerWaalsContact O-CB 3.28Å; A392-S396 WeakPolarHBondContact O-CB 3.33Å; A392-S396 PolarHBondContact O-N 3.18Å; V393-S396 PolarHBondContact O-N 2.89Å; A394-S396 VanDerWaalsContact C-N 3.34Å; S396-M399 CarbonylContact O-C 3.38Å; S396-M399 WeakPolarHBondContact O-CA 3.49Å; S396-M399 PolarHBondContact O-N 3.23Å; S396-M399 VanDerWaalsContact O-N 3.1Å; S396-Q400 WeakPolarHBondContact O-CB 3.18Å; S396-Q400 VanDerWaalsContact O-CG 3.24Å; S396-Q400 WeakPolarHBondContact O-CG 3.31Å; S396-Q400 PolarHBondContact O-N 2.86Å; S396-Q400 PolarHBondContact OG-NE2 2.71Å
397	A	36.9	Very low	50.8	Low	35 Å²	35	64 Å²	64	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-46.2	175.6	0	0	0	0	0	112.4	V393 A394 M399 Q400 D401	V393-A397 WeakPolarHBondContact O-CB 3.45Å; V393-A397 PolarHBondContact O-N 2.76Å; A394-A397 PolarHBondContact O-N 3.45Å; A397-M399 PolarHBondContact O-N 3.14Å; A397-M399 VanDerWaalsContact O-N 3.15Å; A397-Q400 PolarHBondContact O-N 2.82Å; A397-D401 PolarHBondContact O-N 2.83Å
398	M	43.6	Very low	53	Low	50 Å²	50	58.9 Å²	58.9	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-22.1	174.1	-68.4	178.6	75.6	0	0	113.1	H24 E26 A394 S402 L477	H24-M398 HydrophobicContact CB-CE 4.29Å; E26-M398 HydrophobicContact CB-SD 4.14Å; A394-M398 WeakPolarHBondContact O-CG 3.34Å; A394-M398 PolarHBondContact O-N 2.93Å; M398-S402 VanDerWaalsContact O-CB 3.26Å; M398-S402 WeakPolarHBondContact O-CB 3.28Å; M398-L477 HydrophobicContact CE-CD1 4.04Å
399	M	49.3	Very low	55.2	Low	57 Å²	57	57.1 Å²	57.1	28%	0.281	31%	0.307	S	S	.	.	H	α-helix	trans	-93.4	-13.7	170.5	-68	-179.5	176	0	0	113.8	M375 R395 S396 A397 F405	M375-M399 HydrophobicContact CE-CE 3.92Å; M375-M399 HydrophobicContact CE-SD 4.33Å; R395-M399 WeakPolarHBondContact O-CG 3.49Å; R395-M399 PolarHBondContact O-N 2.82Å; S396-M399 CarbonylContact O-C 3.38Å; S396-M399 WeakPolarHBondContact O-CA 3.49Å; S396-M399 PolarHBondContact O-N 3.23Å; S396-M399 VanDerWaalsContact O-N 3.1Å; A397-M399 PolarHBondContact O-N 3.14Å; A397-M399 VanDerWaalsContact O-N 3.15Å; M399-F405 HydrophobicContact CB-CB 4.03Å; M399-F405 HydrophobicContact CB-CD1 4.47Å; M399-F405 HydrophobicContact CB-CD2 4.37Å; M399-F405 HydrophobicContact CB-CG 4.08Å; M399-F405 HydrophobicContact CE-CE1 4.18Å; M399-F405 HydrophobicContact CE-CZ 4.01Å; M399-F405 HydrophobicContact CG-CD1 4.2Å; M399-F405 HydrophobicContact CG-CD2 4.01Å; M399-F405 HydrophobicContact CG-CE1 4.37Å; M399-F405 HydrophobicContact CG-CE2 4.2Å; M399-F405 HydrophobicContact CG-CG 4.01Å; M399-F405 HydrophobicContact CG-CZ 4.38Å; M399-F405 WeakPolarHBondContact O-CB 3.49Å; M399-F405 HydrophobicContact SD-CD1 4.46Å; M399-F405 HydrophobicContact SD-CE1 4.32Å
400	Q	47.9	Very low	57.1	Low	120 Å²	120	55.8 Å²	55.8	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-88.7	-34.3	173.6	-74.3	169.9	44.1	0	0	111.4	S396 A397 Q406	S396-Q400 WeakPolarHBondContact O-CB 3.18Å; S396-Q400 VanDerWaalsContact O-CG 3.24Å; S396-Q400 WeakPolarHBondContact O-CG 3.31Å; S396-Q400 PolarHBondContact O-N 2.86Å; S396-Q400 PolarHBondContact OG-NE2 2.71Å; A397-Q400 PolarHBondContact O-N 2.82Å; Q400-Q406 WeakPolarHBondContact O-CG 3.46Å; Q400-Q406 PolarHBondContact O-NE2 2.88Å
401	D	53.8	Low	58.9	Low	99 Å²	99	45 Å²	45	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-84.1	-22.4	179.2	-69.1	-21.1	0	0	0	113.5	A397 P403	A397-D401 PolarHBondContact O-N 2.83Å; D401-P403 WeakPolarHBondContact O-CD 3.4Å
402	S	70.1	Confident	60.3	Low	1 Å²	1	45.7 Å²	45.7	1%	0.007	25%	0.249	C	C	.	.	S	Bend	trans	-75.2	121.4	-178.6	177.7	0	0	0	0	111	M398 F404 F405 Q406	M398-S402 VanDerWaalsContact O-CB 3.26Å; M398-S402 WeakPolarHBondContact O-CB 3.28Å; S402-F404 PolarHBondContact O-N 3.17Å; S402-F404 VanDerWaalsContact O-N 3.09Å; S402-F405 PolarHBondContact O-N 2.9Å; S402-Q406 WeakPolarHBondContact O-CG 3.45Å; S402-Q406 PolarHBondContact O-N 2.83Å; S402-Q406 VanDerWaalsContact O-N 3.08Å
403	P	78.6	Confident	61.8	Low	50 Å²	50	52.5 Å²	52.5	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-56.2	-31.4	-177.9	-27.6	35.7	0	0	0	113.9	D401	D401-P403 WeakPolarHBondContact O-CD 3.4Å
404	F	84.1	Confident	63.2	Low	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-54	173	175.5	-109.3	0	0	0	111.5	S402 Q406 Q407 Y408 C428 V439 H473 Y480 V482	S402-F404 PolarHBondContact O-N 3.17Å; S402-F404 VanDerWaalsContact O-N 3.09Å; F404-Q406 VanDerWaalsContact C-N 3.31Å; F404-Q406 PolarHBondContact O-N 2.83Å; F404-Q407 PolarHBondContact O-N 2.92Å; F404-Q407 VanDerWaalsContact O-N 3.09Å; F404-Y408 AromaticContact CD2-CD2 3.77Å; F404-Y408 HydrophobicContact CD2-CD2 3.77Å; F404-Y408 HydrophobicContact CD2-CG 4.1Å; F404-Y408 HydrophobicContact CE2-CD1 4.41Å; F404-Y408 AromaticContact CE2-CD2 3.8Å; F404-Y408 HydrophobicContact CE2-CD2 3.8Å; F404-Y408 AromaticContact CE2-CG 3.65Å; F404-Y408 HydrophobicContact CE2-CG 3.65Å; F404-Y408 HydrophobicContact CZ-CG 4.29Å; F404-Y408 WeakPolarHBondContact O-CB 3.5Å; F404-Y408 WeakPolarHBondContact O-CD2 3.27Å; F404-Y408 PolarHBondContact O-N 3.03Å; F404-C428 HydrophobicContact CZ-CB 3.97Å; F404-V439 HydrophobicContact CE2-CB 4.28Å; F404-V439 HydrophobicContact CE2-CG2 3.86Å; F404-V439 HydrophobicContact CZ-CB 4.11Å; F404-V439 HydrophobicContact CZ-CG1 3.94Å; F404-V439 HydrophobicContact CZ-CG2 3.89Å; F404-H473 HydrophobicContact CB-CB 3.74Å; F404-H473 HydrophobicContact CD2-CB 4.46Å; F404-Y480 HydrophobicContact CB-CD1 4.33Å; F404-Y480 HydrophobicContact CB-CD2 3.95Å; F404-Y480 HydrophobicContact CB-CE2 4.24Å; F404-Y480 HydrophobicContact CB-CG 4.01Å; F404-Y480 AromaticContact CD1-CD1 3.56Å; F404-Y480 HydrophobicContact CD1-CD1 3.56Å; F404-Y480 AromaticContact CD1-CE1 3.68Å; F404-Y480 HydrophobicContact CD1-CE1 3.68Å; F404-Y480 HydrophobicContact CD1-CG 4.1Å; F404-Y480 HydrophobicContact CD2-CD1 4.26Å; F404-Y480 HydrophobicContact CD2-CG 4.19Å; F404-Y480 AromaticContact CE1-CD1 3.92Å; F404-Y480 HydrophobicContact CE1-CD1 3.92Å; F404-Y480 HydrophobicContact CE1-CE1 4.15Å; F404-Y480 AromaticContact CG-CD1 3.76Å; F404-Y480 HydrophobicContact CG-CD1 3.76Å; F404-Y480 HydrophobicContact CG-CD2 4.25Å; F404-Y480 HydrophobicContact CG-CE1 4.22Å; F404-Y480 AromaticContact CG-CG 3.81Å; F404-Y480 HydrophobicContact CG-CG 3.81Å; F404-Y480 HydrophobicContact CZ-CD1 4.42Å; F404-V482 HydrophobicContact CD2-CG2 4.03Å; F404-V482 HydrophobicContact CE2-CG2 3.82Å
405	F	80.3	Confident	64.5	Low	13 Å²	13	56.4 Å²	56.4	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-75.4	-18.6	-173.3	-73.6	-75	0	0	0	113.9	M399 S402 Q407 Y408 L410 R431 Y480	M399-F405 HydrophobicContact CB-CB 4.03Å; M399-F405 HydrophobicContact CB-CD1 4.47Å; M399-F405 HydrophobicContact CB-CD2 4.37Å; M399-F405 HydrophobicContact CB-CG 4.08Å; M399-F405 HydrophobicContact CE-CE1 4.18Å; M399-F405 HydrophobicContact CE-CZ 4.01Å; M399-F405 HydrophobicContact CG-CD1 4.2Å; M399-F405 HydrophobicContact CG-CD2 4.01Å; M399-F405 HydrophobicContact CG-CE1 4.37Å; M399-F405 HydrophobicContact CG-CE2 4.2Å; M399-F405 HydrophobicContact CG-CG 4.01Å; M399-F405 HydrophobicContact CG-CZ 4.38Å; M399-F405 WeakPolarHBondContact O-CB 3.49Å; M399-F405 HydrophobicContact SD-CD1 4.46Å; M399-F405 HydrophobicContact SD-CE1 4.32Å; S402-F405 PolarHBondContact O-N 2.9Å; F405-Q407 VanDerWaalsContact C-N 3.3Å; F405-Y408 CarbonylContact C-O 3.39Å; F405-Y408 WeakPolarHBondContact CA-O 3.33Å; F405-Y408 VanDerWaalsContact O-O 3.1Å; F405-L410 HydrophobicContact CE1-CB 3.81Å; F405-L410 HydrophobicContact CE1-CD2 4.32Å; F405-L410 HydrophobicContact CZ-CD2 4.3Å; F405-R431 PolarHBondContact O-NE 2.96Å; F405-R431 PolarHBondContact O-NH2 3.25Å; F405-Y480 HydrophobicContact CE2-CE1 4.17Å
406	Q	82.8	Confident	65.6	Low	109 Å²	109	56 Å²	56	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-33	166.1	-70.8	173.8	2	0	0	112.6	Q400 S402 F404 R431	Q400-Q406 WeakPolarHBondContact O-CG 3.46Å; Q400-Q406 PolarHBondContact O-NE2 2.88Å; S402-Q406 WeakPolarHBondContact O-CG 3.45Å; S402-Q406 PolarHBondContact O-N 2.83Å; S402-Q406 VanDerWaalsContact O-N 3.08Å; F404-Q406 VanDerWaalsContact C-N 3.31Å; F404-Q406 PolarHBondContact O-N 2.83Å; Q406-R431 WeakPolarHBondContact O-CD 3.26Å
407	Q	83.3	Confident	67.2	Low	65 Å²	65	58.4 Å²	58.4	30%	0.304	30%	0.3	S	S	.	.	H	α-helix	trans	-105.2	-24.7	-175.5	-63	-176.3	7.6	0	0	113.3	F404 F405 Q430 R431 E471 H473	F404-Q407 PolarHBondContact O-N 2.92Å; F404-Q407 VanDerWaalsContact O-N 3.09Å; F405-Q407 VanDerWaalsContact C-N 3.3Å; Q407-Q430 CarbonylContact O-C 3.55Å; Q407-Q430 WeakPolarHBondContact O-CA 3.49Å; Q407-R431 PolarHBondContact O-N 3.41Å; Q407-E471 PolarHBondContact OE1-OE2 3.2Å; Q407-H473 PolarHBondContact OE1-CE1 2.9Å; Q407-H473 PolarHBondContact OE1-NE2 3.16Å
408	Y	84.4	Confident	68.4	Low	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.2	-175.5	-60.6	-95.7	0	0	0	112.4	F404 F405 R429 Q430 F437 H470 E471 H473 V482	F404-Y408 AromaticContact CD2-CD2 3.77Å; F404-Y408 HydrophobicContact CD2-CD2 3.77Å; F404-Y408 HydrophobicContact CD2-CG 4.1Å; F404-Y408 HydrophobicContact CE2-CD1 4.41Å; F404-Y408 AromaticContact CE2-CD2 3.8Å; F404-Y408 HydrophobicContact CE2-CD2 3.8Å; F404-Y408 AromaticContact CE2-CG 3.65Å; F404-Y408 HydrophobicContact CE2-CG 3.65Å; F404-Y408 HydrophobicContact CZ-CG 4.29Å; F404-Y408 WeakPolarHBondContact O-CB 3.5Å; F404-Y408 WeakPolarHBondContact O-CD2 3.27Å; F404-Y408 PolarHBondContact O-N 3.03Å; F405-Y408 CarbonylContact C-O 3.39Å; F405-Y408 WeakPolarHBondContact CA-O 3.33Å; F405-Y408 VanDerWaalsContact O-O 3.1Å; Y408-R429 CarbonylContact C-O 3.51Å; Y408-R429 VanDerWaalsContact CA-O 3.28Å; Y408-R429 WeakPolarHBondContact CA-O 3.46Å; Y408-Q430 HydrophobicContact CD1-CB 3.84Å; Y408-Q430 HydrophobicContact CD1-CG 4.27Å; Y408-Q430 HydrophobicContact CE1-CB 3.59Å; Y408-Q430 HydrophobicContact CE1-CG 3.8Å; Y408-Q430 PolarHBondContact OH-NE2 3.36Å; Y408-F437 HydrophobicContact CD1-CD2 4.36Å; Y408-F437 AromaticContact CE1-CD2 3.78Å; Y408-F437 HydrophobicContact CE1-CD2 3.78Å; Y408-F437 HydrophobicContact CE1-CE2 4.07Å; Y408-F437 HydrophobicContact CE1-CG 4.32Å; Y408-H470 PolarHBondContact OH-CE1 2.84Å; Y408-H470 PolarHBondContact OH-ND1 3.17Å; Y408-H470 VanDerWaalsContact OH-ND1 3.14Å; Y408-E471 WeakPolarHBondContact CE2-OE2 3.44Å; Y408-E471 VanDerWaalsContact CZ-OE2 3.27Å; Y408-E471 PolarHBondContact OH-OE2 3.42Å; Y408-H473 AromaticContact CE2-NE2 3.63Å; Y408-V482 HydrophobicContact CD1-CG1 4.44Å; Y408-V482 HydrophobicContact CE1-CG1 3.77Å; Y408-V482 HydrophobicContact CE2-CG2 4.34Å
409	E	82.2	Confident	68.7	Low	58 Å²	58	62.2 Å²	62.2	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.3	167	177.5	172.8	-106.3	0	0	108.7	C428 R429	E409-C428 CarbonylContact O-C 3.42Å; E409-C428 WeakPolarHBondContact O-CA 3.48Å; E409-C428 WeakPolarHBondContact O-CB 3.16Å; E409-R429 PolarHBondContact N-O 3.11Å; E409-R429 PolarHBondContact O-N 3.07Å; E409-R429 IonicContact OE2-NH1 3.91Å
410	L	76.8	Confident	68.4	Low	19 Å²	19	61 Å²	61	10%	0.099	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.3	178.9	-173.1	67.1	0	0	0	109.7	F368 F405 L412 R426 C428 V439 I441	F368-L410 HydrophobicContact CD1-CD2 3.94Å; F368-L410 HydrophobicContact CE1-CD2 4.07Å; F405-L410 HydrophobicContact CE1-CB 3.81Å; F405-L410 HydrophobicContact CE1-CD2 4.32Å; F405-L410 HydrophobicContact CZ-CD2 4.3Å; L410-L412 HydrophobicContact CD2-CD2 3.82Å; L410-L412 HydrophobicContact CD2-CG 4.38Å; L410-L412 HydrophobicContact CG-CD2 3.98Å; L410-L412 HydrophobicContact CG-CG 4.26Å; L410-R426 HydrophobicContact CD1-CB 3.84Å; L410-C428 HydrophobicContact CD1-CB 4.26Å; L410-V439 HydrophobicContact CD1-CG1 3.46Å; L410-V439 VanDerWaalsContact CD1-CG1 3.46Å; L410-I441 HydrophobicContact CD1-CD1 4.42Å; L410-I441 HydrophobicContact CD2-CD1 4.19Å
411	D	72.4	Confident	68	Low	10 Å²	10	58.5 Å²	58.5	5%	0.053	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-85.9	123.2	177.4	-171.4	42.1	0	0	0	111	R413 R426 R427	D411-R413 IonicContact OD1-CZ 3.27Å; D411-R413 VanDerWaalsContact OD1-CZ 3.27Å; D411-R413 IonicContact OD1-NE 2.89Å; D411-R413 PolarHBondContact OD1-NE 2.74Å; D411-R413 IonicContact OD1-NH2 2.77Å; D411-R413 PolarHBondContact OD1-NH2 2.94Å; D411-R426 PolarHBondContact O-NH1 2.84Å; D411-R427 HydrophobicContact CB-CB 4.21Å; D411-R427 HydrophobicContact CB-CG 4.33Å; D411-R427 PolarHBondContact N-O 2.87Å; D411-R427 IonicContact OD2-CZ 2.75Å; D411-R427 VanDerWaalsContact OD2-CZ 3.31Å; D411-R427 IonicContact OD2-NE 2.79Å; D411-R427 PolarHBondContact OD2-NE 2.97Å; D411-R427 IonicContact OD2-NH2 2.63Å; D411-R427 PolarHBondContact OD2-NH2 2.79Å
412	L	60.8	Low	67.6	Low	39 Å²	39	58.5 Å²	58.5	20%	0.204	31%	0.312	C	S	.	.			trans	-121.6	-7.8	-171.1	-64.2	174.8	0	0	0	113.2	M375 L410 R426	M375-L412 HydrophobicContact CE-CD1 3.31Å; M375-L412 HydrophobicContact CG-CD1 4.31Å; M375-L412 HydrophobicContact SD-CD1 3.39Å; M375-L412 WeakPolarHBondContact SD-CD1 3.22Å; L410-L412 HydrophobicContact CD2-CD2 3.82Å; L410-L412 HydrophobicContact CD2-CG 4.38Å; L410-L412 HydrophobicContact CG-CD2 3.98Å; L410-L412 HydrophobicContact CG-CG 4.26Å; L412-R426 VanDerWaalsContact CD2-CZ 3.45Å
413	R	65	Low	67.1	Low	178 Å²	178	59.7 Å²	59.7	67%	0.672	32%	0.32	S	S	*	.	S	Bend	trans	-69.7	-35.7	174.1	-65.3	166.4	-69	-146.4	-11	111.7	D411	D411-R413 IonicContact OD1-CZ 3.27Å; D411-R413 VanDerWaalsContact OD1-CZ 3.27Å; D411-R413 IonicContact OD1-NE 2.89Å; D411-R413 PolarHBondContact OD1-NE 2.74Å; D411-R413 IonicContact OD1-NH2 2.77Å; D411-R413 PolarHBondContact OD1-NH2 2.94Å
414	E	63.6	Low	66.4	Low	91 Å²	91	57.8 Å²	57.8	43%	0.425	31%	0.307	S	S	.	.	S	Bend	trans	-88.9	152.7	175.7	-76.3	173.2	-158.7	0	0	111.4	R426 R427	E414-R426 PolarHBondContact O-NH1 3.37Å; E414-R427 IonicContact OE1-CZ 2.83Å; E414-R427 IonicContact OE1-NH1 3.75Å; E414-R427 IonicContact OE1-NH2 2.72Å; E414-R427 PolarHBondContact OE1-NH2 2.93Å; E414-R427 IonicContact OE2-CZ 3.51Å; E414-R427 IonicContact OE2-NE 3.74Å; E414-R427 IonicContact OE2-NH2 3.96Å; E414-R427 PolarHBondContact OE2-NH2 2.98Å; E414-R427 VanDerWaalsContact OE2-NH2 3.15Å
415	P	61	Low	66	Low	99 Å²	99	59.3 Å²	59.3	64%	0.643	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-61.1	161.4	173.9	27.3	-35.4	0	0	0	111.7	L417	P415-L417 PolarHBondContact O-N 3.03Å
416	A	65	Low	66.1	Low	40 Å²	40	59 Å²	59	33%	0.331	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-61.7	136.7	174.6	0	0	0	0	0	110.9	G418 V424 C425 R426	A416-G418 PolarHBondContact O-N 3.37Å; A416-V424 HydrophobicContact CB-CG2 3.96Å; A416-C425 CarbonylContact C-O 3.57Å; A416-C425 WeakPolarHBondContact CA-O 3.25Å; A416-C425 WeakPolarHBondContact CB-O 3.24Å; A416-R426 HydrophobicContact CB-CG 4.2Å
417	L	70.4	Confident	66.2	Low	94 Å²	94	55.2 Å²	55.2	49%	0.492	30%	0.297	S	S	.	.	S	Bend	trans	-65.3	-20.4	175.9	-57.9	178	0	0	0	112	P415 C425 R427 A438 L485	P415-L417 PolarHBondContact O-N 3.03Å; L417-C425 HydrophobicContact CB-CB 4.15Å; L417-C425 PolarHBondContact N-O 2.95Å; L417-R427 HydrophobicContact CD1-CB 4.42Å; L417-A438 HydrophobicContact CD1-CB 3.89Å; L417-L485 HydrophobicContact CD1-CD1 3.83Å
418	G	60.8	Low	66.4	Low	28 Å²	28	52.1 Å²	52.1	29%	0.289	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	155.6	174.6	0	0	0	0	0	111.2	A416 C425	A416-G418 PolarHBondContact O-N 3.37Å; G418-C425 PolarHBondContact N-O 3.45Å; G418-C425 PolarHBondContact O-N 3.23Å
419	Q	50.3	Low	66.7	Low	137 Å²	137	55.8 Å²	55.8	64%	0.64	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	121.7	-179.8	-168.4	177.1	45	0	0	110.9
420	G	42.8	Very low	67.2	Low	31 Å²	31	54.4 Å²	54.4	32%	0.32	29%	0.29	S	S	.	.			trans	-108	174.5	174.1	0	0	0	0	0	112	F422 S423	G420-F422 PolarHBondContact O-N 3.32Å; G420-S423 PolarHBondContact N-O 3.46Å
421	S	39	Very low	67.7	Low	67 Å²	67	60 Å²	60	47%	0.469	31%	0.31	S	S	.	.	S	Bend	trans	-62.7	-25.6	179.2	-53.1	0	0	0	0	113.6
422	F	46.3	Very low	68.4	Low	100 Å²	100	67.7 Å²	67.7	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-131.7	6.2	-174.5	-47.4	-70.9	0	0	0	114.6	L91 G420 L446	L91-F422 HydrophobicContact CD2-CZ 4.3Å; G420-F422 PolarHBondContact O-N 3.32Å; F422-L446 HydrophobicContact CB-CD1 3.41Å; F422-L446 VanDerWaalsContact CB-CD1 3.41Å; F422-L446 HydrophobicContact CD1-CD1 4.27Å; F422-L446 HydrophobicContact CD2-CD1 3.98Å; F422-L446 HydrophobicContact CG-CD1 3.63Å
423	S	58.5	Low	69.9	Low	25 Å²	25	69 Å²	69	18%	0.175	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.7	-174.7	53.9	0	0	0	0	111.9	G420 I441	G420-S423 PolarHBondContact N-O 3.46Å; S423-I441 WeakPolarHBondContact CA-O 3.42Å
424	V	63.9	Low	71	Confident	10 Å²	10	62.5 Å²	62.5	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.5	172	61.8	0	0	0	0	110.1	F368 A416 R426 I441	F368-V424 HydrophobicContact CD2-CG1 3.96Å; F368-V424 HydrophobicContact CG-CG1 4.43Å; A416-V424 HydrophobicContact CB-CG2 3.96Å; V424-R426 HydrophobicContact CG2-CG 4.41Å; V424-I441 HydrophobicContact CG1-CB 4Å; V424-I441 HydrophobicContact CG1-CD1 4.29Å; V424-I441 HydrophobicContact CG1-CG1 4.38Å; V424-I441 PolarHBondContact N-O 3.24Å; V424-I441 PolarHBondContact O-N 3.48Å
425	C	76.9	Confident	72.4	Confident	32 Å²	32	63.4 Å²	63.4	22%	0.216	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.8	175.7	-60.1	0	0	0	0	109.2	A416 L417 G418 V439	A416-C425 CarbonylContact C-O 3.57Å; A416-C425 WeakPolarHBondContact CA-O 3.25Å; A416-C425 WeakPolarHBondContact CB-O 3.24Å; L417-C425 HydrophobicContact CB-CB 4.15Å; L417-C425 PolarHBondContact N-O 2.95Å; G418-C425 PolarHBondContact N-O 3.45Å; G418-C425 PolarHBondContact O-N 3.23Å; C425-V439 WeakPolarHBondContact CA-O 3.34Å
426	R	82.4	Confident	73.9	Confident	6 Å²	6	60.3 Å²	60.3	2%	0.023	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.7	177.7	-83.2	-173.9	165.4	-76.1	5.6	110.7	F368 L410 D411 L412 E414 A416 V424 A438 V439	F368-R426 PolarHBondContact O-NE 3.34Å; F368-R426 PolarHBondContact O-NH2 2.68Å; L410-R426 HydrophobicContact CD1-CB 3.84Å; D411-R426 PolarHBondContact O-NH1 2.84Å; L412-R426 VanDerWaalsContact CD2-CZ 3.45Å; E414-R426 PolarHBondContact O-NH1 3.37Å; A416-R426 HydrophobicContact CB-CG 4.2Å; V424-R426 HydrophobicContact CG2-CG 4.41Å; R426-A438 CarbonylContact O-C 3.53Å; R426-A438 WeakPolarHBondContact O-CA 3.4Å; R426-V439 PolarHBondContact N-O 3.33Å; R426-V439 PolarHBondContact O-N 2.72Å
427	R	84.5	Confident	75.3	Confident	31 Å²	31	58.7 Å²	58.7	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.8	167.1	-179.7	169.5	70.7	165.6	-12.2	109.8	D411 E414 L417 E436 F437 L485	D411-R427 HydrophobicContact CB-CB 4.21Å; D411-R427 HydrophobicContact CB-CG 4.33Å; D411-R427 PolarHBondContact N-O 2.87Å; D411-R427 IonicContact OD2-CZ 2.75Å; D411-R427 VanDerWaalsContact OD2-CZ 3.31Å; D411-R427 IonicContact OD2-NE 2.79Å; D411-R427 PolarHBondContact OD2-NE 2.97Å; D411-R427 IonicContact OD2-NH2 2.63Å; D411-R427 PolarHBondContact OD2-NH2 2.79Å; E414-R427 IonicContact OE1-CZ 2.83Å; E414-R427 IonicContact OE1-NH1 3.75Å; E414-R427 IonicContact OE1-NH2 2.72Å; E414-R427 PolarHBondContact OE1-NH2 2.93Å; E414-R427 IonicContact OE2-CZ 3.51Å; E414-R427 IonicContact OE2-NE 3.74Å; E414-R427 IonicContact OE2-NH2 3.96Å; E414-R427 PolarHBondContact OE2-NH2 2.98Å; E414-R427 VanDerWaalsContact OE2-NH2 3.15Å; L417-R427 HydrophobicContact CD1-CB 4.42Å; R427-E436 IonicContact CZ-OE1 2.69Å; R427-E436 IonicContact CZ-OE2 3.78Å; R427-E436 IonicContact NE-OE1 3.23Å; R427-E436 IonicContact NE-OE2 2.74Å; R427-E436 VanDerWaalsContact NH1-CD 3.31Å; R427-E436 IonicContact NH1-OE1 3.77Å; R427-E436 PolarHBondContact NH1-OE1 2.87Å; R427-E436 VanDerWaalsContact NH1-OE1 3.08Å; R427-E436 IonicContact NH1-OE2 2.68Å; R427-E436 PolarHBondContact NH1-OE2 3.16Å; R427-F437 WeakPolarHBondContact CA-O 3.49Å; R427-L485 HydrophobicContact CG-CD2 3.96Å
428	C	87.9	Confident	76.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	170.8	166	64.3	0	0	0	0	110.5	F404 E409 L410 E436 F437 V439	F404-C428 HydrophobicContact CZ-CB 3.97Å; E409-C428 CarbonylContact O-C 3.42Å; E409-C428 WeakPolarHBondContact O-CA 3.48Å; E409-C428 WeakPolarHBondContact O-CB 3.16Å; L410-C428 HydrophobicContact CD1-CB 4.26Å; C428-E436 WeakPolarHBondContact O-CA 3.26Å; C428-F437 PolarHBondContact N-O 2.85Å; C428-F437 PolarHBondContact O-N 3.4Å; C428-V439 HydrophobicContact CB-CB 4.48Å; C428-V439 HydrophobicContact CB-CG1 3.95Å
429	R	89.5	Confident	77.7	Confident	76 Å²	76	53.6 Å²	53.6	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.6	-178.4	-173.2	-179.3	-64.3	150.2	-4.9	110	Y408 E409 R431 G434 Q435 E436	Y408-R429 CarbonylContact C-O 3.51Å; Y408-R429 VanDerWaalsContact CA-O 3.28Å; Y408-R429 WeakPolarHBondContact CA-O 3.46Å; E409-R429 PolarHBondContact N-O 3.11Å; E409-R429 PolarHBondContact O-N 3.07Å; E409-R429 IonicContact OE2-NH1 3.91Å; R429-R431 PolarHBondContact O-N 2.86Å; R429-G434 VanDerWaalsContact CG-O 3.3Å; R429-G434 WeakPolarHBondContact CG-O 3.38Å; R429-Q435 CarbonylContact C-O 3.53Å; R429-Q435 WeakPolarHBondContact CA-O 3.25Å; R429-E436 HydrophobicContact CG-CG 4.31Å; R429-E436 IonicContact CZ-OE1 3.45Å; R429-E436 IonicContact NE-OE1 3.74Å; R429-E436 PolarHBondContact NE-OE1 3.18Å; R429-E436 IonicContact NH2-OE1 2.72Å; R429-E436 PolarHBondContact NH2-OE1 3.06Å
430	Q	92.7	Very high	79.3	Confident	29 Å²	29	47.3 Å²	47.3	14%	0.136	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.1	177.1	-166.9	-173.6	54.2	0	0	109.6	Q407 Y408 Q432 S433 G434 Q435 F437	Q407-Q430 CarbonylContact O-C 3.55Å; Q407-Q430 WeakPolarHBondContact O-CA 3.49Å; Y408-Q430 HydrophobicContact CD1-CB 3.84Å; Y408-Q430 HydrophobicContact CD1-CG 4.27Å; Y408-Q430 HydrophobicContact CE1-CB 3.59Å; Y408-Q430 HydrophobicContact CE1-CG 3.8Å; Y408-Q430 PolarHBondContact OH-NE2 3.36Å; Q430-Q432 VanDerWaalsContact C-N 3.31Å; Q430-Q432 PolarHBondContact O-N 3.35Å; Q430-S433 PolarHBondContact OE1-OG 2.89Å; Q430-G434 WeakPolarHBondContact O-CA 3.16Å; Q430-G434 PolarHBondContact O-N 3.18Å; Q430-Q435 PolarHBondContact N-O 2.74Å; Q430-F437 HydrophobicContact CB-CD2 4.22Å; Q430-F437 HydrophobicContact CB-CE2 3.81Å
431	R	88.2	Confident	80.8	Confident	136 Å²	136	46 Å²	46	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.5	-170.8	-67.3	-176.3	-179.3	-79.1	4.8	113.9	F405 Q406 Q407 R429	F405-R431 PolarHBondContact O-NE 2.96Å; F405-R431 PolarHBondContact O-NH2 3.25Å; Q406-R431 WeakPolarHBondContact O-CD 3.26Å; Q407-R431 PolarHBondContact O-N 3.41Å; R429-R431 PolarHBondContact O-N 2.86Å
432	Q	87.8	Confident	82	Confident	173 Å²	173	43.4 Å²	43.4	81%	0.808	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-38.9	-175	-61.7	-177.9	10.5	0	0	113.1	Q430	Q430-Q432 VanDerWaalsContact C-N 3.31Å; Q430-Q432 PolarHBondContact O-N 3.35Å
433	S	90.8	Very high	82.6	Confident	66 Å²	66	39.6 Å²	39.6	46%	0.462	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-19.4	-175.3	60.5	0	0	0	0	113.7	Q430 Q435	Q430-S433 PolarHBondContact OE1-OG 2.89Å; S433-Q435 PolarHBondContact O-N 3.04Å; S433-Q435 VanDerWaalsContact OG-CB 3.32Å; S433-Q435 WeakPolarHBondContact OG-CB 3.38Å; S433-Q435 PolarHBondContact OG-N 3.3Å; S433-Q435 VanDerWaalsContact OG-N 3.15Å
434	G	88.5	Confident	82.6	Confident	42 Å²	42	42.7 Å²	42.7	43%	0.433	21%	0.212	S	C	.	.			trans	72.2	1.9	-167.6	0	0	0	0	0	114.3	R429 Q430	R429-G434 VanDerWaalsContact CG-O 3.3Å; R429-G434 WeakPolarHBondContact CG-O 3.38Å; Q430-G434 WeakPolarHBondContact O-CA 3.16Å; Q430-G434 PolarHBondContact O-N 3.18Å
435	Q	92.4	Very high	81.6	Confident	109 Å²	109	46.2 Å²	46.2	51%	0.509	23%	0.225	S	C	.	.			trans	-68.7	138.8	-178	-176.6	174.6	-8.5	0	0	111.4	R429 Q430 S433 F437	R429-Q435 CarbonylContact C-O 3.53Å; R429-Q435 WeakPolarHBondContact CA-O 3.25Å; Q430-Q435 PolarHBondContact N-O 2.74Å; S433-Q435 PolarHBondContact O-N 3.04Å; S433-Q435 VanDerWaalsContact OG-CB 3.32Å; S433-Q435 WeakPolarHBondContact OG-CB 3.38Å; S433-Q435 PolarHBondContact OG-N 3.3Å; S433-Q435 VanDerWaalsContact OG-N 3.15Å; Q435-F437 HydrophobicContact CB-CE2 3.78Å; Q435-F437 HydrophobicContact CB-CZ 4.33Å; Q435-F437 HydrophobicContact CG-CD2 4.33Å; Q435-F437 HydrophobicContact CG-CE2 3.61Å; Q435-F437 HydrophobicContact CG-CZ 3.81Å; Q435-F437 WeakPolarHBondContact O-CD2 3.4Å
436	E	93.8	Very high	80.2	Confident	35 Å²	35	47.2 Å²	47.2	16%	0.164	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.9	-179	-56.3	-165.4	145	0	0	112.4	R427 C428 R429 L485 R487	R427-E436 IonicContact CZ-OE1 2.69Å; R427-E436 IonicContact CZ-OE2 3.78Å; R427-E436 IonicContact NE-OE1 3.23Å; R427-E436 IonicContact NE-OE2 2.74Å; R427-E436 VanDerWaalsContact NH1-CD 3.31Å; R427-E436 IonicContact NH1-OE1 3.77Å; R427-E436 PolarHBondContact NH1-OE1 2.87Å; R427-E436 VanDerWaalsContact NH1-OE1 3.08Å; R427-E436 IonicContact NH1-OE2 2.68Å; R427-E436 PolarHBondContact NH1-OE2 3.16Å; C428-E436 WeakPolarHBondContact O-CA 3.26Å; R429-E436 HydrophobicContact CG-CG 4.31Å; R429-E436 IonicContact CZ-OE1 3.45Å; R429-E436 IonicContact NE-OE1 3.74Å; R429-E436 PolarHBondContact NE-OE1 3.18Å; R429-E436 IonicContact NH2-OE1 2.72Å; R429-E436 PolarHBondContact NH2-OE1 3.06Å; E436-L485 HydrophobicContact CB-CD2 3.7Å; E436-R487 IonicContact OE2-CZ 3.18Å; E436-R487 IonicContact OE2-NH1 3.42Å; E436-R487 PolarHBondContact OE2-NH1 3.08Å; E436-R487 IonicContact OE2-NH2 2.68Å; E436-R487 PolarHBondContact OE2-NH2 2.76Å
437	F	94.4	Very high	79	Confident	5 Å²	5	50 Å²	50	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.7	-175.1	-67.5	-89.7	0	0	0	109.9	Y408 R427 C428 Q430 Q435 H470 V482 L483	Y408-F437 HydrophobicContact CD1-CD2 4.36Å; Y408-F437 AromaticContact CE1-CD2 3.78Å; Y408-F437 HydrophobicContact CE1-CD2 3.78Å; Y408-F437 HydrophobicContact CE1-CE2 4.07Å; Y408-F437 HydrophobicContact CE1-CG 4.32Å; R427-F437 WeakPolarHBondContact CA-O 3.49Å; C428-F437 PolarHBondContact N-O 2.85Å; C428-F437 PolarHBondContact O-N 3.4Å; Q430-F437 HydrophobicContact CB-CD2 4.22Å; Q430-F437 HydrophobicContact CB-CE2 3.81Å; Q435-F437 HydrophobicContact CB-CE2 3.78Å; Q435-F437 HydrophobicContact CB-CZ 4.33Å; Q435-F437 HydrophobicContact CG-CD2 4.33Å; Q435-F437 HydrophobicContact CG-CE2 3.61Å; Q435-F437 HydrophobicContact CG-CZ 3.81Å; Q435-F437 WeakPolarHBondContact O-CD2 3.4Å; F437-H470 HydrophobicContact CD1-CB 4.26Å; F437-H470 HydrophobicContact CE1-CB 3.96Å; F437-H470 AromaticContact CE1-CD2 3.66Å; F437-H470 AromaticContact CE1-CG 3.61Å; F437-H470 AromaticContact CZ-NE2 3.96Å; F437-V482 HydrophobicContact CB-CG1 3.79Å; F437-V482 HydrophobicContact CD1-CG1 3.96Å; F437-V482 HydrophobicContact CG-CG1 3.9Å; F437-L483 WeakPolarHBondContact CB-O 3.39Å
438	A	91.5	Very high	77.3	Confident	14 Å²	14	52.1 Å²	52.1	12%	0.116	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.6	163.1	0	0	0	0	0	108.7	L417 R426 L483 L485	L417-A438 HydrophobicContact CD1-CB 3.89Å; R426-A438 CarbonylContact O-C 3.53Å; R426-A438 WeakPolarHBondContact O-CA 3.4Å; A438-L483 HydrophobicContact CB-CB 4.32Å; A438-L483 PolarHBondContact N-O 2.9Å; A438-L483 PolarHBondContact O-N 2.77Å; A438-L483 VanDerWaalsContact O-O 3.06Å; A438-L485 HydrophobicContact CB-CD1 4.13Å
439	V	88.6	Confident	75.7	Confident	1 Å²	1	55 Å²	55	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.9	172.1	63	0	0	0	0	110.7	F404 L410 C425 R426 C428 I441 Y480 L481 V482	F404-V439 HydrophobicContact CE2-CB 4.28Å; F404-V439 HydrophobicContact CE2-CG2 3.86Å; F404-V439 HydrophobicContact CZ-CB 4.11Å; F404-V439 HydrophobicContact CZ-CG1 3.94Å; F404-V439 HydrophobicContact CZ-CG2 3.89Å; L410-V439 HydrophobicContact CD1-CG1 3.46Å; L410-V439 VanDerWaalsContact CD1-CG1 3.46Å; C425-V439 WeakPolarHBondContact CA-O 3.34Å; R426-V439 PolarHBondContact N-O 3.33Å; R426-V439 PolarHBondContact O-N 2.72Å; C428-V439 HydrophobicContact CB-CB 4.48Å; C428-V439 HydrophobicContact CB-CG1 3.95Å; V439-I441 HydrophobicContact CG1-CG1 4.33Å; V439-I441 HydrophobicContact CG2-CG1 4.14Å; V439-Y480 HydrophobicContact CG2-CD1 4.02Å; V439-Y480 HydrophobicContact CG2-CG 4.43Å; V439-L481 WeakPolarHBondContact CA-O 2.92Å; V439-V482 HydrophobicContact CG2-CG2 4.48Å
440	K	84.1	Confident	74.5	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.8	171.2	-170.8	175.1	-169.3	178.2	0	107.8	L442 E453 L481 L483 D551	K440-L442 HydrophobicContact CB-CD1 4.46Å; K440-L442 HydrophobicContact CG-CD1 4.01Å; K440-L442 HydrophobicContact CG-CG 4.35Å; K440-L442 WeakPolarHBondContact O-CD1 3.43Å; K440-E453 WeakPolarHBondContact CE-OE1 3.34Å; K440-E453 IonicContact NZ-OE1 2.64Å; K440-E453 PolarHBondContact NZ-OE1 2.94Å; K440-L481 HydrophobicContact CB-CB 4.23Å; K440-L481 HydrophobicContact CD-CD1 4.5Å; K440-L481 PolarHBondContact N-O 2.63Å; K440-L481 PolarHBondContact O-N 2.75Å; K440-L483 HydrophobicContact CB-CD1 4.45Å; K440-D551 IonicContact NZ-OD1 3.43Å; K440-D551 PolarHBondContact NZ-OD1 3.13Å; K440-D551 IonicContact NZ-OD2 2.76Å; K440-D551 PolarHBondContact NZ-OD2 3Å
441	I	75.4	Confident	73.5	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.7	-178.4	-45.4	179.6	0	0	0	108.1	F368 L410 S423 V424 V439 H478 Y480	F368-I441 HydrophobicContact CD1-CD1 4.25Å; F368-I441 HydrophobicContact CD2-CD1 4.42Å; F368-I441 HydrophobicContact CE1-CD1 3.91Å; F368-I441 HydrophobicContact CE2-CD1 4.1Å; F368-I441 HydrophobicContact CE2-CG2 3.91Å; F368-I441 HydrophobicContact CZ-CD1 3.83Å; F368-I441 HydrophobicContact CZ-CG2 4.06Å; L410-I441 HydrophobicContact CD1-CD1 4.42Å; L410-I441 HydrophobicContact CD2-CD1 4.19Å; S423-I441 WeakPolarHBondContact CA-O 3.42Å; V424-I441 HydrophobicContact CG1-CB 4Å; V424-I441 HydrophobicContact CG1-CD1 4.29Å; V424-I441 HydrophobicContact CG1-CG1 4.38Å; V424-I441 PolarHBondContact N-O 3.24Å; V424-I441 PolarHBondContact O-N 3.48Å; V439-I441 HydrophobicContact CG1-CG1 4.33Å; V439-I441 HydrophobicContact CG2-CG1 4.14Å; I441-H478 HydrophobicContact CG2-CB 3.97Å; I441-Y480 HydrophobicContact CB-CD1 4.39Å; I441-Y480 HydrophobicContact CD1-CD1 4.23Å; I441-Y480 HydrophobicContact CD1-CE1 4.05Å; I441-Y480 HydrophobicContact CG1-CD1 3.85Å; I441-Y480 HydrophobicContact CG1-CE1 4.09Å; I441-Y480 HydrophobicContact CG2-CD1 3.99Å; I441-Y480 HydrophobicContact CG2-CE1 3.75Å
442	L	64.3	Low	72.6	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.7	-179	-51.6	98.3	0	0	0	110.6	K440 T450 H478 T479 L481	K440-L442 HydrophobicContact CB-CD1 4.46Å; K440-L442 HydrophobicContact CG-CD1 4.01Å; K440-L442 HydrophobicContact CG-CG 4.35Å; K440-L442 WeakPolarHBondContact O-CD1 3.43Å; L442-T450 HydrophobicContact CD1-CG2 4.02Å; L442-T450 HydrophobicContact CD2-CG2 4.33Å; L442-H478 CarbonylContact O-C 3.59Å; L442-H478 VanDerWaalsContact O-CA 3.22Å; L442-H478 WeakPolarHBondContact O-CA 3.47Å; L442-T479 PolarHBondContact N-O 2.81Å; L442-T479 PolarHBondContact O-N 3.12Å; L442-L481 HydrophobicContact CD1-CD1 3.9Å; L442-L481 HydrophobicContact CD1-CG 3.71Å
443	S	58.5	Low	72.4	Confident	20 Å²	20	44.7 Å²	44.7	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.2	173.9	-177.8	0	0	0	0	111.6	R445 L446	S443-R445 PolarHBondContact O-N 2.84Å; S443-L446 PolarHBondContact O-N 3.17Å
444	R	57.6	Low	72.1	Confident	90 Å²	90	41.8 Å²	41.8	34%	0.34	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.8	-9.5	177.6	-69.5	-173.5	66.4	-170.4	-5	114.6	L446 E447 D475 L477	R444-L446 PolarHBondContact O-N 3.15Å; R444-L446 VanDerWaalsContact O-N 3.16Å; R444-E447 IonicContact CZ-OE1 3.74Å; R444-E447 IonicContact NE-OE1 3.77Å; R444-E447 PolarHBondContact NE-OE1 2.96Å; R444-E447 IonicContact NH2-OE1 2.92Å; R444-E447 PolarHBondContact NH2-OE1 3.35Å; R444-E447 IonicContact NH2-OE2 2.77Å; R444-E447 WeakPolarHBondContact O-CB 3.11Å; R444-E447 PolarHBondContact O-N 3.01Å; R444-E447 VanDerWaalsContact O-N 3.08Å; R444-D475 WeakPolarHBondContact CD-O 3.24Å; R444-D475 PolarHBondContact NH1-O 3.45Å; R444-L477 PolarHBondContact N-O 3.37Å
445	R	44.6	Very low	71.8	Confident	85 Å²	85	41.4 Å²	41.4	32%	0.321	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.9	-12.9	167.2	-71.9	171.5	160.2	-163.7	-6.6	114.1	R86 E90 G358 Y359 S360 S443	R86-R445 VanDerWaalsContact NH1-NH1 3.18Å; E90-R445 IonicContact OE1-CZ 3.86Å; E90-R445 IonicContact OE1-NH1 2.77Å; E90-R445 PolarHBondContact OE1-NH1 2.89Å; E90-R445 IonicContact OE2-NH1 2.69Å; E90-R445 PolarHBondContact OE2-NH1 3.02Å; G358-R445 PolarHBondContact O-NH2 3.37Å; Y359-R445 PolarHBondContact O-NH2 3.27Å; S360-R445 PolarHBondContact O-NH2 3.46Å; S443-R445 PolarHBondContact O-N 2.84Å
446	L	47.2	Very low	71.3	Confident	53 Å²	53	36.3 Å²	36.3	28%	0.277	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-111.6	19.9	172.3	-65.6	-178.6	0	0	0	113.1	F422 S443 R444 A448 N449 T450	F422-L446 HydrophobicContact CB-CD1 3.41Å; F422-L446 VanDerWaalsContact CB-CD1 3.41Å; F422-L446 HydrophobicContact CD1-CD1 4.27Å; F422-L446 HydrophobicContact CD2-CD1 3.98Å; F422-L446 HydrophobicContact CG-CD1 3.63Å; S443-L446 PolarHBondContact O-N 3.17Å; R444-L446 PolarHBondContact O-N 3.15Å; R444-L446 VanDerWaalsContact O-N 3.16Å; L446-A448 VanDerWaalsContact C-N 3.25Å; L446-A448 PolarHBondContact O-N 3.23Å; L446-A448 VanDerWaalsContact O-N 3.12Å; L446-N449 WeakPolarHBondContact O-CA 3.39Å; L446-N449 WeakPolarHBondContact O-CB 3.48Å; L446-N449 PolarHBondContact O-N 3.34Å; L446-T450 PolarHBondContact O-N 3.06Å; L446-T450 PolarHBondContact O-OG1 3.27Å
447	E	56.2	Low	71.1	Confident	64 Å²	64	34.8 Å²	34.8	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-51.7	-38.5	-175.7	-175.4	165.8	-103.4	0	0	113.5	R444 N449 T450 Q451	R444-E447 IonicContact CZ-OE1 3.74Å; R444-E447 IonicContact NE-OE1 3.77Å; R444-E447 PolarHBondContact NE-OE1 2.96Å; R444-E447 IonicContact NH2-OE1 2.92Å; R444-E447 PolarHBondContact NH2-OE1 3.35Å; R444-E447 IonicContact NH2-OE2 2.77Å; R444-E447 WeakPolarHBondContact O-CB 3.11Å; R444-E447 PolarHBondContact O-N 3.01Å; R444-E447 VanDerWaalsContact O-N 3.08Å; E447-N449 PolarHBondContact O-N 2.8Å; E447-T450 PolarHBondContact O-N 2.68Å; E447-Q451 HydrophobicContact CG-CG 4.2Å; E447-Q451 WeakPolarHBondContact O-CB 3.35Å; E447-Q451 VanDerWaalsContact O-CG 3.25Å; E447-Q451 WeakPolarHBondContact O-CG 3.23Å; E447-Q451 PolarHBondContact O-N 2.8Å
448	A	49.8	Very low	70.9	Confident	76 Å²	76	41.8 Å²	41.8	63%	0.628	21%	0.205	S	C	*	.	H	α-helix	trans	-67.6	-15.6	174.5	0	0	0	0	0	115	L446 R452	L446-A448 VanDerWaalsContact C-N 3.25Å; L446-A448 PolarHBondContact O-N 3.23Å; L446-A448 VanDerWaalsContact O-N 3.12Å; A448-R452 PolarHBondContact O-NE 2.78Å; A448-R452 PolarHBondContact O-NH2 2.94Å
449	N	53.7	Low	70.8	Confident	61 Å²	61	44.9 Å²	44.9	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-90.8	-47.8	167.4	-67.3	-0.2	0	0	0	110.1	L446 E447 Q451 R452 E453	L446-N449 WeakPolarHBondContact O-CA 3.39Å; L446-N449 WeakPolarHBondContact O-CB 3.48Å; L446-N449 PolarHBondContact O-N 3.34Å; E447-N449 PolarHBondContact O-N 2.8Å; N449-Q451 VanDerWaalsContact C-N 3.32Å; N449-Q451 PolarHBondContact O-N 3.41Å; N449-R452 WeakPolarHBondContact O-CA 3.44Å; N449-R452 WeakPolarHBondContact O-CB 3.41Å; N449-R452 PolarHBondContact O-N 3.35Å; N449-R452 PolarHBondContact OD1-NH2 2.97Å; N449-E453 PolarHBondContact O-N 3.11Å
450	T	65.7	Low	70.9	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-37.5	-178.2	-50.1	0	0	0	0	112.7	L442 L446 E447 R452 E453 V454 T479 L481	L442-T450 HydrophobicContact CD1-CG2 4.02Å; L442-T450 HydrophobicContact CD2-CG2 4.33Å; L446-T450 PolarHBondContact O-N 3.06Å; L446-T450 PolarHBondContact O-OG1 3.27Å; E447-T450 PolarHBondContact O-N 2.68Å; T450-R452 VanDerWaalsContact C-N 3.26Å; T450-R452 PolarHBondContact O-N 2.87Å; T450-E453 PolarHBondContact O-N 3.3Å; T450-V454 WeakPolarHBondContact O-CB 3.47Å; T450-V454 VanDerWaalsContact O-CG2 3.32Å; T450-V454 WeakPolarHBondContact O-CG2 3.47Å; T450-V454 PolarHBondContact O-N 3.44Å; T450-T479 HydrophobicContact CG2-CG2 3.75Å; T450-L481 HydrophobicContact CG2-CD2 4.25Å
451	Q	71.2	Confident	71	Confident	85 Å²	85	47.4 Å²	47.4	40%	0.397	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-28.3	174.5	-68	-66.4	-9.1	0	0	112.7	E447 N449 A455 H474	E447-Q451 HydrophobicContact CG-CG 4.2Å; E447-Q451 WeakPolarHBondContact O-CB 3.35Å; E447-Q451 VanDerWaalsContact O-CG 3.25Å; E447-Q451 WeakPolarHBondContact O-CG 3.23Å; E447-Q451 PolarHBondContact O-N 2.8Å; N449-Q451 VanDerWaalsContact C-N 3.32Å; N449-Q451 PolarHBondContact O-N 3.41Å; Q451-A455 VanDerWaalsContact O-CB 3.31Å; Q451-A455 WeakPolarHBondContact O-CB 3.46Å; Q451-A455 PolarHBondContact O-N 3.46Å; Q451-H474 PolarHBondContact NE2-NE2 2.85Å
452	R	69.5	Low	71.6	Confident	99 Å²	99	51.6 Å²	51.6	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-77.9	-37.1	174.4	-70.1	-177.4	-75.8	178.7	-2.3	112.2	A448 N449 T450 A455 A456	A448-R452 PolarHBondContact O-NE 2.78Å; A448-R452 PolarHBondContact O-NH2 2.94Å; N449-R452 WeakPolarHBondContact O-CA 3.44Å; N449-R452 WeakPolarHBondContact O-CB 3.41Å; N449-R452 PolarHBondContact O-N 3.35Å; N449-R452 PolarHBondContact OD1-NH2 2.97Å; T450-R452 VanDerWaalsContact C-N 3.26Å; T450-R452 PolarHBondContact O-N 2.87Å; R452-A455 PolarHBondContact O-N 3.25Å; R452-A456 WeakPolarHBondContact O-CB 3.32Å; R452-A456 PolarHBondContact O-N 2.9Å
453	E	83.1	Confident	73	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-46.7	170.9	-179.9	176.1	-176.4	0	0	111.2	K440 N449 T450 A456 L457 L481 F552	K440-E453 WeakPolarHBondContact CE-OE1 3.34Å; K440-E453 IonicContact NZ-OE1 2.64Å; K440-E453 PolarHBondContact NZ-OE1 2.94Å; N449-E453 PolarHBondContact O-N 3.11Å; T450-E453 PolarHBondContact O-N 3.3Å; E453-A456 PolarHBondContact O-N 2.84Å; E453-L457 HydrophobicContact CG-CD1 4.16Å; E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 WeakPolarHBondContact O-CG 3.48Å; E453-L457 PolarHBondContact O-N 3.23Å; E453-L481 HydrophobicContact CG-CD1 4.2Å; E453-F552 HydrophobicContact CG-CB 4.21Å
454	V	83.4	Confident	74.6	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-43.7	173.7	167.1	0	0	0	0	112	T450 L457 R458 L469 V472 L481	T450-V454 WeakPolarHBondContact O-CB 3.47Å; T450-V454 VanDerWaalsContact O-CG2 3.32Å; T450-V454 WeakPolarHBondContact O-CG2 3.47Å; T450-V454 PolarHBondContact O-N 3.44Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-R458 HydrophobicContact CG1-CG 4.44Å; V454-R458 WeakPolarHBondContact O-CB 3.35Å; V454-R458 WeakPolarHBondContact O-CG 3.26Å; V454-R458 PolarHBondContact O-N 2.97Å; V454-L469 HydrophobicContact CG1-CD2 4.29Å; V454-V472 HydrophobicContact CG1-CG2 3.97Å; V454-V472 HydrophobicContact CG2-CG1 4.23Å; V454-V472 HydrophobicContact CG2-CG2 3.95Å; V454-L481 HydrophobicContact CG2-CD1 4.35Å; V454-L481 HydrophobicContact CG2-CD2 3.39Å
455	A	82.6	Confident	76.4	Confident	34 Å²	34	51.1 Å²	51.1	28%	0.281	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-43.9	177.7	0	0	0	0	0	111.9	Q451 R452 R458 L459	Q451-A455 VanDerWaalsContact O-CB 3.31Å; Q451-A455 WeakPolarHBondContact O-CB 3.46Å; Q451-A455 PolarHBondContact O-N 3.46Å; R452-A455 PolarHBondContact O-N 3.25Å; A455-R458 PolarHBondContact O-N 3.19Å; A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.93Å
456	A	83.3	Confident	78.8	Confident	2 Å²	2	47 Å²	47	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-48.4	176.1	0	0	0	0	0	111.6	R452 E453 R458 L459 C460 V526 F552 A555	R452-A456 WeakPolarHBondContact O-CB 3.32Å; R452-A456 PolarHBondContact O-N 2.9Å; E453-A456 PolarHBondContact O-N 2.84Å; A456-R458 PolarHBondContact O-N 3.19Å; A456-L459 PolarHBondContact O-N 3.11Å; A456-C460 WeakPolarHBondContact O-CB 3.15Å; A456-C460 PolarHBondContact O-N 3.2Å; A456-C460 PolarHBondContact O-SG 3.45Å; A456-V526 HydrophobicContact CB-CG1 4.09Å; A456-V526 HydrophobicContact CB-CG2 4.23Å; A456-F552 HydrophobicContact CB-CB 4.34Å; A456-F552 HydrophobicContact CB-CD1 3.95Å; A456-A555 HydrophobicContact CB-CB 3.95Å
457	L	88.9	Confident	81	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-48.5	175.3	-78.5	166.7	0	0	0	112	E453 V454 L459 C460 Q461 V467 L469 L481 L483 F552	E453-L457 HydrophobicContact CG-CD1 4.16Å; E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 WeakPolarHBondContact O-CG 3.48Å; E453-L457 PolarHBondContact O-N 3.23Å; V454-L457 PolarHBondContact O-N 2.79Å; L457-L459 VanDerWaalsContact C-N 3.26Å; L457-L459 PolarHBondContact O-N 2.95Å; L457-C460 PolarHBondContact O-N 3.46Å; L457-C460 VanDerWaalsContact O-N 3.08Å; L457-Q461 VanDerWaalsContact O-CB 3.26Å; L457-Q461 WeakPolarHBondContact O-CB 3.03Å; L457-Q461 WeakPolarHBondContact O-CG 3.46Å; L457-Q461 PolarHBondContact O-N 2.89Å; L457-V467 HydrophobicContact CD2-CG1 3.65Å; L457-L469 HydrophobicContact CB-CB 4.16Å; L457-L469 HydrophobicContact CB-CD2 3.82Å; L457-L469 HydrophobicContact CD1-CB 4.49Å; L457-L469 HydrophobicContact CD1-CD2 4.13Å; L457-L481 HydrophobicContact CD1-CD1 4.24Å; L457-L483 HydrophobicContact CD1-CD2 4.31Å; L457-F552 HydrophobicContact CD2-CB 4.43Å; L457-F552 HydrophobicContact CD2-CD2 3.4Å; L457-F552 VanDerWaalsContact CD2-CD2 3.4Å; L457-F552 HydrophobicContact CD2-CE2 3.77Å; L457-F552 HydrophobicContact CD2-CG 3.97Å; L457-F552 HydrophobicContact CG-CB 4.14Å; L457-F552 HydrophobicContact CG-CD2 4.05Å; L457-F552 HydrophobicContact CG-CG 4.12Å
458	R	90.4	Very high	82.7	Confident	152 Å²	152	44.6 Å²	44.6	57%	0.574	24%	0.241	S	C	*	.	H	α-helix	trans	-62.2	-30.1	-179.9	-76.8	-179	174.3	-166.5	-2.1	114	V454 A455 A456 L469	V454-R458 HydrophobicContact CG1-CG 4.44Å; V454-R458 WeakPolarHBondContact O-CB 3.35Å; V454-R458 WeakPolarHBondContact O-CG 3.26Å; V454-R458 PolarHBondContact O-N 2.97Å; A455-R458 PolarHBondContact O-N 3.19Å; A456-R458 PolarHBondContact O-N 3.19Å; R458-L469 HydrophobicContact CG-CD2 4.14Å
459	L	88.8	Confident	84.8	Confident	79 Å²	79	41.4 Å²	41.4	41%	0.414	21%	0.214	S	C	.	.	H	α-helix	trans	-80.9	-28.8	174.8	-67.1	166.8	0	0	0	112.4	A455 A456 L457 F519 A524 V526 L557	A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.93Å; A456-L459 PolarHBondContact O-N 3.11Å; L457-L459 VanDerWaalsContact C-N 3.26Å; L457-L459 PolarHBondContact O-N 2.95Å; L459-F519 WeakPolarHBondContact O-CE1 3.49Å; L459-A524 HydrophobicContact CB-CB 4Å; L459-V526 HydrophobicContact CB-CG2 4.4Å; L459-V526 HydrophobicContact CD1-CG2 4.25Å; L459-L557 HydrophobicContact CD1-CD2 3.52Å
460	C	90.1	Very high	86.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-97.2	-20.8	-174	-60.8	0	0	0	0	114.9	A456 L457 S462 H463 V466 M520 F552	A456-C460 WeakPolarHBondContact O-CB 3.15Å; A456-C460 PolarHBondContact O-N 3.2Å; A456-C460 PolarHBondContact O-SG 3.45Å; L457-C460 PolarHBondContact O-N 3.46Å; L457-C460 VanDerWaalsContact O-N 3.08Å; C460-S462 PolarHBondContact O-N 3.26Å; C460-S462 VanDerWaalsContact O-N 3.14Å; C460-H463 WeakPolarHBondContact O-CB 3.44Å; C460-H463 PolarHBondContact O-N 2.83Å; C460-H463 VanDerWaalsContact O-N 3.08Å; C460-V466 HydrophobicContact CB-CG1 3.92Å; C460-V466 HydrophobicContact CB-CG2 4.32Å; C460-V466 WeakPolarHBondContact O-CB 3.41Å; C460-M520 HydrophobicContact CB-CG 4.47Å; C460-F552 HydrophobicContact CB-CE1 3.81Å; C460-F552 HydrophobicContact CB-CZ 4.02Å
461	Q	86.6	Confident	87.9	Confident	60 Å²	60	45.1 Å²	45.1	28%	0.28	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	-171.9	65.7	-175.7	34.2	0	0	115.6	L457 H463 N468 L469	L457-Q461 VanDerWaalsContact O-CB 3.26Å; L457-Q461 WeakPolarHBondContact O-CB 3.03Å; L457-Q461 WeakPolarHBondContact O-CG 3.46Å; L457-Q461 PolarHBondContact O-N 2.89Å; Q461-H463 PolarHBondContact O-N 3.33Å; Q461-N468 PolarHBondContact O-OD1 3.37Å; Q461-N468 VanDerWaalsContact O-OD1 3.08Å; Q461-L469 PolarHBondContact OE1-O 3.27Å
462	S	88.2	Confident	88.8	Confident	92 Å²	92	42.1 Å²	42.1	64%	0.643	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.1	173.3	48.7	0	0	0	0	113	C460 F519	C460-S462 PolarHBondContact O-N 3.26Å; C460-S462 VanDerWaalsContact O-N 3.14Å; S462-F519 VanDerWaalsContact OG-CZ 3.28Å; S462-F519 WeakPolarHBondContact OG-CZ 3.24Å
463	H	94.2	Very high	89.5	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.065	20%	0.203	C	C	.	.	S	Bend	trans	-84.3	130.1	178.7	-168.9	-85	0	0	0	111.7	C460 Q461 N465 V466 S515 A516 F519	C460-H463 WeakPolarHBondContact O-CB 3.44Å; C460-H463 PolarHBondContact O-N 2.83Å; C460-H463 VanDerWaalsContact O-N 3.08Å; Q461-H463 PolarHBondContact O-N 3.33Å; H463-N465 PolarHBondContact CE1-OD1 2.84Å; H463-N465 PolarHBondContact ND1-N 2.94Å; H463-N465 VanDerWaalsContact ND1-N 3.17Å; H463-N465 PolarHBondContact O-N 3.21Å; H463-V466 HydrophobicContact CB-CB 4.42Å; H463-V466 HydrophobicContact CB-CG2 4.01Å; H463-V466 PolarHBondContact O-N 3.49Å; H463-S515 VanDerWaalsContact NE2-C 3.32Å; H463-S515 PolarHBondContact NE2-O 3.11Å; H463-S515 PolarHBondContact NE2-OG 3.12Å; H463-A516 VanDerWaalsContact CE1-CA 3.41Å; H463-A516 WeakPolarHBondContact CE1-CA 3.3Å; H463-A516 PolarHBondContact CE1-N 3.02Å; H463-A516 VanDerWaalsContact CE1-N 3.27Å; H463-F519 HydrophobicContact CB-CB 4.49Å; H463-F519 HydrophobicContact CB-CD1 3.72Å; H463-F519 HydrophobicContact CB-CE1 4.2Å; H463-F519 HydrophobicContact CB-CG 4.11Å; H463-F519 AromaticContact CD2-CG 3.84Å
464	P	92.6	Very high	89.3	Confident	85 Å²	85	41.2 Å²	41.2	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	-173.6	24.4	-35.6	0	0	0	114.7	K548	P464-K548 WeakPolarHBondContact O-CE 3.46Å; P464-K548 PolarHBondContact O-NZ 3.27Å
465	N	95.1	Very high	88.5	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.064	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	20.8	177.2	-55.7	109.1	0	0	0	114.2	H463 S512 A516 V547 K548 I549	H463-N465 PolarHBondContact CE1-OD1 2.84Å; H463-N465 PolarHBondContact ND1-N 2.94Å; H463-N465 VanDerWaalsContact ND1-N 3.17Å; H463-N465 PolarHBondContact O-N 3.21Å; N465-S512 WeakPolarHBondContact ND2-CB 3.49Å; N465-S512 PolarHBondContact ND2-OG 3.28Å; N465-S512 PolarHBondContact OD1-O 3.01Å; N465-A516 HydrophobicContact CB-CB 4.06Å; N465-V547 WeakPolarHBondContact CA-O 3.44Å; N465-V547 WeakPolarHBondContact CB-O 3.39Å; N465-V547 PolarHBondContact ND2-O 2.97Å; N465-K548 WeakPolarHBondContact O-CA 3.47Å; N465-I549 PolarHBondContact O-N 2.87Å
466	V	93.3	Very high	87.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-116	149.9	170.8	174.5	0	0	0	0	109.3	C460 H463 N468 A516 M520 K548 F552	C460-V466 HydrophobicContact CB-CG1 3.92Å; C460-V466 HydrophobicContact CB-CG2 4.32Å; C460-V466 WeakPolarHBondContact O-CB 3.41Å; H463-V466 HydrophobicContact CB-CB 4.42Å; H463-V466 HydrophobicContact CB-CG2 4.01Å; H463-V466 PolarHBondContact O-N 3.49Å; V466-N468 PolarHBondContact O-N 2.96Å; V466-A516 HydrophobicContact CG2-CB 4.31Å; V466-M520 HydrophobicContact CG2-CE 3.65Å; V466-K548 WeakPolarHBondContact O-CD 3.4Å; V466-K548 PolarHBondContact O-NZ 3.32Å; V466-F552 HydrophobicContact CG1-CE2 3.83Å; V466-F552 HydrophobicContact CG1-CZ 3.57Å; V466-F552 HydrophobicContact CG2-CZ 4.31Å
467	V	93.5	Very high	85.6	Confident	3 Å²	3	46 Å²	46	2%	0.018	23%	0.234	C	C	.	.			trans	-67.8	128	173.9	73.6	0	0	0	0	111.2	L457 L469 L483 E484 I549 I550	L457-V467 HydrophobicContact CD2-CG1 3.65Å; V467-L469 PolarHBondContact O-N 2.89Å; V467-L483 HydrophobicContact CG1-CD2 4.26Å; V467-L483 HydrophobicContact CG2-CB 4.06Å; V467-L483 HydrophobicContact CG2-CD2 4.46Å; V467-E484 WeakPolarHBondContact CA-OE1 3.18Å; V467-E484 HydrophobicContact CG2-CG 3.91Å; V467-I549 WeakPolarHBondContact CB-O 3.5Å; V467-I549 WeakPolarHBondContact CG1-O 3.46Å; V467-I549 PolarHBondContact N-O 2.94Å; V467-I550 HydrophobicContact CB-CG2 4.27Å; V467-I550 HydrophobicContact CG2-CG2 4.49Å
468	N	92.4	Very high	84.7	Confident	62 Å²	62	46.4 Å²	46.4	33%	0.332	24%	0.236	S	C	.	.			trans	-71.8	123.3	174.7	-74.2	-55.3	0	0	0	110.5	Q461 V466 H470 L483 E484 K548	Q461-N468 PolarHBondContact O-OD1 3.37Å; Q461-N468 VanDerWaalsContact O-OD1 3.08Å; V466-N468 PolarHBondContact O-N 2.96Å; N468-H470 PolarHBondContact O-N 3.01Å; N468-L483 VanDerWaalsContact O-CA 3.31Å; N468-L483 WeakPolarHBondContact O-CA 3.44Å; N468-E484 HydrophobicContact CB-CB 4.21Å; N468-E484 HydrophobicContact CB-CG 4.11Å; N468-E484 PolarHBondContact N-OE1 2.79Å; N468-E484 VanDerWaalsContact ND2-CD 3.34Å; N468-E484 PolarHBondContact ND2-OE1 2.83Å; N468-E484 PolarHBondContact ND2-OE2 3.01Å; N468-E484 PolarHBondContact O-N 3.27Å; N468-K548 PolarHBondContact ND2-NZ 3.06Å
469	L	93.7	Very high	83.9	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	99.3	167.3	174.8	67.7	0	0	0	108.6	V454 L457 R458 Q461 V467 E471 V472 L481 L483	V454-L469 HydrophobicContact CG1-CD2 4.29Å; L457-L469 HydrophobicContact CB-CB 4.16Å; L457-L469 HydrophobicContact CB-CD2 3.82Å; L457-L469 HydrophobicContact CD1-CB 4.49Å; L457-L469 HydrophobicContact CD1-CD2 4.13Å; R458-L469 HydrophobicContact CG-CD2 4.14Å; Q461-L469 PolarHBondContact OE1-O 3.27Å; V467-L469 PolarHBondContact O-N 2.89Å; L469-E471 WeakPolarHBondContact CD1-O 3.44Å; L469-V472 HydrophobicContact CD1-CG2 3.98Å; L469-V472 HydrophobicContact CD2-CG2 3.73Å; L469-V472 HydrophobicContact CG-CG2 4.1Å; L469-L481 HydrophobicContact CD1-CB 3.85Å; L469-L483 HydrophobicContact CB-CD2 4.07Å; L469-L483 HydrophobicContact CD1-CD2 3.7Å
470	H	92.3	Very high	83.7	Confident	87 Å²	87	35.5 Å²	35.5	40%	0.403	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-56.8	179.9	-175.2	-97.8	0	0	0	110.7	Y408 F437 N468 V482	Y408-H470 PolarHBondContact OH-CE1 2.84Å; Y408-H470 PolarHBondContact OH-ND1 3.17Å; Y408-H470 VanDerWaalsContact OH-ND1 3.14Å; F437-H470 HydrophobicContact CD1-CB 4.26Å; F437-H470 HydrophobicContact CE1-CB 3.96Å; F437-H470 AromaticContact CE1-CD2 3.66Å; F437-H470 AromaticContact CE1-CG 3.61Å; F437-H470 AromaticContact CZ-NE2 3.96Å; N468-H470 PolarHBondContact O-N 3.01Å; H470-V482 HydrophobicContact CB-CG1 4.29Å; H470-V482 WeakPolarHBondContact CB-O 3.4Å; H470-V482 PolarHBondContact N-O 2.8Å
471	E	91.6	Very high	83.8	Confident	54 Å²	54	35.5 Å²	35.5	25%	0.252	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.2	-175.3	-82.1	169.1	-168.1	0	0	112	Q407 Y408 L469 H473 V482	Q407-E471 PolarHBondContact OE1-OE2 3.2Å; Y408-E471 WeakPolarHBondContact CE2-OE2 3.44Å; Y408-E471 VanDerWaalsContact CZ-OE2 3.27Å; Y408-E471 PolarHBondContact OH-OE2 3.42Å; L469-E471 WeakPolarHBondContact CD1-O 3.44Å; E471-H473 IonicContact OE2-CD2 2.84Å; E471-H473 IonicContact OE2-CE1 2.74Å; E471-H473 IonicContact OE2-NE2 3.25Å; E471-H473 PolarHBondContact OE2-NE2 2.84Å; E471-V482 HydrophobicContact CB-CB 4.18Å; E471-V482 HydrophobicContact CB-CG2 4.38Å; E471-V482 PolarHBondContact N-O 2.85Å; E471-V482 PolarHBondContact O-N 2.82Å
472	V	90.4	Very high	84.1	Confident	22 Å²	22	32.7 Å²	32.7	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.2	171.5	-176.7	0	0	0	0	107.9	V454 L469 H474 T479 Y480 L481	V454-V472 HydrophobicContact CG1-CG2 3.97Å; V454-V472 HydrophobicContact CG2-CG1 4.23Å; V454-V472 HydrophobicContact CG2-CG2 3.95Å; L469-V472 HydrophobicContact CD1-CG2 3.98Å; L469-V472 HydrophobicContact CD2-CG2 3.73Å; L469-V472 HydrophobicContact CG-CG2 4.1Å; V472-H474 WeakPolarHBondContact CG1-CE1 3.26Å; V472-T479 HydrophobicContact CG1-CG2 3.87Å; V472-Y480 WeakPolarHBondContact CA-O 3.49Å; V472-L481 HydrophobicContact CG1-CD2 3.89Å; V472-L481 HydrophobicContact CG2-CD2 4.11Å
473	H	85.8	Confident	84.3	Confident	19 Å²	19	29 Å²	29	9%	0.088	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	148.4	174.6	-69.4	-86	0	0	0	110.4	F404 Q407 Y408 E471 Y480	F404-H473 HydrophobicContact CB-CB 3.74Å; F404-H473 HydrophobicContact CD2-CB 4.46Å; Q407-H473 PolarHBondContact OE1-CE1 2.9Å; Q407-H473 PolarHBondContact OE1-NE2 3.16Å; Y408-H473 AromaticContact CE2-NE2 3.63Å; E471-H473 IonicContact OE2-CD2 2.84Å; E471-H473 IonicContact OE2-CE1 2.74Å; E471-H473 IonicContact OE2-NE2 3.25Å; E471-H473 PolarHBondContact OE2-NE2 2.84Å; H473-Y480 HydrophobicContact CB-CD2 4.37Å; H473-Y480 PolarHBondContact N-O 2.84Å; H473-Y480 PolarHBondContact O-N 2.82Å
474	H	78.5	Confident	84.3	Confident	71 Å²	71	30.4 Å²	30.4	33%	0.329	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.2	175	-60.1	85.6	0	0	0	108.5	Q451 V472 T479	Q451-H474 PolarHBondContact NE2-NE2 2.85Å; V472-H474 WeakPolarHBondContact CG1-CE1 3.26Å; H474-T479 PolarHBondContact CD2-OG1 3.09Å; H474-T479 WeakPolarHBondContact NE2-CG2 3.33Å
475	D	65.5	Low	84.3	Confident	16 Å²	16	27.7 Å²	27.7	9%	0.086	14%	0.136	C	C	.	.			trans	-107.2	-160.9	157.2	72.1	33.4	0	0	0	109.3	R444 L477 H478 Y480	R444-D475 WeakPolarHBondContact CD-O 3.24Å; R444-D475 PolarHBondContact NH1-O 3.45Å; D475-L477 VanDerWaalsContact C-N 3.34Å; D475-L477 WeakPolarHBondContact OD1-CA 3.37Å; D475-L477 PolarHBondContact OD1-N 2.89Å; D475-H478 PolarHBondContact N-O 2.83Å; D475-H478 PolarHBondContact OD1-N 3.25Å; D475-H478 IonicContact OD1-ND1 3.94Å; D475-H478 IonicContact OD2-ND1 3.31Å; D475-Y480 HydrophobicContact CB-CE2 4.32Å; D475-Y480 WeakPolarHBondContact OD2-CE2 3.34Å; D475-Y480 PolarHBondContact OD2-OH 3.41Å
476	Q	53.4	Low	84.2	Confident	69 Å²	69	28.3 Å²	28.3	32%	0.322	14%	0.139	S	C	.	.	S	Bend	trans	-88	-5.9	-172.6	-57.3	161.6	5.4	0	0	112.8	T22 H24	T22-Q476 WeakPolarHBondContact O-CB 3.3Å; T22-Q476 PolarHBondContact O-OE1 3.39Å; H24-Q476 VanDerWaalsContact CD2-CD 3.49Å; H24-Q476 PolarHBondContact CD2-OE1 2.91Å; H24-Q476 PolarHBondContact NE2-OE1 3.44Å
477	L	52.1	Low	84	Confident	56 Å²	56	34.8 Å²	34.8	29%	0.293	16%	0.164	S	C	.	.	S	Bend	trans	-125.4	-32.7	-177.6	-59.9	176.3	0	0	0	112.3	M398 R444 D475	M398-L477 HydrophobicContact CE-CD1 4.04Å; R444-L477 PolarHBondContact N-O 3.37Å; D475-L477 VanDerWaalsContact C-N 3.34Å; D475-L477 WeakPolarHBondContact OD1-CA 3.37Å; D475-L477 PolarHBondContact OD1-N 2.89Å
478	H	69.4	Low	83.5	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.9	-171	-50.7	101.4	0	0	0	114	I441 L442 D475 Y480	I441-H478 HydrophobicContact CG2-CB 3.97Å; L442-H478 CarbonylContact O-C 3.59Å; L442-H478 VanDerWaalsContact O-CA 3.22Å; L442-H478 WeakPolarHBondContact O-CA 3.47Å; D475-H478 PolarHBondContact N-O 2.83Å; D475-H478 PolarHBondContact OD1-N 3.25Å; D475-H478 IonicContact OD1-ND1 3.94Å; D475-H478 IonicContact OD2-ND1 3.31Å; H478-Y480 HydrophobicContact CB-CD2 4.32Å; H478-Y480 HydrophobicContact CB-CE2 3.68Å
479	T	75.1	Confident	83	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.5	159.7	-54.8	0	0	0	0	107.9	L442 T450 V472 H474 L481	L442-T479 PolarHBondContact N-O 2.81Å; L442-T479 PolarHBondContact O-N 3.12Å; T450-T479 HydrophobicContact CG2-CG2 3.75Å; V472-T479 HydrophobicContact CG1-CG2 3.87Å; H474-T479 PolarHBondContact CD2-OG1 3.09Å; H474-T479 WeakPolarHBondContact NE2-CG2 3.33Å; T479-L481 HydrophobicContact CG2-CD2 3.88Å
480	Y	84.6	Confident	82.5	Confident	3 Å²	3	37 Å²	37	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115	178.6	-56.1	-100.6	0	0	0	108.2	F404 F405 V439 I441 V472 H473 D475 H478	F404-Y480 HydrophobicContact CB-CD1 4.33Å; F404-Y480 HydrophobicContact CB-CD2 3.95Å; F404-Y480 HydrophobicContact CB-CE2 4.24Å; F404-Y480 HydrophobicContact CB-CG 4.01Å; F404-Y480 AromaticContact CD1-CD1 3.56Å; F404-Y480 HydrophobicContact CD1-CD1 3.56Å; F404-Y480 AromaticContact CD1-CE1 3.68Å; F404-Y480 HydrophobicContact CD1-CE1 3.68Å; F404-Y480 HydrophobicContact CD1-CG 4.1Å; F404-Y480 HydrophobicContact CD2-CD1 4.26Å; F404-Y480 HydrophobicContact CD2-CG 4.19Å; F404-Y480 AromaticContact CE1-CD1 3.92Å; F404-Y480 HydrophobicContact CE1-CD1 3.92Å; F404-Y480 HydrophobicContact CE1-CE1 4.15Å; F404-Y480 AromaticContact CG-CD1 3.76Å; F404-Y480 HydrophobicContact CG-CD1 3.76Å; F404-Y480 HydrophobicContact CG-CD2 4.25Å; F404-Y480 HydrophobicContact CG-CE1 4.22Å; F404-Y480 AromaticContact CG-CG 3.81Å; F404-Y480 HydrophobicContact CG-CG 3.81Å; F404-Y480 HydrophobicContact CZ-CD1 4.42Å; F405-Y480 HydrophobicContact CE2-CE1 4.17Å; V439-Y480 HydrophobicContact CG2-CD1 4.02Å; V439-Y480 HydrophobicContact CG2-CG 4.43Å; I441-Y480 HydrophobicContact CB-CD1 4.39Å; I441-Y480 HydrophobicContact CD1-CD1 4.23Å; I441-Y480 HydrophobicContact CD1-CE1 4.05Å; I441-Y480 HydrophobicContact CG1-CD1 3.85Å; I441-Y480 HydrophobicContact CG1-CE1 4.09Å; I441-Y480 HydrophobicContact CG2-CD1 3.99Å; I441-Y480 HydrophobicContact CG2-CE1 3.75Å; V472-Y480 WeakPolarHBondContact CA-O 3.49Å; H473-Y480 HydrophobicContact CB-CD2 4.37Å; H473-Y480 PolarHBondContact N-O 2.84Å; H473-Y480 PolarHBondContact O-N 2.82Å; D475-Y480 HydrophobicContact CB-CE2 4.32Å; D475-Y480 WeakPolarHBondContact OD2-CE2 3.34Å; D475-Y480 PolarHBondContact OD2-OH 3.41Å; H478-Y480 HydrophobicContact CB-CD2 4.32Å; H478-Y480 HydrophobicContact CB-CE2 3.68Å
481	L	90.4	Very high	82.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.1	171.1	-47.8	-172.9	0	0	0	107.4	V439 K440 L442 T450 E453 V454 L457 L469 V472 T479 L483	V439-L481 WeakPolarHBondContact CA-O 2.92Å; K440-L481 HydrophobicContact CB-CB 4.23Å; K440-L481 HydrophobicContact CD-CD1 4.5Å; K440-L481 PolarHBondContact N-O 2.63Å; K440-L481 PolarHBondContact O-N 2.75Å; L442-L481 HydrophobicContact CD1-CD1 3.9Å; L442-L481 HydrophobicContact CD1-CG 3.71Å; T450-L481 HydrophobicContact CG2-CD2 4.25Å; E453-L481 HydrophobicContact CG-CD1 4.2Å; V454-L481 HydrophobicContact CG2-CD1 4.35Å; V454-L481 HydrophobicContact CG2-CD2 3.39Å; L457-L481 HydrophobicContact CD1-CD1 4.24Å; L469-L481 HydrophobicContact CD1-CB 3.85Å; V472-L481 HydrophobicContact CG1-CD2 3.89Å; V472-L481 HydrophobicContact CG2-CD2 4.11Å; T479-L481 HydrophobicContact CG2-CD2 3.88Å; L481-L483 PolarHBondContact O-N 2.66Å
482	V	93.4	Very high	81.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.4	176.6	-174.3	0	0	0	0	107.6	F404 Y408 F437 V439 H470 E471	F404-V482 HydrophobicContact CD2-CG2 4.03Å; F404-V482 HydrophobicContact CE2-CG2 3.82Å; Y408-V482 HydrophobicContact CD1-CG1 4.44Å; Y408-V482 HydrophobicContact CE1-CG1 3.77Å; Y408-V482 HydrophobicContact CE2-CG2 4.34Å; F437-V482 HydrophobicContact CB-CG1 3.79Å; F437-V482 HydrophobicContact CD1-CG1 3.96Å; F437-V482 HydrophobicContact CG-CG1 3.9Å; V439-V482 HydrophobicContact CG2-CG2 4.48Å; H470-V482 HydrophobicContact CB-CG1 4.29Å; H470-V482 WeakPolarHBondContact CB-O 3.4Å; H470-V482 PolarHBondContact N-O 2.8Å; E471-V482 HydrophobicContact CB-CB 4.18Å; E471-V482 HydrophobicContact CB-CG2 4.38Å; E471-V482 PolarHBondContact N-O 2.85Å; E471-V482 PolarHBondContact O-N 2.82Å
483	L	93.8	Very high	80.9	Confident	14 Å²	14	32.2 Å²	32.2	7%	0.073	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	155.7	-177.9	-56.6	174.1	0	0	0	109.5	F437 A438 K440 L457 V467 N468 L469 L481	F437-L483 WeakPolarHBondContact CB-O 3.39Å; A438-L483 HydrophobicContact CB-CB 4.32Å; A438-L483 PolarHBondContact N-O 2.9Å; A438-L483 PolarHBondContact O-N 2.77Å; A438-L483 VanDerWaalsContact O-O 3.06Å; K440-L483 HydrophobicContact CB-CD1 4.45Å; L457-L483 HydrophobicContact CD1-CD2 4.31Å; V467-L483 HydrophobicContact CG1-CD2 4.26Å; V467-L483 HydrophobicContact CG2-CB 4.06Å; V467-L483 HydrophobicContact CG2-CD2 4.46Å; N468-L483 VanDerWaalsContact O-CA 3.31Å; N468-L483 WeakPolarHBondContact O-CA 3.44Å; L469-L483 HydrophobicContact CB-CD2 4.07Å; L469-L483 HydrophobicContact CD1-CD2 3.7Å; L481-L483 PolarHBondContact O-N 2.66Å
484	E	93.6	Very high	80.8	Confident	45 Å²	45	32.4 Å²	32.4	21%	0.21	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	146.9	167.4	71.1	-168.8	151.2	0	0	111.6	V467 N468 L486 K548	V467-E484 WeakPolarHBondContact CA-OE1 3.18Å; V467-E484 HydrophobicContact CG2-CG 3.91Å; N468-E484 HydrophobicContact CB-CB 4.21Å; N468-E484 HydrophobicContact CB-CG 4.11Å; N468-E484 PolarHBondContact N-OE1 2.79Å; N468-E484 VanDerWaalsContact ND2-CD 3.34Å; N468-E484 PolarHBondContact ND2-OE1 2.83Å; N468-E484 PolarHBondContact ND2-OE2 3.01Å; N468-E484 PolarHBondContact O-N 3.27Å; E484-L486 HydrophobicContact CG-CD2 3.72Å; E484-L486 HydrophobicContact CG-CG 4.44Å; E484-L486 PolarHBondContact O-N 2.61Å; E484-K548 WeakPolarHBondContact OE1-CD 3.41Å; E484-K548 VanDerWaalsContact OE1-CE 3.31Å; E484-K548 WeakPolarHBondContact OE1-CE 3.22Å; E484-K548 IonicContact OE1-NZ 3.71Å; E484-K548 PolarHBondContact OE1-NZ 3.4Å; E484-K548 IonicContact OE2-NZ 3.15Å; E484-K548 PolarHBondContact OE2-NZ 2.8Å
485	L	92.8	Very high	81	Confident	28 Å²	28	29 Å²	29	15%	0.147	14%	0.141	C	C	.	.			trans	-88.2	105.8	179.7	-176.5	60.2	0	0	0	111.3	L417 R427 E436 A438 R487	L417-L485 HydrophobicContact CD1-CD1 3.83Å; R427-L485 HydrophobicContact CG-CD2 3.96Å; E436-L485 HydrophobicContact CB-CD2 3.7Å; A438-L485 HydrophobicContact CB-CD1 4.13Å; L485-R487 HydrophobicContact CG-CG 4.39Å
486	L	91.8	Very high	81.7	Confident	24 Å²	24	32.3 Å²	32.3	13%	0.126	15%	0.152	C	C	.	.			trans	-83.2	126.8	173.8	-49.2	-177.7	0	0	0	110	E484 L537 A539 K548 I550	E484-L486 HydrophobicContact CG-CD2 3.72Å; E484-L486 HydrophobicContact CG-CG 4.44Å; E484-L486 PolarHBondContact O-N 2.61Å; L486-L537 HydrophobicContact CB-CB 4.22Å; L486-L537 HydrophobicContact CB-CD2 4.24Å; L486-L537 HydrophobicContact CD1-CB 3.77Å; L486-L537 HydrophobicContact CD1-CD2 4.44Å; L486-A539 HydrophobicContact CD2-CB 4.43Å; L486-K548 HydrophobicContact CD1-CB 3.87Å; L486-K548 HydrophobicContact CD1-CD 4.42Å; L486-K548 HydrophobicContact CD2-CD 3.73Å; L486-I550 HydrophobicContact CD1-CG2 3.48Å; L486-I550 VanDerWaalsContact CD1-CG2 3.48Å
487	R	88.8	Confident	83	Confident	136 Å²	136	35.4 Å²	35.4	51%	0.513	16%	0.164	S	C	.	.			trans	-106	-23.2	-172.7	-61.4	-172.3	-173.8	-93.9	4.6	114.4	E436 L485 G489 A539	E436-R487 IonicContact OE2-CZ 3.18Å; E436-R487 IonicContact OE2-NH1 3.42Å; E436-R487 PolarHBondContact OE2-NH1 3.08Å; E436-R487 IonicContact OE2-NH2 2.68Å; E436-R487 PolarHBondContact OE2-NH2 2.76Å; L485-R487 HydrophobicContact CG-CG 4.39Å; R487-G489 PolarHBondContact O-N 3.06Å; R487-G489 VanDerWaalsContact O-N 3.14Å; R487-A539 PolarHBondContact N-O 3.03Å
488	G	83.1	Confident	84.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-74.7	-0.5	-172.5	0	0	0	0	0	116	H494 Y538 D540	G488-H494 PolarHBondContact O-ND1 2.85Å; G488-Y538 WeakPolarHBondContact CA-O 3.39Å; G488-Y538 PolarHBondContact N-O 2.88Å; G488-D540 WeakPolarHBondContact CA-O 3.23Å
489	G	83.2	Confident	84.7	Confident	26 Å²	26	46 Å²	46	27%	0.268	20%	0.202	S	C	.	.			trans	73.8	-178	176.1	0	0	0	0	0	115.2	R487 L537 Y538	R487-G489 PolarHBondContact O-N 3.06Å; R487-G489 VanDerWaalsContact O-N 3.14Å; G489-L537 CarbonylContact O-C 3.48Å; G489-L537 VanDerWaalsContact O-CA 3.26Å; G489-L537 WeakPolarHBondContact O-CA 3.49Å; G489-Y538 PolarHBondContact O-N 2.86Å
490	E	82.7	Confident	85	Confident	94 Å²	94	52.6 Å²	52.6	44%	0.439	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-64	142.2	-179.9	-65.1	172.2	-141.5	0	0	112.6	L492 E493 H494 L537	E490-L492 PolarHBondContact O-N 3.45Å; E490-E493 HydrophobicContact CB-CB 4.4Å; E490-E493 PolarHBondContact O-N 3.06Å; E490-H494 PolarHBondContact O-N 2.84Å; E490-L537 HydrophobicContact CG-CD1 4.37Å
491	L	84.1	Confident	85.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-44.4	-53.4	-177.6	173.1	59.6	0	0	0	114.2	H494 I495 I509 P533 I536 Y538 V547 I598 M602	L491-H494 PolarHBondContact O-N 3.39Å; L491-I495 HydrophobicContact CD1-CD1 3.77Å; L491-I495 HydrophobicContact CD1-CG1 4.46Å; L491-I495 HydrophobicContact CG-CD1 4.16Å; L491-I495 WeakPolarHBondContact O-CG1 3.35Å; L491-I495 PolarHBondContact O-N 2.98Å; L491-I509 HydrophobicContact CD1-CD1 4.24Å; L491-I509 HydrophobicContact CD1-CG2 4Å; L491-P533 HydrophobicContact CD2-CB 4.49Å; L491-I536 HydrophobicContact CB-CB 4.32Å; L491-I536 HydrophobicContact CB-CG2 4.12Å; L491-I536 WeakPolarHBondContact CB-O 3.38Å; L491-I536 HydrophobicContact CD2-CB 4.43Å; L491-I536 HydrophobicContact CD2-CD1 4.47Å; L491-I536 HydrophobicContact CD2-CG2 4.11Å; L491-I536 PolarHBondContact N-O 3.31Å; L491-Y538 HydrophobicContact CD1-CE2 3.86Å; L491-V547 HydrophobicContact CD1-CG1 4.44Å; L491-I598 HydrophobicContact CD2-CG2 3.99Å; L491-M602 HydrophobicContact CD1-SD 4.3Å; L491-M602 HydrophobicContact CD2-CG 4.5Å; L491-M602 HydrophobicContact CD2-SD 4.2Å
492	L	80.3	Confident	85.1	Confident	24 Å²	24	53.8 Å²	53.8	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-76.9	-32.7	-173.8	-65.4	170.4	0	0	0	112.8	E490 H494 I495 R496 P533 M601 L691	E490-L492 PolarHBondContact O-N 3.45Å; L492-H494 VanDerWaalsContact C-N 3.31Å; L492-I495 HydrophobicContact CD2-CD1 4.48Å; L492-I495 PolarHBondContact O-N 2.94Å; L492-R496 VanDerWaalsContact O-CB 3.3Å; L492-R496 WeakPolarHBondContact O-CB 3.38Å; L492-R496 PolarHBondContact O-N 3.17Å; L492-P533 HydrophobicContact CD1-CB 3.62Å; L492-P533 HydrophobicContact CD1-CG 3.83Å; L492-P533 HydrophobicContact CG-CB 3.9Å; L492-P533 HydrophobicContact CG-CG 4.34Å; L492-M601 HydrophobicContact CD1-CE 3.36Å; L492-M601 HydrophobicContact CD1-SD 4.36Å; L492-M601 HydrophobicContact CD2-CB 4.3Å; L492-L691 HydrophobicContact CB-CD1 4.46Å; L492-L691 HydrophobicContact CD2-CD1 4.3Å
493	E	77.3	Confident	84.8	Confident	40 Å²	40	54 Å²	54	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-30.8	173.5	-72.1	-62.5	145	0	0	111.6	E490 R496 K497 R699	E490-E493 HydrophobicContact CB-CB 4.4Å; E490-E493 PolarHBondContact O-N 3.06Å; E493-R496 IonicContact OE1-NE 3.01Å; E493-R496 IonicContact OE2-CZ 2.85Å; E493-R496 VanDerWaalsContact OE2-CZ 3.22Å; E493-R496 IonicContact OE2-NE 3.29Å; E493-R496 PolarHBondContact OE2-NE 3.49Å; E493-R496 IonicContact OE2-NH2 3.99Å; E493-R496 PolarHBondContact OE2-NH2 3.13Å; E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.33Å; E493-K497 PolarHBondContact O-N 3.31Å; E493-R699 IonicContact OE1-CZ 2.75Å; E493-R699 IonicContact OE1-NE 3.3Å; E493-R699 IonicContact OE1-NH2 3.49Å; E493-R699 PolarHBondContact OE1-NH2 2.89Å
494	H	81.9	Confident	84.5	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-44.5	171.4	-166.2	118.5	0	0	0	111.4	G488 E490 L491 L492 R496 K497 Y538	G488-H494 PolarHBondContact O-ND1 2.85Å; E490-H494 PolarHBondContact O-N 2.84Å; L491-H494 PolarHBondContact O-N 3.39Å; L492-H494 VanDerWaalsContact C-N 3.31Å; H494-R496 VanDerWaalsContact C-N 3.33Å; H494-R496 PolarHBondContact O-N 3.39Å; H494-K497 PolarHBondContact O-N 3.42Å; H494-K497 VanDerWaalsContact O-N 3.16Å; H494-Y538 HydrophobicContact CB-CD2 3.56Å; H494-Y538 HydrophobicContact CB-CE2 3.54Å; H494-Y538 AromaticContact CD2-CE2 3.89Å; H494-Y538 AromaticContact CG-CD2 3.51Å; H494-Y538 AromaticContact CG-CE2 3.57Å; H494-Y538 AromaticContact ND1-CD2 3.58Å; H494-Y538 AromaticContact ND1-CG 3.83Å
495	I	83.3	Confident	84.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-41.9	174.5	-68.1	164.3	0	0	0	111.1	L491 L492 K497 K498 F501 M602 T687 L691	L491-I495 HydrophobicContact CD1-CD1 3.77Å; L491-I495 HydrophobicContact CD1-CG1 4.46Å; L491-I495 HydrophobicContact CG-CD1 4.16Å; L491-I495 WeakPolarHBondContact O-CG1 3.35Å; L491-I495 PolarHBondContact O-N 2.98Å; L492-I495 HydrophobicContact CD2-CD1 4.48Å; L492-I495 PolarHBondContact O-N 2.94Å; I495-K497 PolarHBondContact O-N 2.84Å; I495-K498 WeakPolarHBondContact O-CB 3.46Å; I495-K498 PolarHBondContact O-N 2.99Å; I495-F501 HydrophobicContact CD1-CE1 4.03Å; I495-F501 HydrophobicContact CD1-CE2 4.2Å; I495-F501 HydrophobicContact CD1-CZ 3.74Å; I495-F501 HydrophobicContact CG1-CD2 4.24Å; I495-F501 HydrophobicContact CG1-CE1 4.31Å; I495-F501 HydrophobicContact CG1-CE2 3.94Å; I495-F501 HydrophobicContact CG1-CZ 3.97Å; I495-F501 HydrophobicContact CG2-CB 4.31Å; I495-F501 HydrophobicContact CG2-CD1 3.75Å; I495-F501 HydrophobicContact CG2-CD2 4.38Å; I495-F501 HydrophobicContact CG2-CE1 4.12Å; I495-F501 HydrophobicContact CG2-CG 3.89Å; I495-M602 HydrophobicContact CD1-CG 4.01Å; I495-M602 HydrophobicContact CD1-SD 4.45Å; I495-T687 HydrophobicContact CG2-CG2 3.64Å; I495-L691 HydrophobicContact CB-CD1 4.45Å; I495-L691 HydrophobicContact CG2-CD1 4.14Å
496	R	80.6	Confident	84	Confident	86 Å²	86	53.3 Å²	53.3	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-24.6	176.6	-168.9	177.5	71.2	79.2	0	113.7	L492 E493 H494 L691	L492-R496 VanDerWaalsContact O-CB 3.3Å; L492-R496 WeakPolarHBondContact O-CB 3.38Å; L492-R496 PolarHBondContact O-N 3.17Å; E493-R496 IonicContact OE1-NE 3.01Å; E493-R496 IonicContact OE2-CZ 2.85Å; E493-R496 VanDerWaalsContact OE2-CZ 3.22Å; E493-R496 IonicContact OE2-NE 3.29Å; E493-R496 PolarHBondContact OE2-NE 3.49Å; E493-R496 IonicContact OE2-NH2 3.99Å; E493-R496 PolarHBondContact OE2-NH2 3.13Å; H494-R496 VanDerWaalsContact C-N 3.33Å; H494-R496 PolarHBondContact O-N 3.39Å; R496-L691 HydrophobicContact CB-CB 4.03Å; R496-L691 HydrophobicContact CB-CD1 4.35Å; R496-L691 WeakPolarHBondContact CD-O 2.46Å; R496-L691 HydrophobicContact CG-CB 3.86Å
497	K	81.6	Confident	84	Confident	133 Å²	133	52.2 Å²	52.2	58%	0.578	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.7	175.8	-67.7	165.3	-171.4	175.5	0	113.5	E493 H494 I495	E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.33Å; E493-K497 PolarHBondContact O-N 3.31Å; H494-K497 PolarHBondContact O-N 3.42Å; H494-K497 VanDerWaalsContact O-N 3.16Å; I495-K497 PolarHBondContact O-N 2.84Å
498	K	81.3	Confident	84	Confident	53 Å²	53	50 Å²	50	23%	0.23	23%	0.23	C	C	.	.			trans	-81.1	128.9	-175.6	-74.6	-174	169.7	-177.6	0	111.5	I495 H500 F501 E505 P688	I495-K498 WeakPolarHBondContact O-CB 3.46Å; I495-K498 PolarHBondContact O-N 2.99Å; K498-H500 PolarHBondContact O-N 3.21Å; K498-F501 HydrophobicContact CD-CD2 4.02Å; K498-E505 IonicContact NZ-OE1 2.66Å; K498-E505 PolarHBondContact NZ-OE1 3.34Å; K498-P688 VanDerWaalsContact O-CB 3.24Å; K498-P688 WeakPolarHBondContact O-CB 3.4Å; K498-P688 WeakPolarHBondContact O-CG 3.33Å
499	R	75.8	Confident	84.4	Confident	238 Å²	238	50.6 Å²	50.6	90%	0.898	23%	0.233	S	C	*	.	S	Bend	trans	-65.1	-27.7	172.6	-70.6	-176.5	174.4	-127.3	-0.9	113.6
500	H	81.6	Confident	84.8	Confident	139 Å²	139	49.3 Å²	49.3	64%	0.644	22%	0.22	S	C	*	.			trans	-141.8	133.7	173.1	-54.9	111.4	0	0	0	107.1	K498 P684	K498-H500 PolarHBondContact O-N 3.21Å; H500-P684 HydrophobicContact CB-CB 4.33Å
501	F	86.9	Confident	85.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.216	C	C	.	.			trans	-132.3	130.7	171.2	178.5	-113.7	0	0	0	107.6	I495 K498 E505 A506 I509 M602 L685 T687 P688	I495-F501 HydrophobicContact CD1-CE1 4.03Å; I495-F501 HydrophobicContact CD1-CE2 4.2Å; I495-F501 HydrophobicContact CD1-CZ 3.74Å; I495-F501 HydrophobicContact CG1-CD2 4.24Å; I495-F501 HydrophobicContact CG1-CE1 4.31Å; I495-F501 HydrophobicContact CG1-CE2 3.94Å; I495-F501 HydrophobicContact CG1-CZ 3.97Å; I495-F501 HydrophobicContact CG2-CB 4.31Å; I495-F501 HydrophobicContact CG2-CD1 3.75Å; I495-F501 HydrophobicContact CG2-CD2 4.38Å; I495-F501 HydrophobicContact CG2-CE1 4.12Å; I495-F501 HydrophobicContact CG2-CG 3.89Å; K498-F501 HydrophobicContact CD-CD2 4.02Å; F501-E505 HydrophobicContact CD2-CB 3.91Å; F501-E505 HydrophobicContact CE2-CB 3.55Å; F501-E505 HydrophobicContact CZ-CB 4.35Å; F501-A506 HydrophobicContact CE1-CB 4.09Å; F501-A506 HydrophobicContact CZ-CB 3.94Å; F501-I509 HydrophobicContact CE2-CD1 3.75Å; F501-I509 HydrophobicContact CZ-CD1 3.83Å; F501-M602 HydrophobicContact CE1-CB 4.35Å; F501-M602 WeakPolarHBondContact CE1-O 3.15Å; F501-L685 HydrophobicContact CD1-CD1 3.84Å; F501-L685 HydrophobicContact CE1-CD1 3.95Å; F501-L685 WeakPolarHBondContact O-CB 3.32Å; F501-L685 PolarHBondContact O-N 2.88Å; F501-T687 HydrophobicContact CD1-CG2 4.49Å; F501-P688 HydrophobicContact CB-CG 3.87Å
502	S	88.8	Confident	85.7	Confident	27 Å²	27	50.8 Å²	50.8	19%	0.189	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-112.1	159.3	-169.4	63.7	0	0	0	0	113	S504 E505 A506	S502-S504 PolarHBondContact O-N 2.91Å; S502-E505 WeakPolarHBondContact CB-OE2 3.37Å; S502-E505 PolarHBondContact N-OE2 3.12Å; S502-E505 PolarHBondContact O-N 2.81Å; S502-E505 VanDerWaalsContact O-N 3.13Å; S502-E505 WeakPolarHBondContact OG-CG 3.34Å; S502-E505 PolarHBondContact OG-N 3.33Å; S502-E505 PolarHBondContact OG-OE2 3.29Å; S502-A506 PolarHBondContact O-N 2.89Å
503	E	87.7	Confident	86.3	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-29.9	173.5	-162.5	-179.6	108.4	0	0	112.3	A506 S507 L603 V643 S644 A647 W673 L685	E503-A506 PolarHBondContact O-N 2.9Å; E503-S507 WeakPolarHBondContact O-CB 3.31Å; E503-S507 PolarHBondContact O-N 3.45Å; E503-L603 HydrophobicContact CG-CD2 4.05Å; E503-V643 WeakPolarHBondContact OE2-CA 3.15Å; E503-S644 VanDerWaalsContact OE1-CB 3.27Å; E503-S644 WeakPolarHBondContact OE1-CB 3.5Å; E503-S644 PolarHBondContact OE1-OG 3.37Å; E503-S644 PolarHBondContact OE2-N 3.48Å; E503-S644 PolarHBondContact OE2-OG 3.35Å; E503-A647 HydrophobicContact CG-CB 4.48Å; E503-W673 HydrophobicContact CG-CZ2 3.64Å; E503-W673 PolarHBondContact OE1-NE1 3.02Å; E503-L685 HydrophobicContact CB-CD2 4.43Å
504	S	86.6	Confident	87.1	Confident	25 Å²	25	48 Å²	48	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-42.5	172.3	-178.6	0	0	0	0	112.2	S502 S507 Q508 G677	S502-S504 PolarHBondContact O-N 2.91Å; S504-S507 WeakPolarHBondContact O-CB 3.49Å; S504-S507 PolarHBondContact O-N 3.02Å; S504-Q508 VanDerWaalsContact O-CG 3.26Å; S504-Q508 WeakPolarHBondContact O-CG 3.23Å; S504-Q508 PolarHBondContact O-N 3.33Å; S504-Q508 PolarHBondContact O-NE2 3.34Å; S504-Q508 PolarHBondContact OG-NE2 2.97Å; S504-Q508 VanDerWaalsContact OG-NE2 3.12Å; S504-G677 WeakPolarHBondContact CB-O 3.33Å; S504-G677 PolarHBondContact OG-O 2.86Å
505	E	87.8	Confident	87.6	Confident	46 Å²	46	49.7 Å²	49.7	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-40.4	174.6	-70.2	163.6	90.4	0	0	111.6	K498 F501 S502 S507 Q508 I509	K498-E505 IonicContact NZ-OE1 2.66Å; K498-E505 PolarHBondContact NZ-OE1 3.34Å; F501-E505 HydrophobicContact CD2-CB 3.91Å; F501-E505 HydrophobicContact CE2-CB 3.55Å; F501-E505 HydrophobicContact CZ-CB 4.35Å; S502-E505 WeakPolarHBondContact CB-OE2 3.37Å; S502-E505 PolarHBondContact N-OE2 3.12Å; S502-E505 PolarHBondContact O-N 2.81Å; S502-E505 VanDerWaalsContact O-N 3.13Å; S502-E505 WeakPolarHBondContact OG-CG 3.34Å; S502-E505 PolarHBondContact OG-N 3.33Å; S502-E505 PolarHBondContact OG-OE2 3.29Å; E505-S507 VanDerWaalsContact C-N 3.31Å; E505-S507 PolarHBondContact O-N 3.41Å; E505-Q508 PolarHBondContact O-N 3Å; E505-I509 WeakPolarHBondContact O-CD1 3.36Å; E505-I509 VanDerWaalsContact O-CG1 3.27Å; E505-I509 WeakPolarHBondContact O-CG1 3.21Å; E505-I509 PolarHBondContact O-N 2.89Å
506	A	89.6	Confident	88.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-39.5	173.1	0	0	0	0	0	112.1	F501 S502 E503 L510 M602 L603 W673 L685	F501-A506 HydrophobicContact CE1-CB 4.09Å; F501-A506 HydrophobicContact CZ-CB 3.94Å; S502-A506 PolarHBondContact O-N 2.89Å; E503-A506 PolarHBondContact O-N 2.9Å; A506-L510 WeakPolarHBondContact O-CB 3.48Å; A506-L510 PolarHBondContact O-N 2.94Å; A506-M602 HydrophobicContact CB-CB 4.38Å; A506-L603 HydrophobicContact CB-CD2 4.11Å; A506-W673 HydrophobicContact CB-CH2 4.28Å; A506-L685 HydrophobicContact CB-CD1 4.47Å
507	S	90.6	Very high	88.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-42.1	172.9	172	0	0	0	0	112.2	E503 S504 E505 L510 R511 W673 L674	E503-S507 WeakPolarHBondContact O-CB 3.31Å; E503-S507 PolarHBondContact O-N 3.45Å; S504-S507 WeakPolarHBondContact O-CB 3.49Å; S504-S507 PolarHBondContact O-N 3.02Å; E505-S507 VanDerWaalsContact C-N 3.31Å; E505-S507 PolarHBondContact O-N 3.41Å; S507-L510 PolarHBondContact O-N 2.74Å; S507-R511 VanDerWaalsContact O-CB 3.28Å; S507-R511 WeakPolarHBondContact O-CB 3.44Å; S507-R511 PolarHBondContact O-N 3.3Å; S507-R511 PolarHBondContact OG-NH2 2.75Å; S507-W673 VanDerWaalsContact CA-CZ3 3.48Å; S507-W673 PolarHBondContact OG-O 2.76Å; S507-L674 WeakPolarHBondContact O-CD2 3.31Å
508	Q	89.2	Confident	89.1	Confident	90 Å²	90	39.5 Å²	39.5	42%	0.421	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-43.1	175.6	-68.8	165	42.8	0	0	112.6	S504 E505 R511 S512	S504-Q508 VanDerWaalsContact O-CG 3.26Å; S504-Q508 WeakPolarHBondContact O-CG 3.23Å; S504-Q508 PolarHBondContact O-N 3.33Å; S504-Q508 PolarHBondContact O-NE2 3.34Å; S504-Q508 PolarHBondContact OG-NE2 2.97Å; S504-Q508 VanDerWaalsContact OG-NE2 3.12Å; E505-Q508 PolarHBondContact O-N 3Å; Q508-R511 PolarHBondContact O-N 3.14Å; Q508-S512 PolarHBondContact O-N 3.38Å; Q508-S512 VanDerWaalsContact O-N 3.15Å; Q508-S512 PolarHBondContact O-OG 3.45Å
509	I	91.6	Very high	89.6	Confident	11 Å²	11	39.2 Å²	39.2	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-47.1	176.4	-64.4	157.3	0	0	0	110.3	L491 F501 E505 R511 S512 L513 Y538 V547 M602	L491-I509 HydrophobicContact CD1-CD1 4.24Å; L491-I509 HydrophobicContact CD1-CG2 4Å; F501-I509 HydrophobicContact CE2-CD1 3.75Å; F501-I509 HydrophobicContact CZ-CD1 3.83Å; E505-I509 WeakPolarHBondContact O-CD1 3.36Å; E505-I509 VanDerWaalsContact O-CG1 3.27Å; E505-I509 WeakPolarHBondContact O-CG1 3.21Å; E505-I509 PolarHBondContact O-N 2.89Å; I509-R511 VanDerWaalsContact C-N 3.35Å; I509-R511 PolarHBondContact O-N 3.35Å; I509-S512 WeakPolarHBondContact O-CB 3.44Å; I509-S512 PolarHBondContact O-N 3.31Å; I509-L513 HydrophobicContact CG2-CD1 4.11Å; I509-L513 WeakPolarHBondContact O-CG 3.27Å; I509-L513 PolarHBondContact O-N 2.81Å; I509-Y538 WeakPolarHBondContact CD1-OH 3.32Å; I509-V547 HydrophobicContact CG1-CG1 4.48Å; I509-V547 HydrophobicContact CG2-CG1 4.16Å; I509-V547 HydrophobicContact CG2-CG2 4.21Å; I509-M602 HydrophobicContact CB-CE 4.34Å; I509-M602 HydrophobicContact CB-SD 3.93Å; I509-M602 HydrophobicContact CD1-SD 4.11Å; I509-M602 HydrophobicContact CG2-CE 4.1Å; I509-M602 HydrophobicContact CG2-SD 3.5Å; I509-M602 VanDerWaalsContact CG2-SD 3.5Å
510	L	92.8	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-41.5	177.9	-171	71.5	0	0	0	111.3	A506 S507 S512 L513 V514 L595 L599 M602 W673 L674	A506-L510 WeakPolarHBondContact O-CB 3.48Å; A506-L510 PolarHBondContact O-N 2.94Å; S507-L510 PolarHBondContact O-N 2.74Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.37Å; L510-L513 PolarHBondContact O-N 3.33Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L510-V514 HydrophobicContact CD1-CG2 4.35Å; L510-V514 HydrophobicContact CG-CG2 4.03Å; L510-V514 WeakPolarHBondContact O-CB 3.28Å; L510-V514 VanDerWaalsContact O-CG2 3.27Å; L510-V514 WeakPolarHBondContact O-CG2 3.33Å; L510-V514 PolarHBondContact O-N 2.84Å; L510-L595 HydrophobicContact CD1-CB 4.27Å; L510-L595 HydrophobicContact CD1-CD2 4.45Å; L510-L599 HydrophobicContact CD1-CB 4.37Å; L510-L599 HydrophobicContact CD2-CD1 4.02Å; L510-L599 HydrophobicContact CD2-CD2 3.81Å; L510-L599 HydrophobicContact CD2-CG 4.36Å; L510-M602 HydrophobicContact CB-CE 4.29Å; L510-W673 HydrophobicContact CB-CZ3 4.22Å; L510-W673 HydrophobicContact CD2-CE3 4.42Å; L510-W673 HydrophobicContact CD2-CZ3 3.71Å; L510-L674 HydrophobicContact CB-CD2 4.05Å; L510-L674 HydrophobicContact CD2-CD1 4.16Å; L510-L674 HydrophobicContact CD2-CD2 4.03Å; L510-L674 HydrophobicContact CD2-CG 4.36Å; L510-L674 HydrophobicContact CG-CD2 4.17Å
511	R	91.7	Very high	90.6	Very high	92 Å²	92	21.9 Å²	21.9	35%	0.347	12%	0.115	S	C	.	.	H	α-helix	trans	-56.3	-43.8	176.2	-166.8	-175.5	-60.4	103.3	13	111.9	S507 Q508 I509 S515 L674	S507-R511 VanDerWaalsContact O-CB 3.28Å; S507-R511 WeakPolarHBondContact O-CB 3.44Å; S507-R511 PolarHBondContact O-N 3.3Å; S507-R511 PolarHBondContact OG-NH2 2.75Å; Q508-R511 PolarHBondContact O-N 3.14Å; I509-R511 VanDerWaalsContact C-N 3.35Å; I509-R511 PolarHBondContact O-N 3.35Å; R511-S515 WeakPolarHBondContact O-CB 3.46Å; R511-S515 PolarHBondContact O-N 3.29Å; R511-L674 HydrophobicContact CB-CD2 3.94Å; R511-L674 PolarHBondContact NE-O 2.96Å; R511-L674 PolarHBondContact NH2-O 3.3Å
512	S	92.9	Very high	90.6	Very high	33 Å²	33	25.6 Å²	25.6	23%	0.231	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-44.4	175.2	-73.3	0	0	0	0	112.7	N465 Q508 I509 L510 S515 A516	N465-S512 WeakPolarHBondContact ND2-CB 3.49Å; N465-S512 PolarHBondContact ND2-OG 3.28Å; N465-S512 PolarHBondContact OD1-O 3.01Å; Q508-S512 PolarHBondContact O-N 3.38Å; Q508-S512 VanDerWaalsContact O-N 3.15Å; Q508-S512 PolarHBondContact O-OG 3.45Å; I509-S512 WeakPolarHBondContact O-CB 3.44Å; I509-S512 PolarHBondContact O-N 3.31Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.37Å; S512-S515 PolarHBondContact O-N 3.13Å; S512-A516 PolarHBondContact O-N 3.09Å; S512-A516 VanDerWaalsContact O-N 3.08Å
513	L	92.9	Very high	90.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.7	-40.7	178.4	-65.1	172.8	0	0	0	112.1	I509 L510 A516 V517 I536 V547 I549 L595 I598	I509-L513 HydrophobicContact CG2-CD1 4.11Å; I509-L513 WeakPolarHBondContact O-CG 3.27Å; I509-L513 PolarHBondContact O-N 2.81Å; L510-L513 PolarHBondContact O-N 3.33Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L513-A516 PolarHBondContact O-N 2.84Å; L513-V517 WeakPolarHBondContact O-CG2 3.32Å; L513-V517 PolarHBondContact O-N 3.37Å; L513-I536 HydrophobicContact CD1-CD1 3.95Å; L513-I536 HydrophobicContact CD2-CD1 3.8Å; L513-I536 HydrophobicContact CD2-CG1 4.05Å; L513-I536 HydrophobicContact CD2-CG2 4.06Å; L513-V547 HydrophobicContact CD2-CG2 4.2Å; L513-V547 HydrophobicContact CG-CG2 4.3Å; L513-I549 HydrophobicContact CD2-CD1 4.2Å; L513-I549 HydrophobicContact CD2-CG1 4.04Å; L513-L595 HydrophobicContact CB-CD2 3.66Å; L513-L595 HydrophobicContact CD1-CD2 4.39Å; L513-I598 HydrophobicContact CD1-CG2 4.11Å
514	V	93.3	Very high	90.4	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-44.2	175	170.4	0	0	0	0	110.6	L510 A516 V517 S518 L595 L668 L674	L510-V514 HydrophobicContact CD1-CG2 4.35Å; L510-V514 HydrophobicContact CG-CG2 4.03Å; L510-V514 WeakPolarHBondContact O-CB 3.28Å; L510-V514 VanDerWaalsContact O-CG2 3.27Å; L510-V514 WeakPolarHBondContact O-CG2 3.33Å; L510-V514 PolarHBondContact O-N 2.84Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 2.84Å; V514-V517 PolarHBondContact O-N 3.32Å; V514-S518 WeakPolarHBondContact O-CB 3.31Å; V514-S518 PolarHBondContact O-N 3.05Å; V514-L595 HydrophobicContact CG2-CD1 3.94Å; V514-L668 HydrophobicContact CB-CD2 4.45Å; V514-L668 HydrophobicContact CG1-CD2 4.06Å; V514-L668 HydrophobicContact CG1-CG 4.15Å; V514-L668 HydrophobicContact CG2-CD2 3.5Å; V514-L668 VanDerWaalsContact CG2-CD2 3.5Å; V514-L668 HydrophobicContact CG2-CG 3.92Å; V514-L674 HydrophobicContact CG2-CD1 4.14Å
515	S	93.4	Very high	90.3	Very high	57 Å²	57	31.5 Å²	31.5	40%	0.399	16%	0.161	S	C	.	.	H	α-helix	trans	-58.3	-44	174.4	-168.4	0	0	0	0	111.8	H463 R511 S512 F519	H463-S515 VanDerWaalsContact NE2-C 3.32Å; H463-S515 PolarHBondContact NE2-O 3.11Å; H463-S515 PolarHBondContact NE2-OG 3.12Å; R511-S515 WeakPolarHBondContact O-CB 3.46Å; R511-S515 PolarHBondContact O-N 3.29Å; S512-S515 PolarHBondContact O-N 3.13Å; S515-F519 WeakPolarHBondContact O-CB 3.45Å; S515-F519 PolarHBondContact O-N 3.31Å
516	A	93.1	Very high	90.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-51	178	0	0	0	0	0	112.6	H463 N465 V466 S512 L513 V514 S518 F519 M520 I549	H463-A516 VanDerWaalsContact CE1-CA 3.41Å; H463-A516 WeakPolarHBondContact CE1-CA 3.3Å; H463-A516 PolarHBondContact CE1-N 3.02Å; H463-A516 VanDerWaalsContact CE1-N 3.27Å; N465-A516 HydrophobicContact CB-CB 4.06Å; V466-A516 HydrophobicContact CG2-CB 4.31Å; S512-A516 PolarHBondContact O-N 3.09Å; S512-A516 VanDerWaalsContact O-N 3.08Å; L513-A516 PolarHBondContact O-N 2.84Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 2.84Å; A516-S518 VanDerWaalsContact C-N 3.32Å; A516-S518 PolarHBondContact O-N 3.41Å; A516-F519 PolarHBondContact O-N 2.94Å; A516-M520 HydrophobicContact CB-CE 4.27Å; A516-M520 VanDerWaalsContact O-CG 3.27Å; A516-M520 WeakPolarHBondContact O-CG 3.28Å; A516-M520 PolarHBondContact O-N 3.06Å; A516-I549 HydrophobicContact CB-CD1 3.74Å
517	V	91.3	Very high	89.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-39.5	-179	173.9	0	0	0	0	111.3	L513 V514 M520 H521 L531 D591 L592 L595	L513-V517 WeakPolarHBondContact O-CG2 3.32Å; L513-V517 PolarHBondContact O-N 3.37Å; V514-V517 PolarHBondContact O-N 3.32Å; V517-M520 WeakPolarHBondContact O-CB 3.46Å; V517-M520 PolarHBondContact O-N 3.45Å; V517-H521 WeakPolarHBondContact CG1-CE1 3.49Å; V517-H521 PolarHBondContact O-CD2 3.17Å; V517-H521 VanDerWaalsContact O-CG 3.23Å; V517-H521 PolarHBondContact O-N 2.89Å; V517-L531 HydrophobicContact CG1-CD1 4.47Å; V517-L531 HydrophobicContact CG2-CD1 3.46Å; V517-L531 VanDerWaalsContact CG2-CD1 3.46Å; V517-L531 HydrophobicContact CG2-CD2 4.17Å; V517-L531 HydrophobicContact CG2-CG 4.47Å; V517-D591 HydrophobicContact CG1-CB 3.93Å; V517-L592 HydrophobicContact CG1-CD2 4.23Å; V517-L595 HydrophobicContact CB-CD1 4.29Å; V517-L595 HydrophobicContact CG1-CD1 4.41Å; V517-L595 HydrophobicContact CG2-CD1 4.19Å; V517-L595 HydrophobicContact CG2-CD2 4.31Å; V517-L595 HydrophobicContact CG2-CG 4.49Å
518	S	91.5	Very high	89.3	Confident	4 Å²	4	29.8 Å²	29.8	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-47.7	173.4	172.1	0	0	0	0	112.2	V514 A516 M520 H521 E522 R669	V514-S518 WeakPolarHBondContact O-CB 3.31Å; V514-S518 PolarHBondContact O-N 3.05Å; A516-S518 VanDerWaalsContact C-N 3.32Å; A516-S518 PolarHBondContact O-N 3.41Å; S518-M520 VanDerWaalsContact C-N 3.31Å; S518-M520 PolarHBondContact O-N 3.02Å; S518-H521 PolarHBondContact O-N 3.4Å; S518-E522 WeakPolarHBondContact CB-OE1 3.5Å; S518-E522 WeakPolarHBondContact O-CB 3.42Å; S518-E522 PolarHBondContact O-N 3.1Å; S518-E522 PolarHBondContact OG-OE1 3.31Å; S518-R669 PolarHBondContact OG-NE 3.05Å; S518-R669 PolarHBondContact OG-NH2 2.84Å
519	F	92.7	Very high	88.4	Confident	48 Å²	48	26.1 Å²	26.1	21%	0.211	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-39	173.6	-178.2	-95.4	0	0	0	112.4	L459 S462 H463 S515 A516 E523 A524	L459-F519 WeakPolarHBondContact O-CE1 3.49Å; S462-F519 VanDerWaalsContact OG-CZ 3.28Å; S462-F519 WeakPolarHBondContact OG-CZ 3.24Å; H463-F519 HydrophobicContact CB-CB 4.49Å; H463-F519 HydrophobicContact CB-CD1 3.72Å; H463-F519 HydrophobicContact CB-CE1 4.2Å; H463-F519 HydrophobicContact CB-CG 4.11Å; H463-F519 AromaticContact CD2-CG 3.84Å; S515-F519 WeakPolarHBondContact O-CB 3.45Å; S515-F519 PolarHBondContact O-N 3.31Å; A516-F519 PolarHBondContact O-N 2.94Å; F519-E523 HydrophobicContact CD2-CB 3.69Å; F519-E523 HydrophobicContact CD2-CG 3.69Å; F519-E523 HydrophobicContact CE2-CB 3.55Å; F519-E523 HydrophobicContact CE2-CG 3.83Å; F519-E523 HydrophobicContact CG-CB 4.37Å; F519-E523 HydrophobicContact CZ-CB 4.13Å; F519-E523 PolarHBondContact O-N 2.88Å; F519-A524 HydrophobicContact CE1-CB 4.3Å; F519-A524 PolarHBondContact O-N 3.08Å
520	M	90.1	Very high	87.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-49.9	173.7	-67	176.9	-157.5	0	0	111.2	C460 V466 A516 V517 S518 A524 G525 V526 H528 I549 F552	C460-M520 HydrophobicContact CB-CG 4.47Å; V466-M520 HydrophobicContact CG2-CE 3.65Å; A516-M520 HydrophobicContact CB-CE 4.27Å; A516-M520 VanDerWaalsContact O-CG 3.27Å; A516-M520 WeakPolarHBondContact O-CG 3.28Å; A516-M520 PolarHBondContact O-N 3.06Å; V517-M520 WeakPolarHBondContact O-CB 3.46Å; V517-M520 PolarHBondContact O-N 3.45Å; S518-M520 VanDerWaalsContact C-N 3.31Å; S518-M520 PolarHBondContact O-N 3.02Å; M520-A524 CarbonylContact O-C 3.51Å; M520-G525 PolarHBondContact O-N 2.79Å; M520-V526 CarbonylContact C-O 3.41Å; M520-V526 HydrophobicContact CB-CB 4.33Å; M520-V526 WeakPolarHBondContact CB-O 3.28Å; M520-V526 PolarHBondContact O-N 3.22Å; M520-V526 VanDerWaalsContact O-O 3.05Å; M520-H528 HydrophobicContact SD-CB 3.87Å; M520-I549 HydrophobicContact CE-CB 4.48Å; M520-I549 HydrophobicContact CE-CD1 3.63Å; M520-I549 HydrophobicContact CE-CG2 4.45Å; M520-F552 HydrophobicContact CE-CE1 3.9Å; M520-F552 HydrophobicContact CE-CZ 3.6Å; M520-F552 HydrophobicContact SD-CE1 3.99Å; M520-F552 HydrophobicContact SD-CZ 4.31Å
521	H	87.9	Confident	86.7	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-73.8	-42.9	-172.7	-66.8	-178.2	0	0	0	113.6	V517 S518 V526 E588 D591 L665	V517-H521 WeakPolarHBondContact CG1-CE1 3.49Å; V517-H521 PolarHBondContact O-CD2 3.17Å; V517-H521 VanDerWaalsContact O-CG 3.23Å; V517-H521 PolarHBondContact O-N 2.89Å; S518-H521 PolarHBondContact O-N 3.4Å; H521-V526 PolarHBondContact CD2-O 2.72Å; H521-E588 PolarHBondContact CE1-O 3.09Å; H521-E588 VanDerWaalsContact CE1-O 3.28Å; H521-D591 IonicContact CD2-OD2 3.17Å; H521-D591 IonicContact CE1-OD2 3.05Å; H521-D591 IonicContact NE2-OD2 3.26Å; H521-D591 PolarHBondContact NE2-OD2 2.87Å; H521-L665 HydrophobicContact CB-CD1 3.95Å; H521-L665 WeakPolarHBondContact ND1-CD1 3.29Å
522	E	88.2	Confident	85.9	Confident	79 Å²	79	23 Å²	23	37%	0.369	13%	0.125	S	C	.	.	H	α-helix	trans	-88.6	-53.7	-170.9	-66.2	164	-125.5	0	0	112	S518 R669	S518-E522 WeakPolarHBondContact CB-OE1 3.5Å; S518-E522 WeakPolarHBondContact O-CB 3.42Å; S518-E522 PolarHBondContact O-N 3.1Å; S518-E522 PolarHBondContact OG-OE1 3.31Å; E522-R669 VanDerWaalsContact CD-NH2 3.31Å; E522-R669 IonicContact OE1-CZ 2.96Å; E522-R669 VanDerWaalsContact OE1-CZ 3.28Å; E522-R669 IonicContact OE1-NH1 2.72Å; E522-R669 PolarHBondContact OE1-NH1 3.28Å; E522-R669 IonicContact OE1-NH2 2.75Å; E522-R669 PolarHBondContact OE1-NH2 3.21Å; E522-R669 IonicContact OE2-CZ 3.72Å; E522-R669 IonicContact OE2-NH1 3.74Å; E522-R669 PolarHBondContact OE2-NH1 3.18Å; E522-R669 IonicContact OE2-NH2 2.71Å; E522-R669 PolarHBondContact OE2-NH2 2.96Å
523	E	86.9	Confident	84.9	Confident	147 Å²	147	21.5 Å²	21.5	69%	0.687	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-48.3	-172.1	-60	-64.6	152.5	0	0	112.4	F519	F519-E523 HydrophobicContact CD2-CB 3.69Å; F519-E523 HydrophobicContact CD2-CG 3.69Å; F519-E523 HydrophobicContact CE2-CB 3.55Å; F519-E523 HydrophobicContact CE2-CG 3.83Å; F519-E523 HydrophobicContact CG-CB 4.37Å; F519-E523 HydrophobicContact CZ-CB 4.13Å; F519-E523 PolarHBondContact O-N 2.88Å
524	A	85	Confident	83.9	Confident	15 Å²	15	24.7 Å²	24.7	12%	0.124	13%	0.13	C	C	.	.	S	Bend	trans	-83.2	-17.6	-176.2	0	0	0	0	0	113.7	L459 F519 M520 V526	L459-A524 HydrophobicContact CB-CB 4Å; F519-A524 HydrophobicContact CE1-CB 4.3Å; F519-A524 PolarHBondContact O-N 3.08Å; M520-A524 CarbonylContact O-C 3.51Å; A524-V526 VanDerWaalsContact C-N 3.25Å; A524-V526 HydrophobicContact CB-CB 4.41Å; A524-V526 HydrophobicContact CB-CG2 4.12Å; A524-V526 PolarHBondContact O-N 2.86Å
525	G	84.3	Confident	83.4	Confident	19 Å²	19	24.8 Å²	24.8	20%	0.196	13%	0.13	C	C	.	.			trans	61.2	30.8	-174.6	0	0	0	0	0	113.9	M520 L557 R558	M520-G525 PolarHBondContact O-N 2.79Å; G525-L557 CarbonylContact O-C 3.56Å; G525-L557 WeakPolarHBondContact O-CA 3.41Å; G525-R558 WeakPolarHBondContact O-CB 3.45Å; G525-R558 PolarHBondContact O-N 3.14Å
526	V	83.8	Confident	83	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.5	-179.4	171.5	0	0	0	0	109.7	A456 L459 M520 H521 A524 A555 R556 L557	A456-V526 HydrophobicContact CB-CG1 4.09Å; A456-V526 HydrophobicContact CB-CG2 4.23Å; L459-V526 HydrophobicContact CB-CG2 4.4Å; L459-V526 HydrophobicContact CD1-CG2 4.25Å; M520-V526 CarbonylContact C-O 3.41Å; M520-V526 HydrophobicContact CB-CB 4.33Å; M520-V526 WeakPolarHBondContact CB-O 3.28Å; M520-V526 PolarHBondContact O-N 3.22Å; M520-V526 VanDerWaalsContact O-O 3.05Å; H521-V526 PolarHBondContact CD2-O 2.72Å; A524-V526 VanDerWaalsContact C-N 3.25Å; A524-V526 HydrophobicContact CB-CB 4.41Å; A524-V526 HydrophobicContact CB-CG2 4.12Å; A524-V526 PolarHBondContact O-N 2.86Å; V526-A555 HydrophobicContact CG1-CB 4.06Å; V526-R556 WeakPolarHBondContact CA-O 3.25Å; V526-L557 HydrophobicContact CG2-CD2 3.86Å
527	V	80.3	Confident	82.8	Confident	13 Å²	13	23.6 Å²	23.6	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129	165.8	-168.5	0	0	0	0	108.3	R529 A555 R556 E588 D591	V527-R529 HydrophobicContact CB-CG 4.27Å; V527-R529 HydrophobicContact CG1-CG 3.92Å; V527-A555 CarbonylContact O-C 3.54Å; V527-A555 VanDerWaalsContact O-CA 3.23Å; V527-A555 WeakPolarHBondContact O-CA 3.24Å; V527-R556 PolarHBondContact N-O 3.4Å; V527-R556 PolarHBondContact O-N 2.64Å; V527-E588 HydrophobicContact CG2-CB 4.43Å; V527-D591 VanDerWaalsContact CG1-OD2 3.28Å; V527-D591 WeakPolarHBondContact CG1-OD2 3.42Å
528	H	82.4	Confident	82.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.			trans	-79.1	-46.6	-163.6	-169.9	-89.4	0	0	0	113.6	M520 D530 L531 I549 D551 F552 A555 D591	M520-H528 HydrophobicContact SD-CB 3.87Å; H528-D530 PolarHBondContact CE1-O 3.03Å; H528-D530 PolarHBondContact ND1-O 2.72Å; H528-D530 PolarHBondContact O-N 3.15Å; H528-L531 HydrophobicContact CB-CD1 4.39Å; H528-L531 HydrophobicContact CB-CD2 4.03Å; H528-L531 HydrophobicContact CB-CG 3.91Å; H528-L531 WeakPolarHBondContact ND1-CD2 3.18Å; H528-L531 PolarHBondContact ND1-N 3.39Å; H528-I549 VanDerWaalsContact NE2-CG2 3.29Å; H528-I549 WeakPolarHBondContact NE2-CG2 3.44Å; H528-D551 PolarHBondContact CE1-O 3.23Å; H528-D551 PolarHBondContact NE2-O 2.71Å; H528-F552 AromaticContact CD2-CD1 3.66Å; H528-F552 AromaticContact CD2-CE1 3.55Å; H528-F552 AromaticContact CD2-CZ 3.83Å; H528-F552 AromaticContact NE2-CD1 3.93Å; H528-F552 AromaticContact NE2-CD2 3.78Å; H528-F552 AromaticContact NE2-CE2 3.84Å; H528-F552 AromaticContact NE2-CG 3.83Å; H528-F552 AromaticContact NE2-CZ 3.96Å; H528-A555 WeakPolarHBondContact O-CA 3.4Å; H528-A555 PolarHBondContact O-N 3.34Å; H528-D591 PolarHBondContact N-OD2 3.4Å
529	R	71.2	Confident	82.6	Confident	13 Å²	13	24.8 Å²	24.8	5%	0.049	13%	0.127	C	C	.	.	S	Bend	trans	68.8	0.8	167	-55.8	162.4	49.4	116.3	-0.5	116.4	V527 F554 T568 C570 F571 D591	V527-R529 HydrophobicContact CB-CG 4.27Å; V527-R529 HydrophobicContact CG1-CG 3.92Å; R529-F554 HydrophobicContact CB-CB 4.31Å; R529-F554 WeakPolarHBondContact CD-O 3.31Å; R529-F554 PolarHBondContact NE-O 3.04Å; R529-T568 PolarHBondContact NH2-O 3.16Å; R529-C570 PolarHBondContact NE-O 3.49Å; R529-C570 PolarHBondContact NH2-O 2.83Å; R529-F571 HydrophobicContact CB-CD1 3.51Å; R529-F571 HydrophobicContact CB-CE1 3.69Å; R529-F571 HydrophobicContact CB-CG 4.33Å; R529-F571 HydrophobicContact CG-CD1 3.98Å; R529-F571 HydrophobicContact CG-CE1 3.58Å; R529-F571 HydrophobicContact CG-CZ 4.3Å; R529-F571 VanDerWaalsContact CZ-CZ 3.42Å; R529-F571 VanDerWaalsContact NH2-CE2 3.32Å; R529-F571 WeakPolarHBondContact O-CA 3.32Å; R529-F571 WeakPolarHBondContact O-CD1 3.29Å; R529-D591 PolarHBondContact N-OD1 3.05Å
530	D	71.6	Confident	82.4	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.131	C	C	.	.			trans	-146.9	54.7	167.5	-173.3	1	0	0	0	110.7	H528 K532 N535 F554 T572	H528-D530 PolarHBondContact CE1-O 3.03Å; H528-D530 PolarHBondContact ND1-O 2.72Å; H528-D530 PolarHBondContact O-N 3.15Å; D530-K532 PolarHBondContact O-N 3Å; D530-K532 WeakPolarHBondContact OD1-CD 3.3Å; D530-K532 WeakPolarHBondContact OD1-CE 3.32Å; D530-K532 WeakPolarHBondContact OD1-CG 3.23Å; D530-K532 IonicContact OD1-NZ 3.31Å; D530-K532 PolarHBondContact OD1-NZ 2.86Å; D530-K532 IonicContact OD2-NZ 3.06Å; D530-K532 PolarHBondContact OD2-NZ 3.18Å; D530-K532 VanDerWaalsContact OD2-NZ 3.13Å; D530-N535 PolarHBondContact O-ND2 2.97Å; D530-N535 PolarHBondContact OD1-ND2 3.05Å; D530-N535 PolarHBondContact OD2-ND2 2.57Å; D530-F554 HydrophobicContact CB-CB 4.07Å; D530-F554 HydrophobicContact CB-CD2 3.71Å; D530-F554 HydrophobicContact CB-CG 4.25Å; D530-F554 WeakPolarHBondContact OD2-CD2 3.41Å; D530-T572 WeakPolarHBondContact OD1-CB 3.41Å; D530-T572 PolarHBondContact OD1-OG1 3.22Å; D530-T572 VanDerWaalsContact OD2-CB 3.24Å; D530-T572 WeakPolarHBondContact OD2-CB 3.36Å; D530-T572 PolarHBondContact OD2-OG1 3.35Å
531	L	77.3	Confident	82.1	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.157	C	C	.	.			trans	-79.3	116.6	170.3	-70	172.1	0	0	0	108.9	V517 H528 I549 Y575 D591	V517-L531 HydrophobicContact CG1-CD1 4.47Å; V517-L531 HydrophobicContact CG2-CD1 3.46Å; V517-L531 VanDerWaalsContact CG2-CD1 3.46Å; V517-L531 HydrophobicContact CG2-CD2 4.17Å; V517-L531 HydrophobicContact CG2-CG 4.47Å; H528-L531 HydrophobicContact CB-CD1 4.39Å; H528-L531 HydrophobicContact CB-CD2 4.03Å; H528-L531 HydrophobicContact CB-CG 3.91Å; H528-L531 WeakPolarHBondContact ND1-CD2 3.18Å; H528-L531 PolarHBondContact ND1-N 3.39Å; L531-I549 HydrophobicContact CD2-CD1 3.75Å; L531-I549 HydrophobicContact CD2-CG1 4.27Å; L531-I549 HydrophobicContact CD2-CG2 4.1Å; L531-Y575 VanDerWaalsContact O-CB 3.26Å; L531-Y575 WeakPolarHBondContact O-CB 3.45Å; L531-Y575 WeakPolarHBondContact O-CD2 3.35Å; L531-D591 HydrophobicContact CD1-CB 3.54Å
532	K	73.6	Confident	82	Confident	31 Å²	31	33.3 Å²	33.3	14%	0.135	18%	0.178	C	C	.	.			trans	-153.9	154.9	-179.7	64.4	-179.9	171.4	-161	0	111.5	D530 E534 N535 I536 T572 Y575	D530-K532 PolarHBondContact O-N 3Å; D530-K532 WeakPolarHBondContact OD1-CD 3.3Å; D530-K532 WeakPolarHBondContact OD1-CE 3.32Å; D530-K532 WeakPolarHBondContact OD1-CG 3.23Å; D530-K532 IonicContact OD1-NZ 3.31Å; D530-K532 PolarHBondContact OD1-NZ 2.86Å; D530-K532 IonicContact OD2-NZ 3.06Å; D530-K532 PolarHBondContact OD2-NZ 3.18Å; D530-K532 VanDerWaalsContact OD2-NZ 3.13Å; K532-E534 WeakPolarHBondContact CB-OE2 3.43Å; K532-E534 HydrophobicContact CD-CB 4.17Å; K532-E534 HydrophobicContact CG-CB 4.27Å; K532-E534 WeakPolarHBondContact CG-OE2 3.4Å; K532-E534 PolarHBondContact O-N 3.02Å; K532-N535 VanDerWaalsContact CE-ND2 3.26Å; K532-N535 WeakPolarHBondContact CE-ND2 3.42Å; K532-N535 WeakPolarHBondContact CE-OD1 3.28Å; K532-N535 HydrophobicContact CG-CB 3.71Å; K532-N535 CarbonylContact O-C 3.57Å; K532-N535 WeakPolarHBondContact O-CA 3.37Å; K532-N535 WeakPolarHBondContact O-CB 3.32Å; K532-N535 PolarHBondContact O-N 3.36Å; K532-I536 WeakPolarHBondContact O-CD1 3.28Å; K532-I536 WeakPolarHBondContact O-CG1 3.07Å; K532-I536 PolarHBondContact O-N 2.73Å; K532-T572 HydrophobicContact CD-CG2 4.12Å; K532-Y575 HydrophobicContact CB-CD2 3.36Å; K532-Y575 HydrophobicContact CB-CE2 3.23Å; K532-Y575 HydrophobicContact CB-CG 4.42Å
533	P	71.4	Confident	81.5	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.019	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-55.9	-33.3	176.5	-27.3	36	0	0	0	114.2	L491 L492 N535 I536 Y575 I598 M601	L491-P533 HydrophobicContact CD2-CB 4.49Å; L492-P533 HydrophobicContact CD1-CB 3.62Å; L492-P533 HydrophobicContact CD1-CG 3.83Å; L492-P533 HydrophobicContact CG-CB 3.9Å; L492-P533 HydrophobicContact CG-CG 4.34Å; P533-N535 PolarHBondContact O-N 2.91Å; P533-I536 PolarHBondContact O-N 2.91Å; P533-Y575 WeakPolarHBondContact CD-OH 3.19Å; P533-Y575 WeakPolarHBondContact CG-OH 3.12Å; P533-I598 HydrophobicContact CG-CG1 4.28Å; P533-M601 HydrophobicContact CG-SD 4.39Å
534	E	73	Confident	81	Confident	66 Å²	66	32.7 Å²	32.7	31%	0.308	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-69.5	-16.9	175.1	-50.5	97	128.7	0	0	112.6	K532 Q574	K532-E534 WeakPolarHBondContact CB-OE2 3.43Å; K532-E534 HydrophobicContact CD-CB 4.17Å; K532-E534 HydrophobicContact CG-CB 4.27Å; K532-E534 WeakPolarHBondContact CG-OE2 3.4Å; K532-E534 PolarHBondContact O-N 3.02Å; E534-Q574 VanDerWaalsContact CD-NE2 3.29Å; E534-Q574 PolarHBondContact OE1-NE2 2.89Å; E534-Q574 PolarHBondContact OE2-NE2 3.21Å; E534-Q574 VanDerWaalsContact OE2-NE2 3.11Å
535	N	81.9	Confident	81.1	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.043	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-101.4	8.4	171.2	-74.9	-0.9	0	0	0	112.1	D530 K532 P533 I549 I550	D530-N535 PolarHBondContact O-ND2 2.97Å; D530-N535 PolarHBondContact OD1-ND2 3.05Å; D530-N535 PolarHBondContact OD2-ND2 2.57Å; K532-N535 VanDerWaalsContact CE-ND2 3.26Å; K532-N535 WeakPolarHBondContact CE-ND2 3.42Å; K532-N535 WeakPolarHBondContact CE-OD1 3.28Å; K532-N535 HydrophobicContact CG-CB 3.71Å; K532-N535 CarbonylContact O-C 3.57Å; K532-N535 WeakPolarHBondContact O-CA 3.37Å; K532-N535 WeakPolarHBondContact O-CB 3.32Å; K532-N535 PolarHBondContact O-N 3.36Å; P533-N535 PolarHBondContact O-N 2.91Å; N535-I549 CarbonylContact O-C 3.57Å; N535-I549 WeakPolarHBondContact O-CA 3.3Å; N535-I550 HydrophobicContact CB-CG1 4.32Å; N535-I550 WeakPolarHBondContact O-CG1 3.27Å; N535-I550 PolarHBondContact O-N 2.76Å
536	I	86.6	Confident	81.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.1	-179.6	-62.6	161.4	0	0	0	109	L491 L513 K532 P533 V547 K548 I549 I598	L491-I536 HydrophobicContact CB-CB 4.32Å; L491-I536 HydrophobicContact CB-CG2 4.12Å; L491-I536 WeakPolarHBondContact CB-O 3.38Å; L491-I536 HydrophobicContact CD2-CB 4.43Å; L491-I536 HydrophobicContact CD2-CD1 4.47Å; L491-I536 HydrophobicContact CD2-CG2 4.11Å; L491-I536 PolarHBondContact N-O 3.31Å; L513-I536 HydrophobicContact CD1-CD1 3.95Å; L513-I536 HydrophobicContact CD2-CD1 3.8Å; L513-I536 HydrophobicContact CD2-CG1 4.05Å; L513-I536 HydrophobicContact CD2-CG2 4.06Å; K532-I536 WeakPolarHBondContact O-CD1 3.28Å; K532-I536 WeakPolarHBondContact O-CG1 3.07Å; K532-I536 PolarHBondContact O-N 2.73Å; P533-I536 PolarHBondContact O-N 2.91Å; I536-V547 HydrophobicContact CG2-CB 3.94Å; I536-V547 HydrophobicContact CG2-CG1 4.35Å; I536-K548 WeakPolarHBondContact CA-O 3.45Å; I536-I549 HydrophobicContact CG1-CG1 4.3Å; I536-I598 HydrophobicContact CD1-CD1 3.67Å
537	L	87.3	Confident	81.7	Confident	31 Å²	31	34.4 Å²	34.4	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.1	-178.8	-83.5	62.3	0	0	0	110.5	L486 G489 E490 V547 K548 I550	L486-L537 HydrophobicContact CB-CB 4.22Å; L486-L537 HydrophobicContact CB-CD2 4.24Å; L486-L537 HydrophobicContact CD1-CB 3.77Å; L486-L537 HydrophobicContact CD1-CD2 4.44Å; G489-L537 CarbonylContact O-C 3.48Å; G489-L537 VanDerWaalsContact O-CA 3.26Å; G489-L537 WeakPolarHBondContact O-CA 3.49Å; E490-L537 HydrophobicContact CG-CD1 4.37Å; L537-V547 CarbonylContact O-C 3.5Å; L537-V547 WeakPolarHBondContact O-CA 3.27Å; L537-K548 PolarHBondContact N-O 2.78Å; L537-K548 PolarHBondContact O-N 3.33Å; L537-I550 HydrophobicContact CB-CG2 4.34Å; L537-I550 HydrophobicContact CD1-CD1 3.68Å; L537-I550 HydrophobicContact CD1-CG1 4.09Å; L537-I550 HydrophobicContact CD1-CG2 4.35Å; L537-I550 HydrophobicContact CD2-CD1 4.24Å
538	Y	89.8	Confident	82.4	Confident	11 Å²	11	34.4 Å²	34.4	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.2	165.8	-76.4	-88.4	0	0	0	110.6	G488 G489 L491 H494 I509 D540 A545 V547	G488-Y538 WeakPolarHBondContact CA-O 3.39Å; G488-Y538 PolarHBondContact N-O 2.88Å; G489-Y538 PolarHBondContact O-N 2.86Å; L491-Y538 HydrophobicContact CD1-CE2 3.86Å; H494-Y538 HydrophobicContact CB-CD2 3.56Å; H494-Y538 HydrophobicContact CB-CE2 3.54Å; H494-Y538 AromaticContact CD2-CE2 3.89Å; H494-Y538 AromaticContact CG-CD2 3.51Å; H494-Y538 AromaticContact CG-CE2 3.57Å; H494-Y538 AromaticContact ND1-CD2 3.58Å; H494-Y538 AromaticContact ND1-CG 3.83Å; I509-Y538 WeakPolarHBondContact CD1-OH 3.32Å; Y538-D540 VanDerWaalsContact C-N 3.29Å; Y538-D540 PolarHBondContact O-N 3.09Å; Y538-A545 HydrophobicContact CD1-CB 4.34Å; Y538-A545 WeakPolarHBondContact CD1-O 3.36Å; Y538-V547 HydrophobicContact CD1-CG1 3.81Å; Y538-V547 HydrophobicContact CD2-CG1 4.37Å; Y538-V547 HydrophobicContact CE1-CG1 3.55Å; Y538-V547 HydrophobicContact CE2-CG1 4.14Å; Y538-V547 HydrophobicContact CG-CG1 4.22Å
539	A	88.5	Confident	82.8	Confident	18 Å²	18	34.4 Å²	34.4	15%	0.149	21%	0.213	C	C	.	.	S	Bend	trans	-57.7	-40.9	178.6	0	0	0	0	0	112.9	L486 R487 P546	L486-A539 HydrophobicContact CD2-CB 4.43Å; R487-A539 PolarHBondContact N-O 3.03Å; A539-P546 HydrophobicContact CB-CG 3.99Å; A539-P546 PolarHBondContact N-O 3.32Å
540	D	89.1	Confident	83.5	Confident	57 Å²	57	36 Å²	36	31%	0.305	22%	0.221	S	C	.	.	S	Bend	trans	-156.7	179.8	176.5	56.5	63.8	0	0	0	110.1	G488 Y538 T542 A545	G488-D540 WeakPolarHBondContact CA-O 3.23Å; Y538-D540 VanDerWaalsContact C-N 3.29Å; Y538-D540 PolarHBondContact O-N 3.09Å; D540-T542 VanDerWaalsContact C-N 3.28Å; D540-T542 PolarHBondContact O-N 2.89Å; D540-T542 WeakPolarHBondContact OD1-CA 3.36Å; D540-T542 WeakPolarHBondContact OD1-CB 3.23Å; D540-T542 WeakPolarHBondContact OD1-CG2 3.46Å; D540-T542 PolarHBondContact OD1-N 3.1Å; D540-T542 PolarHBondContact OD1-OG1 3.22Å; D540-A545 WeakPolarHBondContact O-CB 3.29Å; D540-A545 WeakPolarHBondContact OD1-CB 3.23Å
541	D	84	Confident	83.9	Confident	103 Å²	103	37.6 Å²	37.6	55%	0.551	23%	0.23	S	C	*	.	S	Bend	trans	-83.3	10.1	-179.5	-66.8	-66.1	0	0	0	113.9
542	T	85.6	Confident	84.1	Confident	79 Å²	79	37.5 Å²	37.5	49%	0.485	23%	0.23	S	C	.	.	S	Bend	trans	-74.8	148	-177.3	66.1	0	0	0	0	112.9	D540 G544 A545	D540-T542 VanDerWaalsContact C-N 3.28Å; D540-T542 PolarHBondContact O-N 2.89Å; D540-T542 WeakPolarHBondContact OD1-CA 3.36Å; D540-T542 WeakPolarHBondContact OD1-CB 3.23Å; D540-T542 WeakPolarHBondContact OD1-CG2 3.46Å; D540-T542 PolarHBondContact OD1-N 3.1Å; D540-T542 PolarHBondContact OD1-OG1 3.22Å; T542-G544 PolarHBondContact O-N 3.07Å; T542-A545 WeakPolarHBondContact O-CB 3.46Å; T542-A545 PolarHBondContact O-N 3Å
543	P	77.9	Confident	83.8	Confident	141 Å²	141	36.9 Å²	36.9	92%	0.916	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	112.9	176.2	-23	34.4	0	0	0	111.7
544	G	77.1	Confident	83.4	Confident	72 Å²	72	39.9 Å²	39.9	74%	0.742	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.4	9.8	-177.6	0	0	0	0	0	114.9	T542	T542-G544 PolarHBondContact O-N 3.07Å
545	A	85.8	Confident	83.2	Confident	9 Å²	9	36.8 Å²	36.8	7%	0.074	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-51.8	139.4	173.9	0	0	0	0	0	112.1	Y538 D540 T542	Y538-A545 HydrophobicContact CD1-CB 4.34Å; Y538-A545 WeakPolarHBondContact CD1-O 3.36Å; D540-A545 WeakPolarHBondContact O-CB 3.29Å; D540-A545 WeakPolarHBondContact OD1-CB 3.23Å; T542-A545 WeakPolarHBondContact O-CB 3.46Å; T542-A545 PolarHBondContact O-N 3Å
546	P	89.7	Confident	82.5	Confident	58 Å²	58	37.3 Å²	37.3	38%	0.377	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-69.8	140.5	-179.8	27.8	-33.7	0	0	0	111.5	A539	A539-P546 HydrophobicContact CB-CG 3.99Å; A539-P546 PolarHBondContact N-O 3.32Å
547	V	92.8	Very high	81.6	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	145.8	166.9	-66.3	0	0	0	0	110.6	N465 L491 I509 L513 I536 L537 Y538	N465-V547 WeakPolarHBondContact CA-O 3.44Å; N465-V547 WeakPolarHBondContact CB-O 3.39Å; N465-V547 PolarHBondContact ND2-O 2.97Å; L491-V547 HydrophobicContact CD1-CG1 4.44Å; I509-V547 HydrophobicContact CG1-CG1 4.48Å; I509-V547 HydrophobicContact CG2-CG1 4.16Å; I509-V547 HydrophobicContact CG2-CG2 4.21Å; L513-V547 HydrophobicContact CD2-CG2 4.2Å; L513-V547 HydrophobicContact CG-CG2 4.3Å; I536-V547 HydrophobicContact CG2-CB 3.94Å; I536-V547 HydrophobicContact CG2-CG1 4.35Å; L537-V547 CarbonylContact O-C 3.5Å; L537-V547 WeakPolarHBondContact O-CA 3.27Å; Y538-V547 HydrophobicContact CD1-CG1 3.81Å; Y538-V547 HydrophobicContact CD2-CG1 4.37Å; Y538-V547 HydrophobicContact CE1-CG1 3.55Å; Y538-V547 HydrophobicContact CE2-CG1 4.14Å; Y538-V547 HydrophobicContact CG-CG1 4.22Å
548	K	93.8	Very high	80.5	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	179.1	-69.4	-171.3	168.2	-123.9	0	112.7	P464 N465 V466 N468 E484 L486 I536 L537	P464-K548 WeakPolarHBondContact O-CE 3.46Å; P464-K548 PolarHBondContact O-NZ 3.27Å; N465-K548 WeakPolarHBondContact O-CA 3.47Å; V466-K548 WeakPolarHBondContact O-CD 3.4Å; V466-K548 PolarHBondContact O-NZ 3.32Å; N468-K548 PolarHBondContact ND2-NZ 3.06Å; E484-K548 WeakPolarHBondContact OE1-CD 3.41Å; E484-K548 VanDerWaalsContact OE1-CE 3.31Å; E484-K548 WeakPolarHBondContact OE1-CE 3.22Å; E484-K548 IonicContact OE1-NZ 3.71Å; E484-K548 PolarHBondContact OE1-NZ 3.4Å; E484-K548 IonicContact OE2-NZ 3.15Å; E484-K548 PolarHBondContact OE2-NZ 2.8Å; L486-K548 HydrophobicContact CD1-CB 3.87Å; L486-K548 HydrophobicContact CD1-CD 4.42Å; L486-K548 HydrophobicContact CD2-CD 3.73Å; I536-K548 WeakPolarHBondContact CA-O 3.45Å; L537-K548 PolarHBondContact N-O 2.78Å; L537-K548 PolarHBondContact O-N 3.33Å
549	I	92	Very high	78.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.3	176.8	-61.2	162	0	0	0	110	N465 V467 L513 A516 M520 H528 L531 N535 I536 F552	N465-I549 PolarHBondContact O-N 2.87Å; V467-I549 WeakPolarHBondContact CB-O 3.5Å; V467-I549 WeakPolarHBondContact CG1-O 3.46Å; V467-I549 PolarHBondContact N-O 2.94Å; L513-I549 HydrophobicContact CD2-CD1 4.2Å; L513-I549 HydrophobicContact CD2-CG1 4.04Å; A516-I549 HydrophobicContact CB-CD1 3.74Å; M520-I549 HydrophobicContact CE-CB 4.48Å; M520-I549 HydrophobicContact CE-CD1 3.63Å; M520-I549 HydrophobicContact CE-CG2 4.45Å; H528-I549 VanDerWaalsContact NE2-CG2 3.29Å; H528-I549 WeakPolarHBondContact NE2-CG2 3.44Å; L531-I549 HydrophobicContact CD2-CD1 3.75Å; L531-I549 HydrophobicContact CD2-CG1 4.27Å; L531-I549 HydrophobicContact CD2-CG2 4.1Å; N535-I549 CarbonylContact O-C 3.57Å; N535-I549 WeakPolarHBondContact O-CA 3.3Å; I536-I549 HydrophobicContact CG1-CG1 4.3Å; I549-F552 HydrophobicContact CG2-CE2 4.1Å; I549-F552 HydrophobicContact CG2-CZ 4.37Å
550	I	83.9	Confident	76.7	Confident	45 Å²	45	57.9 Å²	57.9	23%	0.231	33%	0.326	C	S	.	.			trans	-115	-14.9	-164.2	68.2	152.2	0	0	0	118.6	V467 L486 N535 L537	V467-I550 HydrophobicContact CB-CG2 4.27Å; V467-I550 HydrophobicContact CG2-CG2 4.49Å; L486-I550 HydrophobicContact CD1-CG2 3.48Å; L486-I550 VanDerWaalsContact CD1-CG2 3.48Å; N535-I550 HydrophobicContact CB-CG1 4.32Å; N535-I550 WeakPolarHBondContact O-CG1 3.27Å; N535-I550 PolarHBondContact O-N 2.76Å; L537-I550 HydrophobicContact CB-CG2 4.34Å; L537-I550 HydrophobicContact CD1-CD1 3.68Å; L537-I550 HydrophobicContact CD1-CG1 4.09Å; L537-I550 HydrophobicContact CD1-CG2 4.35Å; L537-I550 HydrophobicContact CD2-CD1 4.24Å
551	D	81.2	Confident	74.5	Confident	37 Å²	37	58.4 Å²	58.4	20%	0.198	33%	0.334	C	S	.	.			trans	-132.9	105.2	-174.4	-164.5	-25.1	0	0	0	113.7	K440 H528 G553	K440-D551 IonicContact NZ-OD1 3.43Å; K440-D551 PolarHBondContact NZ-OD1 3.13Å; K440-D551 IonicContact NZ-OD2 2.76Å; K440-D551 PolarHBondContact NZ-OD2 3Å; H528-D551 PolarHBondContact CE1-O 3.23Å; H528-D551 PolarHBondContact NE2-O 2.71Å; D551-G553 PolarHBondContact OD1-N 3.09Å
552	F	81.9	Confident	72.4	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	35%	0.349	C	S	.	.			trans	-98.7	12.2	-178.5	-72.1	-109.7	0	0	0	113.1	E453 A456 L457 C460 V466 M520 H528 I549 F554 A555	E453-F552 HydrophobicContact CG-CB 4.21Å; A456-F552 HydrophobicContact CB-CB 4.34Å; A456-F552 HydrophobicContact CB-CD1 3.95Å; L457-F552 HydrophobicContact CD2-CB 4.43Å; L457-F552 HydrophobicContact CD2-CD2 3.4Å; L457-F552 VanDerWaalsContact CD2-CD2 3.4Å; L457-F552 HydrophobicContact CD2-CE2 3.77Å; L457-F552 HydrophobicContact CD2-CG 3.97Å; L457-F552 HydrophobicContact CG-CB 4.14Å; L457-F552 HydrophobicContact CG-CD2 4.05Å; L457-F552 HydrophobicContact CG-CG 4.12Å; C460-F552 HydrophobicContact CB-CE1 3.81Å; C460-F552 HydrophobicContact CB-CZ 4.02Å; V466-F552 HydrophobicContact CG1-CE2 3.83Å; V466-F552 HydrophobicContact CG1-CZ 3.57Å; V466-F552 HydrophobicContact CG2-CZ 4.31Å; M520-F552 HydrophobicContact CE-CE1 3.9Å; M520-F552 HydrophobicContact CE-CZ 3.6Å; M520-F552 HydrophobicContact SD-CE1 3.99Å; M520-F552 HydrophobicContact SD-CZ 4.31Å; H528-F552 AromaticContact CD2-CD1 3.66Å; H528-F552 AromaticContact CD2-CE1 3.55Å; H528-F552 AromaticContact CD2-CZ 3.83Å; H528-F552 AromaticContact NE2-CD1 3.93Å; H528-F552 AromaticContact NE2-CD2 3.78Å; H528-F552 AromaticContact NE2-CE2 3.84Å; H528-F552 AromaticContact NE2-CG 3.83Å; H528-F552 AromaticContact NE2-CZ 3.96Å; I549-F552 HydrophobicContact CG2-CE2 4.1Å; I549-F552 HydrophobicContact CG2-CZ 4.37Å; F552-F554 PolarHBondContact O-N 3.43Å; F552-A555 HydrophobicContact CB-CB 4.1Å; F552-A555 HydrophobicContact CD1-CB 4.06Å; F552-A555 VanDerWaalsContact O-CB 3.28Å; F552-A555 WeakPolarHBondContact O-CB 3.19Å; F552-A555 PolarHBondContact O-N 2.74Å
553	G	65.6	Low	70.5	Confident	18 Å²	18	60.1 Å²	60.1	19%	0.186	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.4	-176.2	0	0	0	0	0	114.8	D551	D551-G553 PolarHBondContact OD1-N 3.09Å
554	F	63.8	Low	68.6	Low	66 Å²	66	57.6 Å²	57.6	29%	0.289	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.6	176.8	-67.8	-72	0	0	0	114.9	R529 D530 F552 C570 T572	R529-F554 HydrophobicContact CB-CB 4.31Å; R529-F554 WeakPolarHBondContact CD-O 3.31Å; R529-F554 PolarHBondContact NE-O 3.04Å; D530-F554 HydrophobicContact CB-CB 4.07Å; D530-F554 HydrophobicContact CB-CD2 3.71Å; D530-F554 HydrophobicContact CB-CG 4.25Å; D530-F554 WeakPolarHBondContact OD2-CD2 3.41Å; F552-F554 PolarHBondContact O-N 3.43Å; F554-C570 VanDerWaalsContact CD1-C 3.41Å; F554-C570 HydrophobicContact CD1-CB 3.69Å; F554-C570 HydrophobicContact CE1-CB 4.17Å; F554-T572 VanDerWaalsContact CE2-OG1 3.29Å; F554-T572 WeakPolarHBondContact CE2-OG1 3.46Å
555	A	68.9	Low	67	Low	1 Å²	1	57 Å²	57	1%	0.008	33%	0.332	C	S	.	.			trans	-65.8	153.7	-172.3	0	0	0	0	0	113.2	A456 V526 V527 H528 F552	A456-A555 HydrophobicContact CB-CB 3.95Å; V526-A555 HydrophobicContact CG1-CB 4.06Å; V527-A555 CarbonylContact O-C 3.54Å; V527-A555 VanDerWaalsContact O-CA 3.23Å; V527-A555 WeakPolarHBondContact O-CA 3.24Å; H528-A555 WeakPolarHBondContact O-CA 3.4Å; H528-A555 PolarHBondContact O-N 3.34Å; F552-A555 HydrophobicContact CB-CB 4.1Å; F552-A555 HydrophobicContact CD1-CB 4.06Å; F552-A555 VanDerWaalsContact O-CB 3.28Å; F552-A555 WeakPolarHBondContact O-CB 3.19Å; F552-A555 PolarHBondContact O-N 2.74Å
556	R	66.8	Low	64.9	Low	18 Å²	18	58.5 Å²	58.5	7%	0.068	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.7	-179.4	-62.6	-66.3	175.8	-102.2	0.7	112	V526 V527 M566 C570	V526-R556 WeakPolarHBondContact CA-O 3.25Å; V527-R556 PolarHBondContact N-O 3.4Å; V527-R556 PolarHBondContact O-N 2.64Å; R556-M566 HydrophobicContact CB-CE 3.64Å; R556-C570 PolarHBondContact NH2-SG 3.3Å
557	L	68.3	Low	62.6	Low	93 Å²	93	63.4 Å²	63.4	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.3	170.2	-56.4	176.6	0	0	0	110.6	L459 G525 V526 M566	L459-L557 HydrophobicContact CD1-CD2 3.52Å; G525-L557 CarbonylContact O-C 3.56Å; G525-L557 WeakPolarHBondContact O-CA 3.41Å; V526-L557 HydrophobicContact CG2-CD2 3.86Å; L557-M566 WeakPolarHBondContact O-CE 3.46Å
558	R	64.9	Low	59.7	Low	146 Å²	146	67 Å²	67	55%	0.551	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-63.5	137.5	177.5	-168.8	179.3	-170	-175.8	4.8	110.9	G525	G525-R558 WeakPolarHBondContact O-CB 3.45Å; G525-R558 PolarHBondContact O-N 3.14Å
559	P	50.8	Low	56.6	Low	54 Å²	54	70.5 Å²	70.5	35%	0.351	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-65.3	142.8	171.9	-17.9	31.8	0	0	0	111	S561 M566	P559-S561 PolarHBondContact O-N 3.27Å; P559-M566 HydrophobicContact CG-CE 4.42Å; P559-M566 HydrophobicContact CG-CG 3.81Å; P559-M566 HydrophobicContact CG-SD 4.44Å
560	Q	46.3	Very low	53.8	Low	201 Å²	201	72.3 Å²	72.3	94%	0.939	41%	0.414	S	S	*	.	S	Bend	trans	-71.9	9.7	179.2	-66.6	179	-16.3	0	0	114.3
561	S	43.3	Very low	51.6	Low	68 Å²	68	71.9 Å²	71.9	48%	0.476	41%	0.411	S	S	.	.	S	Bend	trans	-126.2	111.7	-177.3	-54.4	0	0	0	0	109.9	P559 G563 V564	P559-S561 PolarHBondContact O-N 3.27Å; S561-G563 PolarHBondContact O-N 2.9Å; S561-V564 PolarHBondContact O-N 3.04Å
562	P	40.6	Very low	49.2	Very low	134 Å²	134	71.1 Å²	71.1	87%	0.87	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	136.1	179.3	26.1	-33.5	0	0	0	110.5
563	G	45	Very low	47	Very low	84 Å²	84	72 Å²	72	87%	0.866	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-0.6	179.4	0	0	0	0	0	116.3	S561 P565	S561-G563 PolarHBondContact O-N 2.9Å; G563-P565 WeakPolarHBondContact O-CD 3.24Å
564	V	37.1	Very low	45.2	Very low	87 Å²	87	72.3 Å²	72.3	53%	0.527	41%	0.409	S	S	.	.			trans	-91.9	110.6	172.6	-177	0	0	0	0	110.3	S561	S561-V564 PolarHBondContact O-N 3.04Å
565	P	44.4	Very low	43.8	Very low	60 Å²	60	69.3 Å²	69.3	39%	0.39	40%	0.396	S	S	.	.			trans	-79	144.8	-170.7	30.8	-36.2	0	0	0	114.4	G563 Q567	G563-P565 WeakPolarHBondContact O-CD 3.24Å; P565-Q567 PolarHBondContact O-N 3.11Å; P565-Q567 VanDerWaalsContact O-N 3.14Å
566	M	42.2	Very low	42.4	Very low	40 Å²	40	69.8 Å²	69.8	20%	0.197	40%	0.399	C	S	.	.			trans	-80.9	93	-172.2	-58.2	-175.3	81.8	0	0	112.9	R556 L557 P559 T568 Y586	R556-M566 HydrophobicContact CB-CE 3.64Å; L557-M566 WeakPolarHBondContact O-CE 3.46Å; P559-M566 HydrophobicContact CG-CE 4.42Å; P559-M566 HydrophobicContact CG-CG 3.81Å; P559-M566 HydrophobicContact CG-SD 4.44Å; M566-T568 VanDerWaalsContact C-N 3.29Å; M566-T568 PolarHBondContact O-N 2.74Å; M566-T568 VanDerWaalsContact O-N 3.14Å; M566-Y586 WeakPolarHBondContact O-CD2 3.46Å
567	Q	40	Very low	41	Very low	161 Å²	161	68.9 Å²	68.9	75%	0.752	40%	0.396	S	S	*	.			trans	-74.7	1	-170.7	-60.1	-165.6	0.3	0	0	116.9	P565 P569	P565-Q567 PolarHBondContact O-N 3.11Å; P565-Q567 VanDerWaalsContact O-N 3.14Å; Q567-P569 WeakPolarHBondContact O-CD 3.5Å
568	T	33.4	Very low	39.6	Very low	78 Å²	78	64.9 Å²	64.9	48%	0.479	38%	0.376	S	S	.	.			trans	-91.8	113.7	-172.7	-41.3	0	0	0	0	113.5	R529 M566 C570	R529-T568 PolarHBondContact NH2-O 3.16Å; M566-T568 VanDerWaalsContact C-N 3.29Å; M566-T568 PolarHBondContact O-N 2.74Å; M566-T568 VanDerWaalsContact O-N 3.14Å; T568-C570 PolarHBondContact O-N 3.23Å
569	P	27.9	Very low	38.8	Very low	88 Å²	88	58.5 Å²	58.5	57%	0.571	35%	0.352	S	S	*	.			trans	-88.9	107.8	-175.5	34	-32.6	0	0	0	112.8	Q567	Q567-P569 WeakPolarHBondContact O-CD 3.5Å
570	C	33.5	Very low	38.4	Very low	39 Å²	39	56.8 Å²	56.8	26%	0.264	34%	0.34	S	S	.	.			trans	-151.4	111.5	166.6	-41.6	0	0	0	0	107.2	R529 F554 R556 T568	R529-C570 PolarHBondContact NE-O 3.49Å; R529-C570 PolarHBondContact NH2-O 2.83Å; F554-C570 VanDerWaalsContact CD1-C 3.41Å; F554-C570 HydrophobicContact CD1-CB 3.69Å; F554-C570 HydrophobicContact CE1-CB 4.17Å; R556-C570 PolarHBondContact NH2-SG 3.3Å; T568-C570 PolarHBondContact O-N 3.23Å
571	F	37	Very low	38.1	Very low	36 Å²	36	49.5 Å²	49.5	16%	0.158	31%	0.307	C	S	.	.			trans	-153.2	150.7	-177.4	-62.5	-103.1	0	0	0	108.7	R529 L580	R529-F571 HydrophobicContact CB-CD1 3.51Å; R529-F571 HydrophobicContact CB-CE1 3.69Å; R529-F571 HydrophobicContact CB-CG 4.33Å; R529-F571 HydrophobicContact CG-CD1 3.98Å; R529-F571 HydrophobicContact CG-CE1 3.58Å; R529-F571 HydrophobicContact CG-CZ 4.3Å; R529-F571 VanDerWaalsContact CZ-CZ 3.42Å; R529-F571 VanDerWaalsContact NH2-CE2 3.32Å; R529-F571 WeakPolarHBondContact O-CA 3.32Å; R529-F571 WeakPolarHBondContact O-CD1 3.29Å; F571-L580 HydrophobicContact CD1-CD1 4.36Å; F571-L580 HydrophobicContact CD2-CD2 4.47Å; F571-L580 HydrophobicContact CE1-CD1 4.14Å; F571-L580 HydrophobicContact CE1-CD2 3.79Å; F571-L580 HydrophobicContact CE2-CD2 3.76Å; F571-L580 HydrophobicContact CZ-CD2 3.38Å
572	T	31.9	Very low	37.8	Very low	21 Å²	21	49.1 Å²	49.1	13%	0.129	31%	0.308	C	S	.	.			trans	-87.8	141.5	157.9	-64.2	0	0	0	0	108.9	D530 K532 F554	D530-T572 WeakPolarHBondContact OD1-CB 3.41Å; D530-T572 PolarHBondContact OD1-OG1 3.22Å; D530-T572 VanDerWaalsContact OD2-CB 3.24Å; D530-T572 WeakPolarHBondContact OD2-CB 3.36Å; D530-T572 PolarHBondContact OD2-OG1 3.35Å; K532-T572 HydrophobicContact CD-CG2 4.12Å; F554-T572 VanDerWaalsContact CE2-OG1 3.29Å; F554-T572 WeakPolarHBondContact CE2-OG1 3.46Å
573	L	34.2	Very low	37.7	Very low	20 Å²	20	49.2 Å²	49.2	11%	0.105	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-96.7	-14.7	-144.7	-129	54	0	0	0	115.9	Y575 F706 F709 N710	L573-Y575 VanDerWaalsContact C-N 3.26Å; L573-Y575 PolarHBondContact O-N 2.93Å; L573-F706 HydrophobicContact CB-CD2 3.99Å; L573-F706 HydrophobicContact CB-CE2 4.48Å; L573-F709 HydrophobicContact CD1-CD1 3.7Å; L573-F709 HydrophobicContact CD1-CE1 3.88Å; L573-F709 HydrophobicContact CD1-CG 4.26Å; L573-F709 HydrophobicContact CD2-CB 3.57Å; L573-F709 HydrophobicContact CD2-CD1 3.74Å; L573-F709 HydrophobicContact CD2-CG 3.91Å; L573-F709 HydrophobicContact CG-CB 3.78Å; L573-F709 HydrophobicContact CG-CD1 3.63Å; L573-F709 HydrophobicContact CG-CD2 4.37Å; L573-F709 HydrophobicContact CG-CE1 4.26Å; L573-F709 HydrophobicContact CG-CG 3.71Å; L573-N710 HydrophobicContact CD2-CB 4.19Å; L573-N710 VanDerWaalsContact CD2-ND2 3.34Å; L573-N710 WeakPolarHBondContact CD2-ND2 3.49Å; L573-N710 WeakPolarHBondContact CD2-OD1 3.44Å
574	Q	29.7	Very low	37.1	Very low	23 Å²	23	52.5 Å²	52.5	11%	0.107	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-84.5	0.1	-168.4	74.2	-161.9	-2.5	0	0	114.1	E534	E534-Q574 VanDerWaalsContact CD-NE2 3.29Å; E534-Q574 PolarHBondContact OE1-NE2 2.89Å; E534-Q574 PolarHBondContact OE2-NE2 3.21Å; E534-Q574 VanDerWaalsContact OE2-NE2 3.11Å
575	Y	33.9	Very low	37.3	Very low	4 Å²	4	50.5 Å²	50.5	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-126.3	12.2	178	-70.4	-80.8	0	0	0	112.6	L531 K532 P533 L573 W593 S594 V597 I598 M601	L531-Y575 VanDerWaalsContact O-CB 3.26Å; L531-Y575 WeakPolarHBondContact O-CB 3.45Å; L531-Y575 WeakPolarHBondContact O-CD2 3.35Å; K532-Y575 HydrophobicContact CB-CD2 3.36Å; K532-Y575 HydrophobicContact CB-CE2 3.23Å; K532-Y575 HydrophobicContact CB-CG 4.42Å; P533-Y575 WeakPolarHBondContact CD-OH 3.19Å; P533-Y575 WeakPolarHBondContact CG-OH 3.12Å; L573-Y575 VanDerWaalsContact C-N 3.26Å; L573-Y575 PolarHBondContact O-N 2.93Å; Y575-W593 VanDerWaalsContact O-CD1 3.3Å; Y575-S594 WeakPolarHBondContact CB-OG 3.18Å; Y575-S594 WeakPolarHBondContact CD1-O 3.41Å; Y575-S594 PolarHBondContact O-OG 2.96Å; Y575-S594 VanDerWaalsContact O-OG 3.09Å; Y575-V597 HydrophobicContact CD1-CB 3.59Å; Y575-V597 HydrophobicContact CD1-CG1 3.84Å; Y575-V597 HydrophobicContact CD1-CG2 4.31Å; Y575-V597 HydrophobicContact CE1-CB 3.45Å; Y575-V597 VanDerWaalsContact CE1-CB 3.45Å; Y575-V597 HydrophobicContact CE1-CG1 3.3Å; Y575-I598 HydrophobicContact CD1-CG1 4.12Å; Y575-I598 HydrophobicContact CE1-CD1 4.48Å; Y575-I598 HydrophobicContact CE1-CG1 3.6Å; Y575-M601 PolarHBondContact OH-SD 3.42Å
576	A	38.1	Very low	37.6	Very low	10 Å²	10	49.3 Å²	49.3	8%	0.083	28%	0.275	C	S	.	.			trans	-77.2	124.6	-176.4	0	0	0	0	0	112.8	L580 W593 F709	A576-L580 HydrophobicContact CB-CD1 3.69Å; A576-W593 PolarHBondContact O-NE1 2.86Å; A576-F709 HydrophobicContact CB-CE2 3.79Å; A576-F709 HydrophobicContact CB-CZ 4.09Å
577	A	37.6	Very low	38.1	Very low	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.			trans	-66.4	152.3	174.2	0	0	0	0	0	114.6	E579 L580 C590 W593	A577-E579 VanDerWaalsContact C-N 3.34Å; A577-E579 WeakPolarHBondContact CB-OE1 3.49Å; A577-E579 WeakPolarHBondContact CB-OE2 3.31Å; A577-E579 PolarHBondContact O-N 2.85Å; A577-L580 VanDerWaalsContact O-CB 3.32Å; A577-L580 WeakPolarHBondContact O-CB 3.4Å; A577-L580 PolarHBondContact O-N 3.02Å; A577-L580 VanDerWaalsContact O-N 3.1Å; A577-C590 HydrophobicContact CB-CB 4.12Å; A577-W593 HydrophobicContact CB-CB 3.61Å; A577-W593 HydrophobicContact CB-CD2 4.23Å; A577-W593 HydrophobicContact CB-CG 3.84Å
578	P	40.6	Very low	39.5	Very low	9 Å²	9	45.2 Å²	45.2	6%	0.058	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63	-24.4	-172.1	-29.8	40	0	0	0	116.9	L580 L581 W593 I628 V657	P578-L580 PolarHBondContact O-N 3.18Å; P578-L581 HydrophobicContact CB-CD1 4.4Å; P578-L581 WeakPolarHBondContact O-CA 3.38Å; P578-L581 WeakPolarHBondContact O-CB 3.38Å; P578-L581 WeakPolarHBondContact O-CG 3.5Å; P578-L581 PolarHBondContact O-N 3Å; P578-W593 VanDerWaalsContact CD-CE3 3.47Å; P578-W593 HydrophobicContact CG-CE3 4.22Å; P578-W593 HydrophobicContact CG-CH2 3.45Å; P578-W593 VanDerWaalsContact CG-CH2 3.45Å; P578-W593 HydrophobicContact CG-CZ2 3.96Å; P578-W593 HydrophobicContact CG-CZ3 3.6Å; P578-I628 HydrophobicContact CG-CG2 4.04Å; P578-V657 HydrophobicContact CB-CG1 3.74Å; P578-V657 HydrophobicContact CG-CB 4.31Å; P578-V657 HydrophobicContact CG-CG1 3.95Å; P578-V657 HydrophobicContact CG-CG2 4.42Å
579	E	47.4	Very low	41.4	Very low	11 Å²	11	41.5 Å²	41.5	5%	0.051	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23	174.6	65.2	-76.7	177	0	0	113.3	A577 L581 A582 P659 R662	A577-E579 VanDerWaalsContact C-N 3.34Å; A577-E579 WeakPolarHBondContact CB-OE1 3.49Å; A577-E579 WeakPolarHBondContact CB-OE2 3.31Å; A577-E579 PolarHBondContact O-N 2.85Å; E579-L581 PolarHBondContact O-N 3.15Å; E579-L581 VanDerWaalsContact O-N 3.1Å; E579-A582 PolarHBondContact O-N 2.77Å; E579-P659 HydrophobicContact CB-CB 4.48Å; E579-P659 HydrophobicContact CB-CG 3.76Å; E579-P659 HydrophobicContact CG-CB 4.01Å; E579-P659 HydrophobicContact CG-CG 3.81Å; E579-R662 IonicContact OE1-CZ 3.36Å; E579-R662 IonicContact OE1-NH1 2.69Å; E579-R662 PolarHBondContact OE1-NH1 3.42Å; E579-R662 IonicContact OE1-NH2 2.74Å; E579-R662 IonicContact OE2-CZ 2.68Å; E579-R662 IonicContact OE2-NH1 3.71Å; E579-R662 PolarHBondContact OE2-NH1 3.05Å; E579-R662 IonicContact OE2-NH2 2.85Å; E579-R662 PolarHBondContact OE2-NH2 3.06Å
580	L	42.6	Very low	43.5	Very low	18 Å²	18	37.5 Å²	37.5	9%	0.094	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63	-13.8	169.3	-66.8	159.7	0	0	0	112.4	F571 A576 A577 P578 Y586 C590 F709	F571-L580 HydrophobicContact CD1-CD1 4.36Å; F571-L580 HydrophobicContact CD2-CD2 4.47Å; F571-L580 HydrophobicContact CE1-CD1 4.14Å; F571-L580 HydrophobicContact CE1-CD2 3.79Å; F571-L580 HydrophobicContact CE2-CD2 3.76Å; F571-L580 HydrophobicContact CZ-CD2 3.38Å; A576-L580 HydrophobicContact CB-CD1 3.69Å; A577-L580 VanDerWaalsContact O-CB 3.32Å; A577-L580 WeakPolarHBondContact O-CB 3.4Å; A577-L580 PolarHBondContact O-N 3.02Å; A577-L580 VanDerWaalsContact O-N 3.1Å; P578-L580 PolarHBondContact O-N 3.18Å; L580-Y586 HydrophobicContact CB-CD1 4.45Å; L580-Y586 HydrophobicContact CD2-CD1 3.6Å; L580-Y586 HydrophobicContact CD2-CD2 4.14Å; L580-Y586 HydrophobicContact CD2-CE1 4.18Å; L580-Y586 HydrophobicContact CD2-CG 3.56Å; L580-Y586 HydrophobicContact CG-CD1 4.2Å; L580-C590 HydrophobicContact CD1-CB 3.8Å; L580-F709 HydrophobicContact CB-CZ 3.87Å
581	L	40.1	Very low	45.7	Very low	48 Å²	48	35.7 Å²	35.7	25%	0.251	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-88.3	-20.4	171.5	-52.9	169.2	0	0	0	113.4	P578 E579 M625 R629 F709	P578-L581 HydrophobicContact CB-CD1 4.4Å; P578-L581 WeakPolarHBondContact O-CA 3.38Å; P578-L581 WeakPolarHBondContact O-CB 3.38Å; P578-L581 WeakPolarHBondContact O-CG 3.5Å; P578-L581 PolarHBondContact O-N 3Å; E579-L581 PolarHBondContact O-N 3.15Å; E579-L581 VanDerWaalsContact O-N 3.1Å; L581-M625 HydrophobicContact CD2-CE 3.63Å; L581-R629 HydrophobicContact CD1-CG 3.72Å; L581-F709 HydrophobicContact CD2-CD2 3.59Å; L581-F709 HydrophobicContact CD2-CE1 4.34Å; L581-F709 HydrophobicContact CD2-CE2 3.33Å; L581-F709 HydrophobicContact CD2-CG 4.21Å; L581-F709 HydrophobicContact CD2-CZ 3.74Å; L581-F709 HydrophobicContact CG-CE2 3.99Å; L581-F709 HydrophobicContact CG-CZ 4.42Å
582	A	35.4	Very low	48.1	Very low	61 Å²	61	34 Å²	34	50%	0.504	19%	0.189	S	C	.	.	S	Bend	trans	-95.4	-5.1	-158.3	0	0	0	0	0	115.6	E579 Q584	E579-A582 PolarHBondContact O-N 2.77Å; A582-Q584 PolarHBondContact O-N 2.86Å
583	Q	39.2	Very low	50.5	Low	136 Å²	136	33.2 Å²	33.2	64%	0.636	18%	0.183	S	C	*	.	S	Bend	trans	58.3	-0.1	-171.6	-57.7	-164.8	12.2	0	0	116.5
584	Q	33.3	Very low	52.8	Low	153 Å²	153	32.5 Å²	32.5	72%	0.715	18%	0.18	S	C	*	.	S	Bend	trans	-68.3	163.1	159.4	-64.9	-170.2	6.1	0	0	110.1	A582 Y586	A582-Q584 PolarHBondContact O-N 2.86Å; Q584-Y586 WeakPolarHBondContact O-CD1 3.4Å; Q584-Y586 VanDerWaalsContact O-CE1 3.31Å; Q584-Y586 WeakPolarHBondContact O-CE1 3.42Å; Q584-Y586 PolarHBondContact O-N 3.21Å
585	G	40.7	Very low	55.5	Low	45 Å²	45	31.4 Å²	31.4	46%	0.464	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-63.7	132.3	-177.9	0	0	0	0	0	113
586	Y	50	Low	58.1	Low	34 Å²	34	31.2 Å²	31.2	13%	0.133	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-86.2	135.3	179.3	-25.5	-68.7	0	0	0	110.5	M566 L580 Q584	M566-Y586 WeakPolarHBondContact O-CD2 3.46Å; L580-Y586 HydrophobicContact CB-CD1 4.45Å; L580-Y586 HydrophobicContact CD2-CD1 3.6Å; L580-Y586 HydrophobicContact CD2-CD2 4.14Å; L580-Y586 HydrophobicContact CD2-CE1 4.18Å; L580-Y586 HydrophobicContact CD2-CG 3.56Å; L580-Y586 HydrophobicContact CG-CD1 4.2Å; Q584-Y586 WeakPolarHBondContact O-CD1 3.4Å; Q584-Y586 VanDerWaalsContact O-CE1 3.31Å; Q584-Y586 WeakPolarHBondContact O-CE1 3.42Å; Q584-Y586 PolarHBondContact O-N 3.21Å
587	D	53.5	Low	60.2	Low	46 Å²	46	31 Å²	31	25%	0.246	17%	0.172	C	C	.	.			trans	-110.4	-176.5	178	73.8	-8.4	0	0	0	111.3	S589 C590 K664	D587-S589 PolarHBondContact O-N 3.16Å; D587-S589 VanDerWaalsContact OD1-CB 3.23Å; D587-S589 WeakPolarHBondContact OD1-CB 3.32Å; D587-S589 PolarHBondContact OD1-N 2.92Å; D587-S589 PolarHBondContact OD1-OG 2.98Å; D587-S589 PolarHBondContact OD2-OG 3.02Å; D587-C590 PolarHBondContact O-SG 3.03Å; D587-K664 IonicContact OD2-NZ 2.72Å; D587-K664 PolarHBondContact OD2-NZ 3.37Å
588	E	69	Low	62.4	Low	69 Å²	69	31.1 Å²	31.1	32%	0.322	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.2	173.8	59.1	-78.6	167.3	0	0	114.9	H521 V527 C590 D591	H521-E588 PolarHBondContact CE1-O 3.09Å; H521-E588 VanDerWaalsContact CE1-O 3.28Å; V527-E588 HydrophobicContact CG2-CB 4.43Å; E588-C590 PolarHBondContact O-N 3.17Å; E588-C590 VanDerWaalsContact O-N 3.11Å; E588-D591 PolarHBondContact O-N 2.94Å
589	S	73.8	Confident	64.8	Low	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-3.6	-174.7	78.9	0	0	0	0	114.6	D587 L592 W593 P659 R662	D587-S589 PolarHBondContact O-N 3.16Å; D587-S589 VanDerWaalsContact OD1-CB 3.23Å; D587-S589 WeakPolarHBondContact OD1-CB 3.32Å; D587-S589 PolarHBondContact OD1-N 2.92Å; D587-S589 PolarHBondContact OD1-OG 2.98Å; D587-S589 PolarHBondContact OD2-OG 3.02Å; S589-L592 PolarHBondContact O-N 3.44Å; S589-W593 PolarHBondContact O-N 2.79Å; S589-P659 VanDerWaalsContact OG-CB 3.28Å; S589-P659 WeakPolarHBondContact OG-CB 3.39Å; S589-R662 PolarHBondContact O-NH1 3.33Å; S589-R662 PolarHBondContact OG-NH1 3.29Å
590	C	71.2	Confident	66.8	Low	5 Å²	5	30.5 Å²	30.5	3%	0.034	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-35.3	168.3	59.7	0	0	0	0	113.2	A577 L580 D587 E588 L592 S594	A577-C590 HydrophobicContact CB-CB 4.12Å; L580-C590 HydrophobicContact CD1-CB 3.8Å; D587-C590 PolarHBondContact O-SG 3.03Å; E588-C590 PolarHBondContact O-N 3.17Å; E588-C590 VanDerWaalsContact O-N 3.11Å; C590-L592 VanDerWaalsContact C-N 3.26Å; C590-L592 PolarHBondContact O-N 3.2Å; C590-S594 PolarHBondContact O-N 3.28Å; C590-S594 VanDerWaalsContact O-N 3.15Å; C590-S594 PolarHBondContact O-OG 3.48Å
591	D	81.1	Confident	68.7	Low	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-26.6	172.9	-74.1	-22	0	0	0	111	V517 H521 V527 H528 R529 L531 E588 S594 L595	V517-D591 HydrophobicContact CG1-CB 3.93Å; H521-D591 IonicContact CD2-OD2 3.17Å; H521-D591 IonicContact CE1-OD2 3.05Å; H521-D591 IonicContact NE2-OD2 3.26Å; H521-D591 PolarHBondContact NE2-OD2 2.87Å; V527-D591 VanDerWaalsContact CG1-OD2 3.28Å; V527-D591 WeakPolarHBondContact CG1-OD2 3.42Å; H528-D591 PolarHBondContact N-OD2 3.4Å; R529-D591 PolarHBondContact N-OD1 3.05Å; L531-D591 HydrophobicContact CD1-CB 3.54Å; E588-D591 PolarHBondContact O-N 2.94Å; D591-S594 WeakPolarHBondContact O-CB 3.37Å; D591-S594 PolarHBondContact O-N 3.47Å; D591-L595 WeakPolarHBondContact O-CG 3.29Å; D591-L595 PolarHBondContact O-N 3.09Å; D591-L595 VanDerWaalsContact O-N 3.11Å
592	L	86.3	Confident	71	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-76.1	-40	178	-53.6	-176.9	0	0	0	112.7	V517 S589 C590 S594 L595 G596 L654 L663 L665	V517-L592 HydrophobicContact CG1-CD2 4.23Å; S589-L592 PolarHBondContact O-N 3.44Å; C590-L592 VanDerWaalsContact C-N 3.26Å; C590-L592 PolarHBondContact O-N 3.2Å; L592-S594 PolarHBondContact O-N 3.45Å; L592-L595 HydrophobicContact CD2-CD1 4.24Å; L592-L595 PolarHBondContact O-N 3.32Å; L592-G596 PolarHBondContact O-N 3.31Å; L592-L654 HydrophobicContact CB-CD2 4.26Å; L592-L663 WeakPolarHBondContact CD1-O 3.23Å; L592-L665 HydrophobicContact CD1-CG 4.31Å; L592-L665 HydrophobicContact CD2-CD2 3.52Å; L592-L665 HydrophobicContact CD2-CG 3.84Å
593	W	82.8	Confident	73.5	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-35.6	166.5	178.9	-78.7	0	0	0	111.1	Y575 A576 A577 P578 S589 L595 G596 V597 F609 I628 L655	Y575-W593 VanDerWaalsContact O-CD1 3.3Å; A576-W593 PolarHBondContact O-NE1 2.86Å; A577-W593 HydrophobicContact CB-CB 3.61Å; A577-W593 HydrophobicContact CB-CD2 4.23Å; A577-W593 HydrophobicContact CB-CG 3.84Å; P578-W593 VanDerWaalsContact CD-CE3 3.47Å; P578-W593 HydrophobicContact CG-CE3 4.22Å; P578-W593 HydrophobicContact CG-CH2 3.45Å; P578-W593 VanDerWaalsContact CG-CH2 3.45Å; P578-W593 HydrophobicContact CG-CZ2 3.96Å; P578-W593 HydrophobicContact CG-CZ3 3.6Å; S589-W593 PolarHBondContact O-N 2.79Å; W593-L595 PolarHBondContact O-N 2.93Å; W593-G596 PolarHBondContact O-N 2.89Å; W593-G596 VanDerWaalsContact O-N 3.1Å; W593-V597 PolarHBondContact O-N 2.74Å; W593-V597 VanDerWaalsContact O-N 3.1Å; W593-F609 HydrophobicContact CH2-CE2 4.23Å; W593-F609 AromaticContact CH2-CZ 3.75Å; W593-F609 HydrophobicContact CH2-CZ 3.75Å; W593-F609 AromaticContact CZ2-CE2 3.5Å; W593-F609 HydrophobicContact CZ2-CE2 3.5Å; W593-F609 VanDerWaalsContact CZ2-CE2 3.5Å; W593-F609 AromaticContact CZ2-CZ 3.5Å; W593-F609 HydrophobicContact CZ2-CZ 3.5Å; W593-I628 HydrophobicContact CZ2-CG2 4.11Å; W593-L655 HydrophobicContact CD2-CD2 3.96Å; W593-L655 HydrophobicContact CE3-CD2 4.31Å; W593-L655 HydrophobicContact CG-CD2 4.32Å; W593-L655 HydrophobicContact CZ2-CD2 4.36Å; W593-L655 HydrophobicContact CZ3-CB 4.36Å; W593-L655 WeakPolarHBondContact CZ3-O 3.41Å
594	S	81.9	Confident	75.7	Confident	5 Å²	5	18 Å²	18	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-59.2	-48.4	176.6	-51.7	0	0	0	0	111.2	Y575 C590 D591 L592 G596 V597 I598	Y575-S594 WeakPolarHBondContact CB-OG 3.18Å; Y575-S594 WeakPolarHBondContact CD1-O 3.41Å; Y575-S594 PolarHBondContact O-OG 2.96Å; Y575-S594 VanDerWaalsContact O-OG 3.09Å; C590-S594 PolarHBondContact O-N 3.28Å; C590-S594 VanDerWaalsContact O-N 3.15Å; C590-S594 PolarHBondContact O-OG 3.48Å; D591-S594 WeakPolarHBondContact O-CB 3.37Å; D591-S594 PolarHBondContact O-N 3.47Å; L592-S594 PolarHBondContact O-N 3.45Å; S594-G596 VanDerWaalsContact C-N 3.27Å; S594-G596 PolarHBondContact O-N 3.37Å; S594-V597 PolarHBondContact O-N 3.35Å; S594-I598 WeakPolarHBondContact O-CG1 3.47Å; S594-I598 PolarHBondContact O-N 3.23Å; S594-I598 VanDerWaalsContact O-N 3.08Å
595	L	87.9	Confident	77.8	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.1	-36.3	173.7	-64.9	175.2	0	0	0	112.5	L510 L513 V514 V517 D591 L592 W593 I598 L599 L654 L668	L510-L595 HydrophobicContact CD1-CB 4.27Å; L510-L595 HydrophobicContact CD1-CD2 4.45Å; L513-L595 HydrophobicContact CB-CD2 3.66Å; L513-L595 HydrophobicContact CD1-CD2 4.39Å; V514-L595 HydrophobicContact CG2-CD1 3.94Å; V517-L595 HydrophobicContact CB-CD1 4.29Å; V517-L595 HydrophobicContact CG1-CD1 4.41Å; V517-L595 HydrophobicContact CG2-CD1 4.19Å; V517-L595 HydrophobicContact CG2-CD2 4.31Å; V517-L595 HydrophobicContact CG2-CG 4.49Å; D591-L595 WeakPolarHBondContact O-CG 3.29Å; D591-L595 PolarHBondContact O-N 3.09Å; D591-L595 VanDerWaalsContact O-N 3.11Å; L592-L595 HydrophobicContact CD2-CD1 4.24Å; L592-L595 PolarHBondContact O-N 3.32Å; W593-L595 PolarHBondContact O-N 2.93Å; L595-I598 HydrophobicContact CD2-CD1 4.48Å; L595-I598 PolarHBondContact O-N 3.2Å; L595-L599 VanDerWaalsContact O-CB 3.3Å; L595-L599 WeakPolarHBondContact O-CB 3.24Å; L595-L599 PolarHBondContact O-N 3.26Å; L595-L654 HydrophobicContact CB-CD1 4.5Å; L595-L668 HydrophobicContact CD1-CD2 4.39Å
596	G	87.4	Confident	79.6	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-41.9	176.1	0	0	0	0	0	114.1	L592 W593 S594 Y600 L654	L592-G596 PolarHBondContact O-N 3.31Å; W593-G596 PolarHBondContact O-N 2.89Å; W593-G596 VanDerWaalsContact O-N 3.1Å; S594-G596 VanDerWaalsContact C-N 3.27Å; S594-G596 PolarHBondContact O-N 3.37Å; G596-Y600 PolarHBondContact O-N 3.17Å; G596-L654 VanDerWaalsContact CA-CB 3.47Å
597	V	81.9	Confident	80.8	Confident	6 Å²	6	10.1 Å²	10.1	4%	0.036	5%	0.05	C	C	.	.	H	α-helix	trans	-71.3	-39.8	176.4	178.9	0	0	0	0	110.5	Y575 W593 S594 L599 Y600 M601 P608 L655	Y575-V597 HydrophobicContact CD1-CB 3.59Å; Y575-V597 HydrophobicContact CD1-CG1 3.84Å; Y575-V597 HydrophobicContact CD1-CG2 4.31Å; Y575-V597 HydrophobicContact CE1-CB 3.45Å; Y575-V597 VanDerWaalsContact CE1-CB 3.45Å; Y575-V597 HydrophobicContact CE1-CG1 3.3Å; W593-V597 PolarHBondContact O-N 2.74Å; W593-V597 VanDerWaalsContact O-N 3.1Å; S594-V597 PolarHBondContact O-N 3.35Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.43Å; V597-Y600 PolarHBondContact O-N 2.91Å; V597-M601 WeakPolarHBondContact O-CG 3.39Å; V597-M601 PolarHBondContact O-N 3.31Å; V597-P608 HydrophobicContact CB-CG 4.26Å; V597-P608 HydrophobicContact CG1-CG 3.82Å; V597-P608 HydrophobicContact CG2-CG 4.04Å; V597-L655 HydrophobicContact CG2-CD2 3.57Å
598	I	85.3	Confident	81.6	Confident	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-59.9	-46	174.7	-64.8	161.5	0	0	0	110.1	L491 L513 P533 I536 Y575 S594 L595 M601 M602	L491-I598 HydrophobicContact CD2-CG2 3.99Å; L513-I598 HydrophobicContact CD1-CG2 4.11Å; P533-I598 HydrophobicContact CG-CG1 4.28Å; I536-I598 HydrophobicContact CD1-CD1 3.67Å; Y575-I598 HydrophobicContact CD1-CG1 4.12Å; Y575-I598 HydrophobicContact CE1-CD1 4.48Å; Y575-I598 HydrophobicContact CE1-CG1 3.6Å; S594-I598 WeakPolarHBondContact O-CG1 3.47Å; S594-I598 PolarHBondContact O-N 3.23Å; S594-I598 VanDerWaalsContact O-N 3.08Å; L595-I598 HydrophobicContact CD2-CD1 4.48Å; L595-I598 PolarHBondContact O-N 3.2Å; I598-M601 PolarHBondContact O-N 2.75Å; I598-M602 HydrophobicContact CG2-CE 4.31Å; I598-M602 HydrophobicContact CG2-CG 4.49Å; I598-M602 HydrophobicContact CG2-SD 4.47Å; I598-M602 WeakPolarHBondContact O-CG 3.31Å; I598-M602 PolarHBondContact O-N 2.91Å
599	L	90.9	Very high	81.9	Confident	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.3	-179	59.3	0	0	0	112	L510 L595 V597 M601 M602 L603 L650 V651 L654 W673	L510-L599 HydrophobicContact CD1-CB 4.37Å; L510-L599 HydrophobicContact CD2-CD1 4.02Å; L510-L599 HydrophobicContact CD2-CD2 3.81Å; L510-L599 HydrophobicContact CD2-CG 4.36Å; L595-L599 VanDerWaalsContact O-CB 3.3Å; L595-L599 WeakPolarHBondContact O-CB 3.24Å; L595-L599 PolarHBondContact O-N 3.26Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.43Å; L599-M601 VanDerWaalsContact C-N 3.27Å; L599-M601 PolarHBondContact O-N 3.05Å; L599-M602 HydrophobicContact CD1-CE 4.21Å; L599-M602 PolarHBondContact O-N 3Å; L599-L603 HydrophobicContact CD1-CD1 3.74Å; L599-L603 HydrophobicContact CD1-CG 3.93Å; L599-L603 HydrophobicContact CG-CD1 3.81Å; L599-L603 HydrophobicContact CG-CG 4.38Å; L599-L603 WeakPolarHBondContact O-CG 3.22Å; L599-L603 PolarHBondContact O-N 3.41Å; L599-L650 HydrophobicContact CD2-CB 3.96Å; L599-V651 HydrophobicContact CB-CG2 4.35Å; L599-V651 HydrophobicContact CD2-CG2 3.6Å; L599-V651 HydrophobicContact CG-CG2 3.7Å; L599-L654 HydrophobicContact CD2-CD1 4.3Å; L599-W673 HydrophobicContact CD1-CH2 3.64Å; L599-W673 HydrophobicContact CD1-CZ3 4.02Å
600	Y	87.6	Confident	81.4	Confident	7 Å²	7	10 Å²	10	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-54.6	-45	175	-175	-71.6	0	0	0	111.2	G596 V597 L603 S604 Q606 P608 F633 S634 L635 W640 V651 L655	G596-Y600 PolarHBondContact O-N 3.17Å; V597-Y600 PolarHBondContact O-N 2.91Å; Y600-L603 PolarHBondContact O-N 3.14Å; Y600-S604 WeakPolarHBondContact CD1-OG 3.37Å; Y600-S604 VanDerWaalsContact CE1-OG 3.29Å; Y600-S604 WeakPolarHBondContact CE1-OG 3.4Å; Y600-S604 PolarHBondContact O-N 2.93Å; Y600-S604 VanDerWaalsContact O-N 3.16Å; Y600-S604 PolarHBondContact O-OG 2.93Å; Y600-Q606 WeakPolarHBondContact CD1-O 3.48Å; Y600-Q606 HydrophobicContact CE1-CB 3.92Å; Y600-P608 HydrophobicContact CD1-CB 4.03Å; Y600-P608 VanDerWaalsContact CD1-CD 3.48Å; Y600-P608 HydrophobicContact CD1-CG 4.24Å; Y600-P608 HydrophobicContact CD2-CB 3.61Å; Y600-P608 HydrophobicContact CD2-CG 4.41Å; Y600-P608 HydrophobicContact CE1-CB 4.28Å; Y600-P608 HydrophobicContact CE2-CB 3.88Å; Y600-P608 HydrophobicContact CG-CB 3.73Å; Y600-P608 HydrophobicContact CG-CG 4.05Å; Y600-F633 HydrophobicContact CD2-CD2 4.21Å; Y600-F633 AromaticContact CE2-CD2 3.97Å; Y600-F633 HydrophobicContact CE2-CD2 3.97Å; Y600-S634 WeakPolarHBondContact CE2-O 3.47Å; Y600-S634 PolarHBondContact OH-O 2.72Å; Y600-L635 HydrophobicContact CD2-CD2 4.06Å; Y600-L635 HydrophobicContact CE2-CD2 3.87Å; Y600-W640 HydrophobicContact CD1-CZ2 4.11Å; Y600-W640 AromaticContact CD2-CH2 3.99Å; Y600-W640 HydrophobicContact CD2-CH2 3.99Å; Y600-W640 AromaticContact CD2-CZ2 3.51Å; Y600-W640 HydrophobicContact CD2-CZ2 3.51Å; Y600-W640 AromaticContact CE1-CZ2 3.99Å; Y600-W640 HydrophobicContact CE1-CZ2 3.99Å; Y600-W640 HydrophobicContact CE2-CH2 4.26Å; Y600-W640 AromaticContact CE2-CZ2 3.38Å; Y600-W640 HydrophobicContact CE2-CZ2 3.38Å; Y600-W640 HydrophobicContact CG-CH2 4.28Å; Y600-W640 AromaticContact CG-CZ2 3.85Å; Y600-W640 HydrophobicContact CG-CZ2 3.85Å; Y600-W640 AromaticContact CZ-CZ2 3.61Å; Y600-W640 AromaticContact CZ-NE1 3.82Å; Y600-W640 PolarHBondContact OH-NE1 2.85Å; Y600-V651 HydrophobicContact CD2-CG1 3.92Å; Y600-L655 HydrophobicContact CD2-CD1 4.5Å
601	M	83.4	Confident	80.7	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.9	-39.8	179.2	-68.4	-177.8	77.1	0	0	112.9	L492 P533 Y575 V597 I598 L599 G605 Q606 V607 V698 L702	L492-M601 HydrophobicContact CD1-CE 3.36Å; L492-M601 HydrophobicContact CD1-SD 4.36Å; L492-M601 HydrophobicContact CD2-CB 4.3Å; P533-M601 HydrophobicContact CG-SD 4.39Å; Y575-M601 PolarHBondContact OH-SD 3.42Å; V597-M601 WeakPolarHBondContact O-CG 3.39Å; V597-M601 PolarHBondContact O-N 3.31Å; I598-M601 PolarHBondContact O-N 2.75Å; L599-M601 VanDerWaalsContact C-N 3.27Å; L599-M601 PolarHBondContact O-N 3.05Å; M601-G605 WeakPolarHBondContact O-CA 3.49Å; M601-G605 PolarHBondContact O-N 3.1Å; M601-Q606 WeakPolarHBondContact CA-O 3.32Å; M601-Q606 VanDerWaalsContact CG-O 3.28Å; M601-Q606 WeakPolarHBondContact CG-O 3.24Å; M601-V607 HydrophobicContact CE-CG1 3.74Å; M601-V607 HydrophobicContact CG-CG1 4.16Å; M601-V607 HydrophobicContact SD-CG1 3.95Å; M601-V698 HydrophobicContact CE-CG1 3.94Å; M601-L702 HydrophobicContact CE-CD1 4.21Å; M601-L702 HydrophobicContact CE-CD2 4.37Å; M601-L702 HydrophobicContact SD-CD2 4.41Å
602	M	88.4	Confident	79.2	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-37.9	175.7	-68.5	-167.3	-58.9	0	0	112.6	L491 I495 F501 A506 I509 L510 I598 L599 T687	L491-M602 HydrophobicContact CD1-SD 4.3Å; L491-M602 HydrophobicContact CD2-CG 4.5Å; L491-M602 HydrophobicContact CD2-SD 4.2Å; I495-M602 HydrophobicContact CD1-CG 4.01Å; I495-M602 HydrophobicContact CD1-SD 4.45Å; F501-M602 HydrophobicContact CE1-CB 4.35Å; F501-M602 WeakPolarHBondContact CE1-O 3.15Å; A506-M602 HydrophobicContact CB-CB 4.38Å; I509-M602 HydrophobicContact CB-CE 4.34Å; I509-M602 HydrophobicContact CB-SD 3.93Å; I509-M602 HydrophobicContact CD1-SD 4.11Å; I509-M602 HydrophobicContact CG2-CE 4.1Å; I509-M602 HydrophobicContact CG2-SD 3.5Å; I509-M602 VanDerWaalsContact CG2-SD 3.5Å; L510-M602 HydrophobicContact CB-CE 4.29Å; I598-M602 HydrophobicContact CG2-CE 4.31Å; I598-M602 HydrophobicContact CG2-CG 4.49Å; I598-M602 HydrophobicContact CG2-SD 4.47Å; I598-M602 WeakPolarHBondContact O-CG 3.31Å; I598-M602 PolarHBondContact O-N 2.91Å; L599-M602 HydrophobicContact CD1-CE 4.21Å; L599-M602 PolarHBondContact O-N 3Å; M602-T687 WeakPolarHBondContact O-CB 3.13Å; M602-T687 VanDerWaalsContact O-CG2 3.29Å; M602-T687 WeakPolarHBondContact O-CG2 3.43Å; M602-T687 PolarHBondContact O-OG1 2.93Å
603	L	88.5	Confident	77.4	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-78	-25.3	-177	-67.6	173.6	0	0	0	114.1	E503 A506 L599 Y600 W640 V643 A647 V651 W673 L685 T687	E503-L603 HydrophobicContact CG-CD2 4.05Å; A506-L603 HydrophobicContact CB-CD2 4.11Å; L599-L603 HydrophobicContact CD1-CD1 3.74Å; L599-L603 HydrophobicContact CD1-CG 3.93Å; L599-L603 HydrophobicContact CG-CD1 3.81Å; L599-L603 HydrophobicContact CG-CG 4.38Å; L599-L603 WeakPolarHBondContact O-CG 3.22Å; L599-L603 PolarHBondContact O-N 3.41Å; Y600-L603 PolarHBondContact O-N 3.14Å; L603-W640 HydrophobicContact CB-CH2 3.78Å; L603-W640 HydrophobicContact CB-CZ3 3.81Å; L603-W640 HydrophobicContact CD1-CH2 4.17Å; L603-W640 HydrophobicContact CD1-CZ3 3.94Å; L603-V643 HydrophobicContact CB-CG1 4.45Å; L603-V643 HydrophobicContact CB-CG2 4.41Å; L603-V643 HydrophobicContact CD1-CG1 4.16Å; L603-V643 HydrophobicContact CD2-CG1 4.22Å; L603-A647 HydrophobicContact CD1-CB 3.9Å; L603-A647 HydrophobicContact CD2-CB 4.43Å; L603-V651 HydrophobicContact CD1-CG2 3.94Å; L603-W673 HydrophobicContact CD2-CZ2 4.19Å; L603-L685 HydrophobicContact CD2-CD1 4.2Å; L603-T687 PolarHBondContact O-OG1 3.36Å
604	S	85.2	Confident	75.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-127.9	-17.8	-170	68.9	0	0	0	0	116.3	Y600 Q606 V690	Y600-S604 WeakPolarHBondContact CD1-OG 3.37Å; Y600-S604 VanDerWaalsContact CE1-OG 3.29Å; Y600-S604 WeakPolarHBondContact CE1-OG 3.4Å; Y600-S604 PolarHBondContact O-N 2.93Å; Y600-S604 VanDerWaalsContact O-N 3.16Å; Y600-S604 PolarHBondContact O-OG 2.93Å; S604-Q606 PolarHBondContact O-N 3.49Å; S604-Q606 PolarHBondContact OG-N 3.14Å; S604-Q606 VanDerWaalsContact OG-N 3.12Å; S604-V690 WeakPolarHBondContact O-CG1 3.1Å
605	G	76.4	Confident	73.7	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	69.9	0.5	-168.3	0	0	0	0	0	114.7	M601	M601-G605 WeakPolarHBondContact O-CA 3.49Å; M601-G605 PolarHBondContact O-N 3.1Å
606	Q	79.8	Confident	71.3	Confident	58 Å²	58	35.1 Å²	35.1	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	-106.1	171.6	-179.5	-60.8	178.9	-2.4	0	0	110.7	Y600 M601 S604 V690	Y600-Q606 WeakPolarHBondContact CD1-O 3.48Å; Y600-Q606 HydrophobicContact CE1-CB 3.92Å; M601-Q606 WeakPolarHBondContact CA-O 3.32Å; M601-Q606 VanDerWaalsContact CG-O 3.28Å; M601-Q606 WeakPolarHBondContact CG-O 3.24Å; S604-Q606 PolarHBondContact O-N 3.49Å; S604-Q606 PolarHBondContact OG-N 3.14Å; S604-Q606 VanDerWaalsContact OG-N 3.12Å; Q606-V690 HydrophobicContact CG-CG1 4.02Å
607	V	74.4	Confident	68.9	Low	9 Å²	9	39.7 Å²	39.7	6%	0.055	28%	0.275	C	S	.	.			trans	-104.7	142.7	170.9	-61.1	0	0	0	0	109.8	M601 F609 Q610 V698 L702	M601-V607 HydrophobicContact CE-CG1 3.74Å; M601-V607 HydrophobicContact CG-CG1 4.16Å; M601-V607 HydrophobicContact SD-CG1 3.95Å; V607-F609 VanDerWaalsContact C-N 3.3Å; V607-F609 PolarHBondContact O-N 3.42Å; V607-Q610 HydrophobicContact CG2-CG 3.42Å; V607-Q610 VanDerWaalsContact CG2-CG 3.42Å; V607-Q610 WeakPolarHBondContact O-CG 3.37Å; V607-V698 HydrophobicContact CG1-CG1 4.39Å; V607-L702 HydrophobicContact CG1-CD2 3.92Å; V607-L702 HydrophobicContact CG1-CG 4.24Å
608	P	69.8	Low	67.1	Low	8 Å²	8	45.6 Å²	45.6	5%	0.052	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.1	-171.2	17.1	-27.6	0	0	0	113.4	V597 Y600 F633 L655	V597-P608 HydrophobicContact CB-CG 4.26Å; V597-P608 HydrophobicContact CG1-CG 3.82Å; V597-P608 HydrophobicContact CG2-CG 4.04Å; Y600-P608 HydrophobicContact CD1-CB 4.03Å; Y600-P608 VanDerWaalsContact CD1-CD 3.48Å; Y600-P608 HydrophobicContact CD1-CG 4.24Å; Y600-P608 HydrophobicContact CD2-CB 3.61Å; Y600-P608 HydrophobicContact CD2-CG 4.41Å; Y600-P608 HydrophobicContact CE1-CB 4.28Å; Y600-P608 HydrophobicContact CE2-CB 3.88Å; Y600-P608 HydrophobicContact CG-CB 3.73Å; Y600-P608 HydrophobicContact CG-CG 4.05Å; P608-F633 HydrophobicContact CB-CB 3.96Å; P608-F633 HydrophobicContact CB-CG 4.32Å; P608-F633 WeakPolarHBondContact O-CB 3.36Å; P608-L655 HydrophobicContact CB-CD1 3.82Å; P608-L655 HydrophobicContact CG-CD1 4.12Å
609	F	75.1	Confident	65.5	Low	12 Å²	12	48.9 Å²	48.9	5%	0.053	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	63.9	-175.7	-49.6	-70.9	0	0	0	110.2	W593 V607 I624 K627 I628 F633 L655	W593-F609 HydrophobicContact CH2-CE2 4.23Å; W593-F609 AromaticContact CH2-CZ 3.75Å; W593-F609 HydrophobicContact CH2-CZ 3.75Å; W593-F609 AromaticContact CZ2-CE2 3.5Å; W593-F609 HydrophobicContact CZ2-CE2 3.5Å; W593-F609 VanDerWaalsContact CZ2-CE2 3.5Å; W593-F609 AromaticContact CZ2-CZ 3.5Å; W593-F609 HydrophobicContact CZ2-CZ 3.5Å; V607-F609 VanDerWaalsContact C-N 3.3Å; V607-F609 PolarHBondContact O-N 3.42Å; F609-I624 HydrophobicContact CB-CG2 4.08Å; F609-I624 WeakPolarHBondContact O-CG1 3.3Å; F609-K627 HydrophobicContact CD1-CB 4.04Å; F609-I628 HydrophobicContact CB-CD1 4.45Å; F609-I628 HydrophobicContact CB-CG1 3.99Å; F609-I628 HydrophobicContact CD1-CG1 3.94Å; F609-I628 HydrophobicContact CD2-CD1 4.24Å; F609-I628 HydrophobicContact CD2-CG1 3.58Å; F609-I628 HydrophobicContact CE1-CG1 4.32Å; F609-I628 HydrophobicContact CE2-CG1 4.02Å; F609-I628 HydrophobicContact CG-CD1 4.37Å; F609-I628 HydrophobicContact CG-CG1 3.54Å; F609-I628 HydrophobicContact CZ-CG1 4.37Å; F609-F633 HydrophobicContact CD1-CB 4.23Å; F609-F633 HydrophobicContact CE1-CB 4.02Å; F609-F633 AromaticContact CE1-CD1 3.81Å; F609-F633 HydrophobicContact CE1-CD1 3.81Å; F609-F633 HydrophobicContact CE1-CG 4.36Å; F609-F633 HydrophobicContact CZ-CD1 4.03Å; F609-L655 HydrophobicContact CE2-CD2 4.49Å; F609-L655 HydrophobicContact CZ-CD1 4.44Å
610	Q	64.7	Low	63.7	Low	92 Å²	92	53.1 Å²	53.1	43%	0.43	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-72.6	133.1	168.6	-74.9	-179.4	-2	0	0	110.6	V607 K627	V607-Q610 HydrophobicContact CG2-CG 3.42Å; V607-Q610 VanDerWaalsContact CG2-CG 3.42Å; V607-Q610 WeakPolarHBondContact O-CG 3.37Å; Q610-K627 PolarHBondContact O-NZ 3.46Å
611	G	56.7	Low	61.5	Low	8 Å²	8	53.8 Å²	53.8	8%	0.082	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-82.1	135.2	164	0	0	0	0	0	110.4	E623	G611-E623 WeakPolarHBondContact CA-OE2 3.42Å
612	A	49.7	Very low	59.9	Low	67 Å²	67	56.1 Å²	56.1	55%	0.554	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-66.9	140.4	-169.8	0	0	0	0	0	112.7	G614 E623	A612-G614 PolarHBondContact O-N 2.61Å; A612-E623 PolarHBondContact N-OE1 2.6Å; A612-E623 PolarHBondContact N-OE2 3.41Å
613	S	47.8	Very low	58.7	Low	133 Å²	133	57.8 Å²	57.8	93%	0.93	38%	0.379	S	S	*	.	S	Bend	trans	-75.9	66.2	-179.8	45	0	0	0	0	113.1
614	G	48.5	Very low	57.2	Low	61 Å²	61	57.9 Å²	57.9	63%	0.629	38%	0.38	S	S	*	.	S	Bend	trans	89.7	76.8	157.8	0	0	0	0	0	116.8	A612	A612-G614 PolarHBondContact O-N 2.61Å
615	Q	37.6	Very low	55.6	Low	209 Å²	209	59 Å²	59	98%	0.977	39%	0.385	S	S	*	.	S	Bend	trans	-159.7	61.1	151.6	-117.9	170.2	74.2	0	0	112.7
616	G	37.8	Very low	54.8	Low	66 Å²	66	61.1 Å²	61.1	68%	0.68	40%	0.4	S	S	*	.	S	Bend	trans	177.3	143.1	175.7	0	0	0	0	0	112.9	Q618	G616-Q618 PolarHBondContact O-N 3.4Å
617	G	38.4	Very low	54.1	Low	97 Å²	97	60.5 Å²	60.5	100%	1	40%	0.396	S	S	*	.	S	Bend	trans	-77.1	21.3	-174.4	0	0	0	0	0	116.2
618	Q	42.8	Very low	53.7	Low	130 Å²	130	60.6 Å²	60.6	61%	0.607	40%	0.396	S	S	*	.	S	Bend	trans	-93.1	149.3	174.7	-62.1	-171.7	3.4	0	0	109.7	G616	G616-Q618 PolarHBondContact O-N 3.4Å
619	S	52.7	Low	53.3	Low	70 Å²	70	67.7 Å²	67.7	49%	0.49	42%	0.422	S	S	.	.			trans	-73.3	141.5	171.4	66.9	0	0	0	0	109.6	A621 A622 E623	S619-A621 PolarHBondContact O-N 2.89Å; S619-A621 VanDerWaalsContact O-N 3.17Å; S619-A622 WeakPolarHBondContact O-CA 3.5Å; S619-A622 WeakPolarHBondContact O-CB 3.25Å; S619-A622 PolarHBondContact O-N 3.11Å; S619-A622 VanDerWaalsContact OG-CB 3.31Å; S619-A622 WeakPolarHBondContact OG-CB 3.35Å; S619-A622 PolarHBondContact OG-N 3.45Å; S619-E623 PolarHBondContact O-N 2.66Å
620	Q	52.1	Low	53.1	Low	88 Å²	88	71.9 Å²	71.9	41%	0.411	44%	0.442	S	S	.	.	H	α-helix	trans	-50.3	-44.5	179.1	-161.9	-176.8	26.6	0	0	111.2	A622 E623 I624	Q620-A622 PolarHBondContact O-N 3.28Å; Q620-E623 PolarHBondContact O-N 3.05Å; Q620-I624 HydrophobicContact CG-CD1 4.02Å; Q620-I624 WeakPolarHBondContact O-CB 3.38Å; Q620-I624 WeakPolarHBondContact O-CD1 3.41Å; Q620-I624 WeakPolarHBondContact O-CG1 3.47Å; Q620-I624 PolarHBondContact O-N 3.11Å
621	A	41.8	Very low	53.2	Low	22 Å²	22	68.5 Å²	68.5	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-53.8	-45.6	171.8	0	0	0	0	0	114.1	S619 M625 A708	S619-A621 PolarHBondContact O-N 2.89Å; S619-A621 VanDerWaalsContact O-N 3.17Å; A621-M625 VanDerWaalsContact O-CG 3.29Å; A621-M625 WeakPolarHBondContact O-CG 3.27Å; A621-M625 PolarHBondContact O-N 3.5Å; A621-A708 HydrophobicContact CB-CB 3.56Å; A621-A708 VanDerWaalsContact O-CB 3.24Å; A621-A708 WeakPolarHBondContact O-CB 3.19Å
622	A	50.5	Low	54	Low	48 Å²	48	74.3 Å²	74.3	40%	0.397	45%	0.451	S	S	.	.	H	α-helix	trans	-71.9	-39.4	179.3	0	0	0	0	0	112.3	S619 Q620 I624 M625 C626	S619-A622 WeakPolarHBondContact O-CA 3.5Å; S619-A622 WeakPolarHBondContact O-CB 3.25Å; S619-A622 PolarHBondContact O-N 3.11Å; S619-A622 VanDerWaalsContact OG-CB 3.31Å; S619-A622 WeakPolarHBondContact OG-CB 3.35Å; S619-A622 PolarHBondContact OG-N 3.45Å; Q620-A622 PolarHBondContact O-N 3.28Å; A622-I624 VanDerWaalsContact C-N 3.35Å; A622-M625 PolarHBondContact O-N 3.04Å; A622-C626 WeakPolarHBondContact O-CB 3.35Å; A622-C626 PolarHBondContact O-N 2.91Å
623	E	61.5	Low	55.5	Low	36 Å²	36	73.3 Å²	73.3	17%	0.168	44%	0.435	C	S	.	.	H	α-helix	trans	-59.9	-45.4	174.3	-170.3	-158.6	155.3	0	0	111	G611 A612 S619 Q620 C626 K627	G611-E623 WeakPolarHBondContact CA-OE2 3.42Å; A612-E623 PolarHBondContact N-OE1 2.6Å; A612-E623 PolarHBondContact N-OE2 3.41Å; S619-E623 PolarHBondContact O-N 2.66Å; Q620-E623 PolarHBondContact O-N 3.05Å; E623-C626 VanDerWaalsContact O-CB 3.28Å; E623-C626 WeakPolarHBondContact O-CB 3.17Å; E623-C626 PolarHBondContact O-N 3.2Å; E623-C626 VanDerWaalsContact O-N 3.17Å; E623-K627 HydrophobicContact CG-CD 4.47Å; E623-K627 WeakPolarHBondContact O-CG 3.35Å; E623-K627 PolarHBondContact O-N 2.79Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.77Å; E623-K627 PolarHBondContact OE1-NZ 3.08Å
624	I	57.6	Low	57	Low	2 Å²	2	69.6 Å²	69.6	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.2	-68.2	169.7	0	0	0	111	F609 Q620 A622 C626 K627 I628 A704 T705	F609-I624 HydrophobicContact CB-CG2 4.08Å; F609-I624 WeakPolarHBondContact O-CG1 3.3Å; Q620-I624 HydrophobicContact CG-CD1 4.02Å; Q620-I624 WeakPolarHBondContact O-CB 3.38Å; Q620-I624 WeakPolarHBondContact O-CD1 3.41Å; Q620-I624 WeakPolarHBondContact O-CG1 3.47Å; Q620-I624 PolarHBondContact O-N 3.11Å; A622-I624 VanDerWaalsContact C-N 3.35Å; I624-C626 VanDerWaalsContact C-N 3.29Å; I624-C626 PolarHBondContact O-N 3.36Å; I624-K627 PolarHBondContact O-N 2.9Å; I624-I628 HydrophobicContact CG2-CD1 3.81Å; I624-I628 HydrophobicContact CG2-CG1 4.49Å; I624-I628 VanDerWaalsContact O-CG1 3.32Å; I624-I628 WeakPolarHBondContact O-CG1 3.11Å; I624-I628 PolarHBondContact O-N 3.21Å; I624-A704 HydrophobicContact CD1-CB 4.34Å; I624-T705 HydrophobicContact CG2-CG2 3.86Å
625	M	51.2	Low	58.8	Low	22 Å²	22	67.5 Å²	67.5	11%	0.108	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-30.9	175.2	-71.1	-74.2	-76	0	0	112.9	L581 A621 A622 R629 A708 F709	L581-M625 HydrophobicContact CD2-CE 3.63Å; A621-M625 VanDerWaalsContact O-CG 3.29Å; A621-M625 WeakPolarHBondContact O-CG 3.27Å; A621-M625 PolarHBondContact O-N 3.5Å; A622-M625 PolarHBondContact O-N 3.04Å; M625-R629 WeakPolarHBondContact O-CB 3.26Å; M625-R629 WeakPolarHBondContact O-CD 3.32Å; M625-R629 WeakPolarHBondContact O-CG 3.49Å; M625-R629 PolarHBondContact O-N 3.24Å; M625-R629 VanDerWaalsContact O-N 3.09Å; M625-A708 HydrophobicContact CG-CB 3.35Å; M625-A708 HydrophobicContact SD-CB 4.01Å; M625-F709 HydrophobicContact CE-CB 4.07Å; M625-F709 HydrophobicContact CE-CD2 4.22Å; M625-F709 HydrophobicContact CE-CG 4.27Å; M625-F709 HydrophobicContact SD-CB 3.9Å; M625-F709 HydrophobicContact SD-CD2 4.16Å; M625-F709 HydrophobicContact SD-CG 4.41Å
626	C	60.2	Low	60.7	Low	46 Å²	46	63.1 Å²	63.1	31%	0.311	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-50.4	172.3	-137.8	0	0	0	0	109.9	A622 E623 I624 I628 R629 E630	A622-C626 WeakPolarHBondContact O-CB 3.35Å; A622-C626 PolarHBondContact O-N 2.91Å; E623-C626 VanDerWaalsContact O-CB 3.28Å; E623-C626 WeakPolarHBondContact O-CB 3.17Å; E623-C626 PolarHBondContact O-N 3.2Å; E623-C626 VanDerWaalsContact O-N 3.17Å; I624-C626 VanDerWaalsContact C-N 3.29Å; I624-C626 PolarHBondContact O-N 3.36Å; C626-I628 PolarHBondContact O-N 3.33Å; C626-R629 PolarHBondContact O-N 3.49Å; C626-E630 WeakPolarHBondContact O-CB 3.35Å; C626-E630 WeakPolarHBondContact O-CG 3.44Å; C626-E630 PolarHBondContact O-N 3.21Å; C626-E630 PolarHBondContact SG-OE1 2.77Å
627	K	66.1	Low	62.7	Low	44 Å²	44	62.3 Å²	62.3	19%	0.191	36%	0.358	C	S	.	.	H	α-helix	trans	-57.7	-43.2	176.5	-76.7	173.2	163.8	168.2	0	112.8	F609 Q610 E623 I624 E630 G631 R632	F609-K627 HydrophobicContact CD1-CB 4.04Å; Q610-K627 PolarHBondContact O-NZ 3.46Å; E623-K627 HydrophobicContact CG-CD 4.47Å; E623-K627 WeakPolarHBondContact O-CG 3.35Å; E623-K627 PolarHBondContact O-N 2.79Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.77Å; E623-K627 PolarHBondContact OE1-NZ 3.08Å; I624-K627 PolarHBondContact O-N 2.9Å; K627-E630 PolarHBondContact O-N 3.02Å; K627-G631 CarbonylContact O-C 3.58Å; K627-G631 WeakPolarHBondContact O-CA 3.4Å; K627-G631 PolarHBondContact O-N 2.87Å; K627-R632 HydrophobicContact CB-CB 4.46Å; K627-R632 WeakPolarHBondContact CB-O 3.39Å; K627-R632 HydrophobicContact CG-CB 4.25Å; K627-R632 WeakPolarHBondContact CG-O 3.2Å; K627-R632 PolarHBondContact O-N 3.09Å
628	I	65	Low	64.7	Low	12 Å²	12	63.5 Å²	63.5	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-46.1	175.7	-70.5	166.6	0	0	0	111.7	P578 W593 F609 I624 C626 E630 G631 T705	P578-I628 HydrophobicContact CG-CG2 4.04Å; W593-I628 HydrophobicContact CZ2-CG2 4.11Å; F609-I628 HydrophobicContact CB-CD1 4.45Å; F609-I628 HydrophobicContact CB-CG1 3.99Å; F609-I628 HydrophobicContact CD1-CG1 3.94Å; F609-I628 HydrophobicContact CD2-CD1 4.24Å; F609-I628 HydrophobicContact CD2-CG1 3.58Å; F609-I628 HydrophobicContact CE1-CG1 4.32Å; F609-I628 HydrophobicContact CE2-CG1 4.02Å; F609-I628 HydrophobicContact CG-CD1 4.37Å; F609-I628 HydrophobicContact CG-CG1 3.54Å; F609-I628 HydrophobicContact CZ-CG1 4.37Å; I624-I628 HydrophobicContact CG2-CD1 3.81Å; I624-I628 HydrophobicContact CG2-CG1 4.49Å; I624-I628 VanDerWaalsContact O-CG1 3.32Å; I624-I628 WeakPolarHBondContact O-CG1 3.11Å; I624-I628 PolarHBondContact O-N 3.21Å; C626-I628 PolarHBondContact O-N 3.33Å; I628-E630 VanDerWaalsContact C-N 3.25Å; I628-E630 PolarHBondContact O-N 3.01Å; I628-G631 PolarHBondContact O-N 3.44Å; I628-T705 HydrophobicContact CD1-CG2 4.17Å
629	R	62.4	Low	66.6	Low	157 Å²	157	57.8 Å²	57.8	59%	0.592	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-28.8	179.2	-75.1	171.1	-173.9	-149.1	0.2	113.6	L581 M625 C626	L581-R629 HydrophobicContact CD1-CG 3.72Å; M625-R629 WeakPolarHBondContact O-CB 3.26Å; M625-R629 WeakPolarHBondContact O-CD 3.32Å; M625-R629 WeakPolarHBondContact O-CG 3.49Å; M625-R629 PolarHBondContact O-N 3.24Å; M625-R629 VanDerWaalsContact O-N 3.09Å; C626-R629 PolarHBondContact O-N 3.49Å
630	E	69.6	Low	68.1	Low	99 Å²	99	54.6 Å²	54.6	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-103.4	0	-177.2	-63.9	173.4	-115.2	0	0	113.3	C626 K627 I628 R632	C626-E630 WeakPolarHBondContact O-CB 3.35Å; C626-E630 WeakPolarHBondContact O-CG 3.44Å; C626-E630 PolarHBondContact O-N 3.21Å; C626-E630 PolarHBondContact SG-OE1 2.77Å; K627-E630 PolarHBondContact O-N 3.02Å; I628-E630 VanDerWaalsContact C-N 3.25Å; I628-E630 PolarHBondContact O-N 3.01Å; E630-R632 HydrophobicContact CB-CG 3.96Å; E630-R632 PolarHBondContact O-N 3.38Å; E630-R632 IonicContact OE1-CZ 2.8Å; E630-R632 IonicContact OE1-NE 2.77Å; E630-R632 IonicContact OE1-NH2 2.68Å; E630-R632 PolarHBondContact OE1-NH2 2.9Å; E630-R632 IonicContact OE2-CZ 3.36Å; E630-R632 IonicContact OE2-NE 3.3Å; E630-R632 PolarHBondContact OE2-NE 3.19Å; E630-R632 IonicContact OE2-NH2 2.79Å; E630-R632 PolarHBondContact OE2-NH2 3.09Å
631	G	67.8	Low	69.5	Low	22 Å²	22	57.3 Å²	57.3	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	18.5	-176.8	0	0	0	0	0	114.3	K627 I628 F633 V657	K627-G631 CarbonylContact O-C 3.58Å; K627-G631 WeakPolarHBondContact O-CA 3.4Å; K627-G631 PolarHBondContact O-N 2.87Å; I628-G631 PolarHBondContact O-N 3.44Å; G631-F633 VanDerWaalsContact O-CD1 3.26Å; G631-F633 WeakPolarHBondContact O-CD1 3.25Å; G631-F633 PolarHBondContact O-N 2.93Å; G631-F633 VanDerWaalsContact O-N 3.11Å; G631-V657 VanDerWaalsContact CA-CG2 3.42Å; G631-V657 VanDerWaalsContact N-CG2 3.33Å
632	R	72.3	Confident	71.3	Confident	129 Å²	129	57.8 Å²	57.8	49%	0.487	31%	0.309	S	S	.	.			trans	-84.1	85.7	-173.6	-69.7	-164.6	-77.6	136.3	-6	112.4	K627 E630	K627-R632 HydrophobicContact CB-CB 4.46Å; K627-R632 WeakPolarHBondContact CB-O 3.39Å; K627-R632 HydrophobicContact CG-CB 4.25Å; K627-R632 WeakPolarHBondContact CG-O 3.2Å; K627-R632 PolarHBondContact O-N 3.09Å; E630-R632 HydrophobicContact CB-CG 3.96Å; E630-R632 PolarHBondContact O-N 3.38Å; E630-R632 IonicContact OE1-CZ 2.8Å; E630-R632 IonicContact OE1-NE 2.77Å; E630-R632 IonicContact OE1-NH2 2.68Å; E630-R632 PolarHBondContact OE1-NH2 2.9Å; E630-R632 IonicContact OE2-CZ 3.36Å; E630-R632 IonicContact OE2-NE 3.3Å; E630-R632 PolarHBondContact OE2-NE 3.19Å; E630-R632 IonicContact OE2-NH2 2.79Å; E630-R632 PolarHBondContact OE2-NH2 3.09Å
633	F	81.6	Confident	73.1	Confident	47 Å²	47	55.9 Å²	55.9	21%	0.206	29%	0.293	C	S	.	.			trans	-115.4	168.5	160.4	61.7	-83.6	0	0	0	110	Y600 P608 F609 G631 L635 V651 L655	Y600-F633 HydrophobicContact CD2-CD2 4.21Å; Y600-F633 AromaticContact CE2-CD2 3.97Å; Y600-F633 HydrophobicContact CE2-CD2 3.97Å; P608-F633 HydrophobicContact CB-CB 3.96Å; P608-F633 HydrophobicContact CB-CG 4.32Å; P608-F633 WeakPolarHBondContact O-CB 3.36Å; F609-F633 HydrophobicContact CD1-CB 4.23Å; F609-F633 HydrophobicContact CE1-CB 4.02Å; F609-F633 AromaticContact CE1-CD1 3.81Å; F609-F633 HydrophobicContact CE1-CD1 3.81Å; F609-F633 HydrophobicContact CE1-CG 4.36Å; F609-F633 HydrophobicContact CZ-CD1 4.03Å; G631-F633 VanDerWaalsContact O-CD1 3.26Å; G631-F633 WeakPolarHBondContact O-CD1 3.25Å; G631-F633 PolarHBondContact O-N 2.93Å; G631-F633 VanDerWaalsContact O-N 3.11Å; F633-L635 HydrophobicContact CD2-CD2 4.11Å; F633-L635 HydrophobicContact CD2-CG 4.08Å; F633-L635 HydrophobicContact CE2-CD1 3.9Å; F633-L635 HydrophobicContact CE2-CD2 3.93Å; F633-L635 HydrophobicContact CE2-CG 3.83Å; F633-V651 HydrophobicContact CE2-CG1 3.8Å; F633-V651 HydrophobicContact CZ-CG1 4.26Å; F633-L655 HydrophobicContact CD1-CB 4.26Å; F633-L655 HydrophobicContact CD1-CD1 4.09Å; F633-L655 HydrophobicContact CD2-CD1 4.33Å; F633-L655 HydrophobicContact CE1-CB 3.46Å; F633-L655 VanDerWaalsContact CE1-CB 3.46Å; F633-L655 HydrophobicContact CE1-CD1 3.89Å; F633-L655 HydrophobicContact CE1-CG 4.33Å; F633-L655 HydrophobicContact CE2-CD1 4.12Å; F633-L655 HydrophobicContact CG-CD1 4.31Å; F633-L655 HydrophobicContact CZ-CB 3.73Å; F633-L655 HydrophobicContact CZ-CD1 3.9Å; F633-L655 HydrophobicContact CZ-CG 4.39Å
634	S	80.5	Confident	74.4	Confident	55 Å²	55	55.2 Å²	55.2	39%	0.385	29%	0.292	S	S	.	.			trans	-116.7	149.2	178.7	167.3	0	0	0	0	110	Y600 D636	Y600-S634 WeakPolarHBondContact CE2-O 3.47Å; Y600-S634 PolarHBondContact OH-O 2.72Å; S634-D636 WeakPolarHBondContact CB-OD2 3.28Å; S634-D636 WeakPolarHBondContact OG-CB 3.2Å; S634-D636 PolarHBondContact OG-N 3.31Å; S634-D636 PolarHBondContact OG-OD2 2.96Å
635	L	85	Confident	75.8	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.084	31%	0.313	C	S	.	.			trans	-123.1	32.2	175.1	-64.2	172.3	0	0	0	109.8	Y600 F633 W640 K648 V651 R652	Y600-L635 HydrophobicContact CD2-CD2 4.06Å; Y600-L635 HydrophobicContact CE2-CD2 3.87Å; F633-L635 HydrophobicContact CD2-CD2 4.11Å; F633-L635 HydrophobicContact CD2-CG 4.08Å; F633-L635 HydrophobicContact CE2-CD1 3.9Å; F633-L635 HydrophobicContact CE2-CD2 3.93Å; F633-L635 HydrophobicContact CE2-CG 3.83Å; L635-W640 VanDerWaalsContact C-CG 3.45Å; L635-W640 HydrophobicContact CB-CD2 4.36Å; L635-W640 HydrophobicContact CD2-CD2 4Å; L635-W640 HydrophobicContact CD2-CE3 3.95Å; L635-W640 HydrophobicContact CD2-CH2 3.5Å; L635-W640 HydrophobicContact CD2-CZ2 3.53Å; L635-W640 HydrophobicContact CD2-CZ3 3.7Å; L635-W640 WeakPolarHBondContact O-CB 3.16Å; L635-K648 HydrophobicContact CB-CG 4.34Å; L635-K648 HydrophobicContact CD1-CB 3.96Å; L635-K648 HydrophobicContact CD1-CG 4.2Å; L635-V651 HydrophobicContact CD2-CG1 4.01Å; L635-R652 HydrophobicContact CD1-CG 3.79Å
636	D	77.8	Confident	77.5	Confident	117 Å²	117	61.5 Å²	61.5	63%	0.626	32%	0.321	S	S	*	.			trans	-122.1	165.8	-166.3	-43.1	-88.5	0	0	0	110.4	S634	S634-D636 WeakPolarHBondContact CB-OD2 3.28Å; S634-D636 WeakPolarHBondContact OG-CB 3.2Å; S634-D636 PolarHBondContact OG-N 3.31Å; S634-D636 PolarHBondContact OG-OD2 2.96Å
637	G	80.8	Confident	78.9	Confident	49 Å²	49	59.3 Å²	59.3	51%	0.505	31%	0.306	S	S	.	.	S	Bend	trans	81.9	-178.2	-179.1	0	0	0	0	0	114.2	A639 W640 Q641	G637-A639 VanDerWaalsContact C-N 3.29Å; G637-A639 PolarHBondContact O-N 3.22Å; G637-A639 VanDerWaalsContact O-N 3.14Å; G637-W640 PolarHBondContact O-N 3.15Å; G637-Q641 PolarHBondContact O-N 2.83Å
638	E	79.8	Confident	80	Confident	123 Å²	123	58.1 Å²	58.1	58%	0.575	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.3	-162.4	-74.1	-168	-131	0	0	115.8	W640 R686	E638-W640 VanDerWaalsContact C-N 3.31Å; E638-R686 IonicContact OE2-CZ 2.86Å; E638-R686 IonicContact OE2-NH1 2.72Å; E638-R686 PolarHBondContact OE2-NH1 3.05Å; E638-R686 IonicContact OE2-NH2 2.79Å
639	A	81.7	Confident	81.2	Confident	10 Å²	10	64 Å²	64	8%	0.083	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.3	176.3	0	0	0	0	0	112.8	G637	G637-A639 VanDerWaalsContact C-N 3.29Å; G637-A639 PolarHBondContact O-N 3.22Å; G637-A639 VanDerWaalsContact O-N 3.14Å
640	W	85.6	Confident	82.5	Confident	3 Å²	3	57 Å²	57	1%	0.011	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-2.4	-173.6	-69.2	101.1	0	0	0	114.3	Y600 L603 L635 G637 E638 G642 V643 K648 V651	Y600-W640 HydrophobicContact CD1-CZ2 4.11Å; Y600-W640 AromaticContact CD2-CH2 3.99Å; Y600-W640 HydrophobicContact CD2-CH2 3.99Å; Y600-W640 AromaticContact CD2-CZ2 3.51Å; Y600-W640 HydrophobicContact CD2-CZ2 3.51Å; Y600-W640 AromaticContact CE1-CZ2 3.99Å; Y600-W640 HydrophobicContact CE1-CZ2 3.99Å; Y600-W640 HydrophobicContact CE2-CH2 4.26Å; Y600-W640 AromaticContact CE2-CZ2 3.38Å; Y600-W640 HydrophobicContact CE2-CZ2 3.38Å; Y600-W640 HydrophobicContact CG-CH2 4.28Å; Y600-W640 AromaticContact CG-CZ2 3.85Å; Y600-W640 HydrophobicContact CG-CZ2 3.85Å; Y600-W640 AromaticContact CZ-CZ2 3.61Å; Y600-W640 AromaticContact CZ-NE1 3.82Å; Y600-W640 PolarHBondContact OH-NE1 2.85Å; L603-W640 HydrophobicContact CB-CH2 3.78Å; L603-W640 HydrophobicContact CB-CZ3 3.81Å; L603-W640 HydrophobicContact CD1-CH2 4.17Å; L603-W640 HydrophobicContact CD1-CZ3 3.94Å; L635-W640 VanDerWaalsContact C-CG 3.45Å; L635-W640 HydrophobicContact CB-CD2 4.36Å; L635-W640 HydrophobicContact CD2-CD2 4Å; L635-W640 HydrophobicContact CD2-CE3 3.95Å; L635-W640 HydrophobicContact CD2-CH2 3.5Å; L635-W640 HydrophobicContact CD2-CZ2 3.53Å; L635-W640 HydrophobicContact CD2-CZ3 3.7Å; L635-W640 WeakPolarHBondContact O-CB 3.16Å; G637-W640 PolarHBondContact O-N 3.15Å; E638-W640 VanDerWaalsContact C-N 3.31Å; W640-G642 VanDerWaalsContact C-N 3.29Å; W640-G642 PolarHBondContact O-N 3.23Å; W640-V643 HydrophobicContact CE3-CB 3.87Å; W640-V643 HydrophobicContact CE3-CG1 3.82Å; W640-V643 HydrophobicContact CE3-CG2 3.92Å; W640-V643 HydrophobicContact CZ3-CB 4.37Å; W640-V643 HydrophobicContact CZ3-CG1 3.83Å; W640-V643 HydrophobicContact CZ3-CG2 4.38Å; W640-V643 PolarHBondContact O-N 3.4Å; W640-K648 HydrophobicContact CE3-CG 3.89Å; W640-K648 HydrophobicContact CZ3-CG 4.04Å; W640-K648 PolarHBondContact O-NZ 2.92Å; W640-V651 HydrophobicContact CH2-CG2 4.41Å
641	Q	81.4	Confident	83.4	Confident	145 Å²	145	52.3 Å²	52.3	68%	0.678	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.9	179.3	-74	179.8	-5.9	0	0	113.5	G637	G637-Q641 PolarHBondContact O-N 2.83Å
642	G	79	Confident	84.5	Confident	32 Å²	32	56.4 Å²	56.4	33%	0.33	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.5	178	0	0	0	0	0	115.1	W640	W640-G642 VanDerWaalsContact C-N 3.29Å; W640-G642 PolarHBondContact O-N 3.23Å
643	V	87.6	Confident	85.2	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.042	28%	0.275	C	S	.	.	S	Bend	trans	-104.2	133	-171.2	-177	0	0	0	0	111	E503 L603 W640 A647 K648 L685	E503-V643 WeakPolarHBondContact OE2-CA 3.15Å; L603-V643 HydrophobicContact CB-CG1 4.45Å; L603-V643 HydrophobicContact CB-CG2 4.41Å; L603-V643 HydrophobicContact CD1-CG1 4.16Å; L603-V643 HydrophobicContact CD2-CG1 4.22Å; W640-V643 HydrophobicContact CE3-CB 3.87Å; W640-V643 HydrophobicContact CE3-CG1 3.82Å; W640-V643 HydrophobicContact CE3-CG2 3.92Å; W640-V643 HydrophobicContact CZ3-CB 4.37Å; W640-V643 HydrophobicContact CZ3-CG1 3.83Å; W640-V643 HydrophobicContact CZ3-CG2 4.38Å; W640-V643 PolarHBondContact O-N 3.4Å; V643-A647 HydrophobicContact CG1-CB 3.71Å; V643-K648 HydrophobicContact CG1-CG 4.23Å; V643-K648 WeakPolarHBondContact O-CE 3.04Å; V643-K648 PolarHBondContact O-NZ 2.85Å; V643-L685 HydrophobicContact CG2-CD2 3.77Å
644	S	89.8	Confident	85.5	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.154	27%	0.265	C	S	.	.			trans	-64.4	157.3	180	71.7	0	0	0	0	113.5	E503 E646 A647 K648	E503-S644 VanDerWaalsContact OE1-CB 3.27Å; E503-S644 WeakPolarHBondContact OE1-CB 3.5Å; E503-S644 PolarHBondContact OE1-OG 3.37Å; E503-S644 PolarHBondContact OE2-N 3.48Å; E503-S644 PolarHBondContact OE2-OG 3.35Å; S644-E646 VanDerWaalsContact C-N 3.32Å; S644-E646 WeakPolarHBondContact CB-OE2 3.05Å; S644-A647 PolarHBondContact O-N 3.29Å; S644-A647 WeakPolarHBondContact OG-CB 3.19Å; S644-A647 PolarHBondContact OG-N 3.23Å; S644-K648 WeakPolarHBondContact O-CD 3.36Å; S644-K648 WeakPolarHBondContact O-CG 3.15Å; S644-K648 PolarHBondContact O-N 3.05Å
645	E	87	Confident	85.6	Confident	97 Å²	97	46.4 Å²	46.4	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-72.6	-25.8	175.6	-74.5	-54.3	134.1	0	0	112.5	K648 E649 R652	E645-K648 VanDerWaalsContact CD-CD 3.43Å; E645-K648 CarbonylContact O-C 3.55Å; E645-K648 PolarHBondContact O-N 3.32Å; E645-K648 WeakPolarHBondContact OE1-CD 3.5Å; E645-K648 WeakPolarHBondContact OE1-CE 3.47Å; E645-K648 IonicContact OE1-NZ 3.62Å; E645-K648 PolarHBondContact OE1-NZ 3.39Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-E649 WeakPolarHBondContact O-CB 3.45Å; E645-E649 PolarHBondContact O-N 2.98Å; E645-R652 IonicContact OE2-CZ 2.77Å; E645-R652 VanDerWaalsContact OE2-CZ 3.3Å; E645-R652 IonicContact OE2-NH1 2.86Å; E645-R652 PolarHBondContact OE2-NH1 2.84Å; E645-R652 IonicContact OE2-NH2 3.26Å; E645-R652 PolarHBondContact OE2-NH2 2.93Å
646	E	87.5	Confident	85.6	Confident	60 Å²	60	47.7 Å²	47.7	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-69.4	-38.5	173.9	-56.3	95.7	140.3	0	0	111.7	S644 K648 E649 L650 W673 R680	S644-E646 VanDerWaalsContact C-N 3.32Å; S644-E646 WeakPolarHBondContact CB-OE2 3.05Å; E646-K648 VanDerWaalsContact C-N 3.35Å; E646-E649 PolarHBondContact O-N 3.18Å; E646-L650 PolarHBondContact O-N 3.18Å; E646-W673 HydrophobicContact CB-CB 4.2Å; E646-R680 IonicContact OE1-CZ 2.72Å; E646-R680 IonicContact OE1-NH1 2.89Å; E646-R680 PolarHBondContact OE1-NH1 3.29Å; E646-R680 IonicContact OE1-NH2 3.79Å; E646-R680 PolarHBondContact OE1-NH2 2.93Å; E646-R680 IonicContact OE2-NH1 3.79Å; E646-R680 PolarHBondContact OE2-NH1 3.03Å
647	A	88.3	Confident	85.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-43.7	171.2	0	0	0	0	0	111.5	E503 L603 V643 S644 L650 V651 W673	E503-A647 HydrophobicContact CG-CB 4.48Å; L603-A647 HydrophobicContact CD1-CB 3.9Å; L603-A647 HydrophobicContact CD2-CB 4.43Å; V643-A647 HydrophobicContact CG1-CB 3.71Å; S644-A647 PolarHBondContact O-N 3.29Å; S644-A647 WeakPolarHBondContact OG-CB 3.19Å; S644-A647 PolarHBondContact OG-N 3.23Å; A647-L650 PolarHBondContact O-N 3.14Å; A647-V651 WeakPolarHBondContact O-CG2 3.41Å; A647-V651 PolarHBondContact O-N 3.41Å; A647-V651 VanDerWaalsContact O-N 3.14Å; A647-W673 HydrophobicContact CB-CD2 4.47Å; A647-W673 HydrophobicContact CB-CZ2 4.09Å
648	K	90	Very high	85.2	Confident	19 Å²	19	44.3 Å²	44.3	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-36.6	176	-74.1	162.1	178.5	152.9	0	112.4	L635 W640 V643 S644 E645 E646 V651 R652	L635-K648 HydrophobicContact CB-CG 4.34Å; L635-K648 HydrophobicContact CD1-CB 3.96Å; L635-K648 HydrophobicContact CD1-CG 4.2Å; W640-K648 HydrophobicContact CE3-CG 3.89Å; W640-K648 HydrophobicContact CZ3-CG 4.04Å; W640-K648 PolarHBondContact O-NZ 2.92Å; V643-K648 HydrophobicContact CG1-CG 4.23Å; V643-K648 WeakPolarHBondContact O-CE 3.04Å; V643-K648 PolarHBondContact O-NZ 2.85Å; S644-K648 WeakPolarHBondContact O-CD 3.36Å; S644-K648 WeakPolarHBondContact O-CG 3.15Å; S644-K648 PolarHBondContact O-N 3.05Å; E645-K648 VanDerWaalsContact CD-CD 3.43Å; E645-K648 CarbonylContact O-C 3.55Å; E645-K648 PolarHBondContact O-N 3.32Å; E645-K648 WeakPolarHBondContact OE1-CD 3.5Å; E645-K648 WeakPolarHBondContact OE1-CE 3.47Å; E645-K648 IonicContact OE1-NZ 3.62Å; E645-K648 PolarHBondContact OE1-NZ 3.39Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E646-K648 VanDerWaalsContact C-N 3.35Å; K648-V651 PolarHBondContact O-N 2.82Å; K648-R652 WeakPolarHBondContact O-CG 3.39Å; K648-R652 PolarHBondContact O-N 3.31Å
649	E	89.1	Confident	84.8	Confident	134 Å²	134	39.7 Å²	39.7	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-64.7	-41.5	175.1	-174.5	164.4	-146.2	0	0	112	E645 E646 V651 R652 G653	E645-E649 WeakPolarHBondContact O-CB 3.45Å; E645-E649 PolarHBondContact O-N 2.98Å; E646-E649 PolarHBondContact O-N 3.18Å; E649-V651 PolarHBondContact O-N 2.88Å; E649-R652 WeakPolarHBondContact O-CB 3.09Å; E649-R652 PolarHBondContact O-N 2.98Å; E649-G653 PolarHBondContact O-N 2.89Å
650	L	89.7	Confident	84.5	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-43.1	170.5	-78.8	-177.8	0	0	0	112.7	L599 E646 A647 R652 G653 L654 L663 L668 W673 L674	L599-L650 HydrophobicContact CD2-CB 3.96Å; E646-L650 PolarHBondContact O-N 3.18Å; A647-L650 PolarHBondContact O-N 3.14Å; L650-R652 PolarHBondContact O-N 2.76Å; L650-G653 PolarHBondContact O-N 3.11Å; L650-L654 WeakPolarHBondContact O-CB 3.46Å; L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.16Å; L650-L654 PolarHBondContact O-N 2.69Å; L650-L663 HydrophobicContact CD2-CD2 3.51Å; L650-L668 HydrophobicContact CD2-CD1 3.74Å; L650-W673 HydrophobicContact CD1-CB 3.87Å; L650-W673 HydrophobicContact CD1-CD2 3.94Å; L650-W673 HydrophobicContact CD1-CE3 3.4Å; L650-W673 VanDerWaalsContact CD1-CE3 3.4Å; L650-W673 HydrophobicContact CD1-CG 4.15Å; L650-W673 HydrophobicContact CD1-CZ3 4.21Å; L650-L674 HydrophobicContact CD1-CG 4.4Å
651	V	89.2	Confident	84.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-42.3	175	176.6	0	0	0	0	111.2	L599 Y600 L603 F633 L635 W640 A647 K648 E649 L655	L599-V651 HydrophobicContact CB-CG2 4.35Å; L599-V651 HydrophobicContact CD2-CG2 3.6Å; L599-V651 HydrophobicContact CG-CG2 3.7Å; Y600-V651 HydrophobicContact CD2-CG1 3.92Å; L603-V651 HydrophobicContact CD1-CG2 3.94Å; F633-V651 HydrophobicContact CE2-CG1 3.8Å; F633-V651 HydrophobicContact CZ-CG1 4.26Å; L635-V651 HydrophobicContact CD2-CG1 4.01Å; W640-V651 HydrophobicContact CH2-CG2 4.41Å; A647-V651 WeakPolarHBondContact O-CG2 3.41Å; A647-V651 PolarHBondContact O-N 3.41Å; A647-V651 VanDerWaalsContact O-N 3.14Å; K648-V651 PolarHBondContact O-N 2.82Å; E649-V651 PolarHBondContact O-N 2.88Å; V651-L655 HydrophobicContact CG1-CD1 3.78Å; V651-L655 HydrophobicContact CG1-CG 4.35Å; V651-L655 VanDerWaalsContact O-CB 3.28Å; V651-L655 WeakPolarHBondContact O-CB 3.44Å; V651-L655 WeakPolarHBondContact O-CG 3.3Å; V651-L655 PolarHBondContact O-N 2.69Å
652	R	90.6	Very high	84.6	Confident	108 Å²	108	45 Å²	45	41%	0.408	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-45.2	174	-66.7	161.9	-170.3	136.1	-1.6	111.7	L635 E645 K648 E649 L650 T656	L635-R652 HydrophobicContact CD1-CG 3.79Å; E645-R652 IonicContact OE2-CZ 2.77Å; E645-R652 VanDerWaalsContact OE2-CZ 3.3Å; E645-R652 IonicContact OE2-NH1 2.86Å; E645-R652 PolarHBondContact OE2-NH1 2.84Å; E645-R652 IonicContact OE2-NH2 3.26Å; E645-R652 PolarHBondContact OE2-NH2 2.93Å; K648-R652 WeakPolarHBondContact O-CG 3.39Å; K648-R652 PolarHBondContact O-N 3.31Å; E649-R652 WeakPolarHBondContact O-CB 3.09Å; E649-R652 PolarHBondContact O-N 2.98Å; L650-R652 PolarHBondContact O-N 2.76Å; R652-T656 PolarHBondContact O-N 3.48Å; R652-T656 PolarHBondContact O-OG1 3.02Å
653	G	88.3	Confident	84.9	Confident	18 Å²	18	45.4 Å²	45.4	19%	0.186	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-40.9	-179.7	0	0	0	0	0	113.9	E649 L650 T656 R662 L663	E649-G653 PolarHBondContact O-N 2.89Å; L650-G653 PolarHBondContact O-N 3.11Å; G653-T656 WeakPolarHBondContact O-CB 3.22Å; G653-T656 PolarHBondContact O-OG1 3.02Å; G653-R662 WeakPolarHBondContact O-CG 3.41Å; G653-L663 WeakPolarHBondContact O-CB 3.45Å; G653-L663 PolarHBondContact O-N 2.76Å
654	L	86.4	Confident	84.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-77.6	-37	179.4	-64.9	170.9	0	0	0	112.5	L592 L595 G596 L599 L650 T656 R662 L663 L668	L592-L654 HydrophobicContact CB-CD2 4.26Å; L595-L654 HydrophobicContact CB-CD1 4.5Å; G596-L654 VanDerWaalsContact CA-CB 3.47Å; L599-L654 HydrophobicContact CD2-CD1 4.3Å; L650-L654 WeakPolarHBondContact O-CB 3.46Å; L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.16Å; L650-L654 PolarHBondContact O-N 2.69Å; L654-T656 PolarHBondContact O-N 3.42Å; L654-R662 VanDerWaalsContact O-CD 3.3Å; L654-R662 WeakPolarHBondContact O-CD 3.3Å; L654-L663 HydrophobicContact CD2-CB 4.28Å; L654-L663 HydrophobicContact CD2-CD2 4.24Å; L654-L663 HydrophobicContact CG-CD2 4.32Å; L654-L668 HydrophobicContact CD1-CD1 4.24Å; L654-L668 HydrophobicContact CD2-CD1 4.24Å; L654-L668 HydrophobicContact CD2-CD2 3.94Å
655	L	84.1	Confident	84.6	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	22.4	175.4	-59.3	-176.7	0	0	0	113.4	W593 V597 Y600 P608 F609 F633 V651	W593-L655 HydrophobicContact CD2-CD2 3.96Å; W593-L655 HydrophobicContact CE3-CD2 4.31Å; W593-L655 HydrophobicContact CG-CD2 4.32Å; W593-L655 HydrophobicContact CZ2-CD2 4.36Å; W593-L655 HydrophobicContact CZ3-CB 4.36Å; W593-L655 WeakPolarHBondContact CZ3-O 3.41Å; V597-L655 HydrophobicContact CG2-CD2 3.57Å; Y600-L655 HydrophobicContact CD2-CD1 4.5Å; P608-L655 HydrophobicContact CB-CD1 3.82Å; P608-L655 HydrophobicContact CG-CD1 4.12Å; F609-L655 HydrophobicContact CE2-CD2 4.49Å; F609-L655 HydrophobicContact CZ-CD1 4.44Å; F633-L655 HydrophobicContact CD1-CB 4.26Å; F633-L655 HydrophobicContact CD1-CD1 4.09Å; F633-L655 HydrophobicContact CD2-CD1 4.33Å; F633-L655 HydrophobicContact CE1-CB 3.46Å; F633-L655 VanDerWaalsContact CE1-CB 3.46Å; F633-L655 HydrophobicContact CE1-CD1 3.89Å; F633-L655 HydrophobicContact CE1-CG 4.33Å; F633-L655 HydrophobicContact CE2-CD1 4.12Å; F633-L655 HydrophobicContact CG-CD1 4.31Å; F633-L655 HydrophobicContact CZ-CB 3.73Å; F633-L655 HydrophobicContact CZ-CD1 3.9Å; F633-L655 HydrophobicContact CZ-CG 4.39Å; V651-L655 HydrophobicContact CG1-CD1 3.78Å; V651-L655 HydrophobicContact CG1-CG 4.35Å; V651-L655 VanDerWaalsContact O-CB 3.28Å; V651-L655 WeakPolarHBondContact O-CB 3.44Å; V651-L655 WeakPolarHBondContact O-CG 3.3Å; V651-L655 PolarHBondContact O-N 2.69Å
656	T	85.1	Confident	84.4	Confident	43 Å²	43	50.4 Å²	50.4	26%	0.264	25%	0.252	S	S	.	.			trans	-72.6	126.5	171.4	-74.4	0	0	0	0	110.5	R652 G653 L654 D658 K661 R662	R652-T656 PolarHBondContact O-N 3.48Å; R652-T656 PolarHBondContact O-OG1 3.02Å; G653-T656 WeakPolarHBondContact O-CB 3.22Å; G653-T656 PolarHBondContact O-OG1 3.02Å; L654-T656 PolarHBondContact O-N 3.42Å; T656-D658 PolarHBondContact O-N 3.13Å; T656-K661 HydrophobicContact CG2-CB 4.09Å; T656-R662 HydrophobicContact CG2-CB 4.38Å; T656-R662 PolarHBondContact O-NE 2.74Å; T656-R662 PolarHBondContact O-NH2 3.21Å
657	V	76	Confident	84.2	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.279	26%	0.255	S	S	.	.	S	Bend	trans	-64.1	-39.4	-172	176.1	0	0	0	0	112.8	P578 G631 R662	P578-V657 HydrophobicContact CB-CG1 3.74Å; P578-V657 HydrophobicContact CG-CB 4.31Å; P578-V657 HydrophobicContact CG-CG1 3.95Å; P578-V657 HydrophobicContact CG-CG2 4.42Å; G631-V657 VanDerWaalsContact CA-CG2 3.42Å; G631-V657 VanDerWaalsContact N-CG2 3.33Å; V657-R662 PolarHBondContact O-NH2 2.81Å; V657-R662 VanDerWaalsContact O-NH2 3.15Å
658	D	73.5	Confident	84	Confident	50 Å²	50	49.2 Å²	49.2	27%	0.267	26%	0.255	S	S	.	.			trans	-84.9	114.6	-178.5	-178.9	-19.3	0	0	0	110.5	T656 T660 K661 R662	T656-D658 PolarHBondContact O-N 3.13Å; D658-T660 VanDerWaalsContact CG-OG1 3.32Å; D658-T660 PolarHBondContact O-N 3.24Å; D658-T660 WeakPolarHBondContact OD1-CB 3.03Å; D658-T660 PolarHBondContact OD1-N 3.23Å; D658-T660 PolarHBondContact OD1-OG1 2.95Å; D658-T660 PolarHBondContact OD2-OG1 3.03Å; D658-K661 HydrophobicContact CB-CB 4.25Å; D658-K661 HydrophobicContact CB-CG 4.3Å; D658-K661 CarbonylContact O-C 3.57Å; D658-K661 PolarHBondContact O-N 3.45Å; D658-K661 IonicContact OD2-NZ 3.49Å; D658-K661 PolarHBondContact OD2-NZ 3.21Å; D658-R662 PolarHBondContact O-N 2.87Å
659	P	71.9	Confident	83.7	Confident	26 Å²	26	53.6 Å²	53.6	17%	0.169	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	-177.5	29.5	-38.7	0	0	0	113.8	E579 S589 K661 K664	E579-P659 HydrophobicContact CB-CB 4.48Å; E579-P659 HydrophobicContact CB-CG 3.76Å; E579-P659 HydrophobicContact CG-CB 4.01Å; E579-P659 HydrophobicContact CG-CG 3.81Å; S589-P659 VanDerWaalsContact OG-CB 3.28Å; S589-P659 WeakPolarHBondContact OG-CB 3.39Å; P659-K661 VanDerWaalsContact C-N 3.3Å; P659-K664 VanDerWaalsContact O-CE 3.3Å; P659-K664 WeakPolarHBondContact O-CE 3.44Å; P659-K664 PolarHBondContact O-NZ 2.95Å
660	T	74.4	Confident	83.3	Confident	112 Å²	112	52.7 Å²	52.7	69%	0.687	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.1	176.6	71.4	0	0	0	0	112	D658	D658-T660 VanDerWaalsContact CG-OG1 3.32Å; D658-T660 PolarHBondContact O-N 3.24Å; D658-T660 WeakPolarHBondContact OD1-CB 3.03Å; D658-T660 PolarHBondContact OD1-N 3.23Å; D658-T660 PolarHBondContact OD1-OG1 2.95Å; D658-T660 PolarHBondContact OD2-OG1 3.03Å
661	K	81.4	Confident	83	Confident	153 Å²	153	52.9 Å²	52.9	67%	0.665	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-12.2	177.4	-56.5	-171.2	-177.7	82.4	0	113.5	T656 D658 P659	T656-K661 HydrophobicContact CG2-CB 4.09Å; D658-K661 HydrophobicContact CB-CB 4.25Å; D658-K661 HydrophobicContact CB-CG 4.3Å; D658-K661 CarbonylContact O-C 3.57Å; D658-K661 PolarHBondContact O-N 3.45Å; D658-K661 IonicContact OD2-NZ 3.49Å; D658-K661 PolarHBondContact OD2-NZ 3.21Å; P659-K661 VanDerWaalsContact C-N 3.3Å
662	R	87.1	Confident	82.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.015	29%	0.294	C	S	.	.	S	Bend	trans	-62.5	141.2	176.4	-171.5	179.4	-56.5	129.6	16.7	110.5	E579 S589 G653 L654 T656 V657 D658 K664	E579-R662 IonicContact OE1-CZ 3.36Å; E579-R662 IonicContact OE1-NH1 2.69Å; E579-R662 PolarHBondContact OE1-NH1 3.42Å; E579-R662 IonicContact OE1-NH2 2.74Å; E579-R662 IonicContact OE2-CZ 2.68Å; E579-R662 IonicContact OE2-NH1 3.71Å; E579-R662 PolarHBondContact OE2-NH1 3.05Å; E579-R662 IonicContact OE2-NH2 2.85Å; E579-R662 PolarHBondContact OE2-NH2 3.06Å; S589-R662 PolarHBondContact O-NH1 3.33Å; S589-R662 PolarHBondContact OG-NH1 3.29Å; G653-R662 WeakPolarHBondContact O-CG 3.41Å; L654-R662 VanDerWaalsContact O-CD 3.3Å; L654-R662 WeakPolarHBondContact O-CD 3.3Å; T656-R662 HydrophobicContact CG2-CB 4.38Å; T656-R662 PolarHBondContact O-NE 2.74Å; T656-R662 PolarHBondContact O-NH2 3.21Å; V657-R662 PolarHBondContact O-NH2 2.81Å; V657-R662 VanDerWaalsContact O-NH2 3.15Å; D658-R662 PolarHBondContact O-N 2.87Å; R662-K664 PolarHBondContact O-N 3.18Å; R662-K664 VanDerWaalsContact O-N 3.11Å
663	L	86.3	Confident	82.3	Confident	40 Å²	40	51.3 Å²	51.3	21%	0.209	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-53.1	116.7	175.4	-174.2	62.4	0	0	0	110.3	L592 L650 G653 L654 L668	L592-L663 WeakPolarHBondContact CD1-O 3.23Å; L650-L663 HydrophobicContact CD2-CD2 3.51Å; G653-L663 WeakPolarHBondContact O-CB 3.45Å; G653-L663 PolarHBondContact O-N 2.76Å; L654-L663 HydrophobicContact CD2-CB 4.28Å; L654-L663 HydrophobicContact CD2-CD2 4.24Å; L654-L663 HydrophobicContact CG-CD2 4.32Å; L663-L668 HydrophobicContact CD2-CB 4.27Å; L663-L668 HydrophobicContact CD2-CD1 3.87Å; L663-L668 HydrophobicContact CG-CB 4.28Å
664	K	86.6	Confident	82	Confident	72 Å²	72	50.9 Å²	50.9	31%	0.313	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-85.5	167.6	177.3	-60.2	-60.1	-165.3	177.8	0	110.6	D587 P659 R662 E666 G667 L668	D587-K664 IonicContact OD2-NZ 2.72Å; D587-K664 PolarHBondContact OD2-NZ 3.37Å; P659-K664 VanDerWaalsContact O-CE 3.3Å; P659-K664 WeakPolarHBondContact O-CE 3.44Å; P659-K664 PolarHBondContact O-NZ 2.95Å; R662-K664 PolarHBondContact O-N 3.18Å; R662-K664 VanDerWaalsContact O-N 3.11Å; K664-E666 VanDerWaalsContact C-N 3.27Å; K664-E666 PolarHBondContact O-N 2.99Å; K664-G667 PolarHBondContact O-N 2.9Å; K664-L668 WeakPolarHBondContact O-CB 3.16Å; K664-L668 PolarHBondContact O-N 3.14Å
665	L	84.4	Confident	81.5	Confident	17 Å²	17	56.4 Å²	56.4	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-55.1	-37.8	-176	-79.5	172.4	0	0	0	114.2	H521 L592 L668 R669	H521-L665 HydrophobicContact CB-CD1 3.95Å; H521-L665 WeakPolarHBondContact ND1-CD1 3.29Å; L592-L665 HydrophobicContact CD1-CG 4.31Å; L592-L665 HydrophobicContact CD2-CD2 3.52Å; L592-L665 HydrophobicContact CD2-CG 3.84Å; L665-L668 PolarHBondContact O-N 3.46Å; L665-R669 WeakPolarHBondContact O-CG 3.43Å; L665-R669 PolarHBondContact O-N 3.47Å
666	E	82.7	Confident	80.6	Confident	143 Å²	143	60.9 Å²	60.9	67%	0.668	32%	0.32	S	S	*	.	H	α-helix	trans	-58.4	-62.6	177.1	-63.1	167	173.8	0	0	110.9	K664 L668 R669 D670	K664-E666 VanDerWaalsContact C-N 3.27Å; K664-E666 PolarHBondContact O-N 2.99Å; E666-L668 PolarHBondContact O-N 3.26Å; E666-L668 VanDerWaalsContact O-N 3.08Å; E666-R669 WeakPolarHBondContact O-CB 3.21Å; E666-R669 PolarHBondContact O-N 3.22Å; E666-R669 VanDerWaalsContact O-N 3.07Å; E666-D670 PolarHBondContact O-N 3.21Å
667	G	82.5	Confident	79.1	Confident	35 Å²	35	59.3 Å²	59.3	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-18.5	177.5	0	0	0	0	0	114.7	K664 S671	K664-G667 PolarHBondContact O-N 2.9Å; G667-S671 PolarHBondContact O-N 3.17Å
668	L	84.9	Confident	77.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-77.8	-46.3	172.1	-173.1	58.3	0	0	0	111.3	V514 L595 L650 L654 L663 K664 L665 E666 D670 S671 L674	V514-L668 HydrophobicContact CB-CD2 4.45Å; V514-L668 HydrophobicContact CG1-CD2 4.06Å; V514-L668 HydrophobicContact CG1-CG 4.15Å; V514-L668 HydrophobicContact CG2-CD2 3.5Å; V514-L668 VanDerWaalsContact CG2-CD2 3.5Å; V514-L668 HydrophobicContact CG2-CG 3.92Å; L595-L668 HydrophobicContact CD1-CD2 4.39Å; L650-L668 HydrophobicContact CD2-CD1 3.74Å; L654-L668 HydrophobicContact CD1-CD1 4.24Å; L654-L668 HydrophobicContact CD2-CD1 4.24Å; L654-L668 HydrophobicContact CD2-CD2 3.94Å; L663-L668 HydrophobicContact CD2-CB 4.27Å; L663-L668 HydrophobicContact CD2-CD1 3.87Å; L663-L668 HydrophobicContact CG-CB 4.28Å; K664-L668 WeakPolarHBondContact O-CB 3.16Å; K664-L668 PolarHBondContact O-N 3.14Å; L665-L668 PolarHBondContact O-N 3.46Å; E666-L668 PolarHBondContact O-N 3.26Å; E666-L668 VanDerWaalsContact O-N 3.08Å; L668-D670 PolarHBondContact O-N 3.1Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.22Å; L668-S671 PolarHBondContact O-OG 3.35Å; L668-L674 HydrophobicContact CD1-CD1 3.77Å; L668-L674 HydrophobicContact CG-CD1 3.99Å; L668-L674 WeakPolarHBondContact O-CD1 3.2Å
669	R	83.3	Confident	76.7	Confident	110 Å²	110	64.1 Å²	64.1	42%	0.415	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-38.3	171.4	-75.3	166.2	159.6	173.5	-7.9	111.8	S518 E522 L665 E666 S671 Q675	S518-R669 PolarHBondContact OG-NE 3.05Å; S518-R669 PolarHBondContact OG-NH2 2.84Å; E522-R669 VanDerWaalsContact CD-NH2 3.31Å; E522-R669 IonicContact OE1-CZ 2.96Å; E522-R669 VanDerWaalsContact OE1-CZ 3.28Å; E522-R669 IonicContact OE1-NH1 2.72Å; E522-R669 PolarHBondContact OE1-NH1 3.28Å; E522-R669 IonicContact OE1-NH2 2.75Å; E522-R669 PolarHBondContact OE1-NH2 3.21Å; E522-R669 IonicContact OE2-CZ 3.72Å; E522-R669 IonicContact OE2-NH1 3.74Å; E522-R669 PolarHBondContact OE2-NH1 3.18Å; E522-R669 IonicContact OE2-NH2 2.71Å; E522-R669 PolarHBondContact OE2-NH2 2.96Å; L665-R669 WeakPolarHBondContact O-CG 3.43Å; L665-R669 PolarHBondContact O-N 3.47Å; E666-R669 WeakPolarHBondContact O-CB 3.21Å; E666-R669 PolarHBondContact O-N 3.22Å; E666-R669 VanDerWaalsContact O-N 3.07Å; R669-S671 VanDerWaalsContact C-N 3.28Å; R669-S671 PolarHBondContact O-N 3.27Å; R669-Q675 PolarHBondContact O-NE2 2.77Å
670	D	80.1	Confident	75.9	Confident	115 Å²	115	67.9 Å²	67.9	62%	0.615	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.7	-177.8	-66.1	-22.1	0	0	0	114.2	E666 L668 S672	E666-D670 PolarHBondContact O-N 3.21Å; L668-D670 PolarHBondContact O-N 3.1Å; D670-S672 PolarHBondContact O-N 3.16Å
671	S	83.4	Confident	74.9	Confident	16 Å²	16	68.8 Å²	68.8	11%	0.112	38%	0.378	C	S	.	.			trans	-73.3	127.4	-178.6	66.9	0	0	0	0	112.6	G667 L668 R669 W673 L674 Q675	G667-S671 PolarHBondContact O-N 3.17Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.22Å; L668-S671 PolarHBondContact O-OG 3.35Å; R669-S671 VanDerWaalsContact C-N 3.28Å; R669-S671 PolarHBondContact O-N 3.27Å; S671-W673 PolarHBondContact O-N 2.7Å; S671-W673 VanDerWaalsContact O-N 3.14Å; S671-L674 PolarHBondContact O-N 3.01Å; S671-L674 WeakPolarHBondContact OG-CB 3.18Å; S671-Q675 PolarHBondContact O-N 2.99Å
672	S	79.6	Confident	74	Confident	62 Å²	62	62.9 Å²	62.9	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-55.1	-33.7	179.6	55.7	0	0	0	0	113.2	D670 L674 Q675 D676	D670-S672 PolarHBondContact O-N 3.16Å; S672-L674 VanDerWaalsContact C-N 3.32Å; S672-L674 PolarHBondContact O-N 3.32Å; S672-Q675 PolarHBondContact O-N 3.11Å; S672-D676 PolarHBondContact O-N 2.98Å
673	W	86	Confident	73.3	Confident	13 Å²	13	66.1 Å²	66.1	5%	0.049	38%	0.378	C	S	.	.	H	α-helix	trans	-66.4	-29.1	176	-170	86.2	0	0	0	114	E503 A506 S507 L510 L599 L603 E646 A647 L650 S671	E503-W673 HydrophobicContact CG-CZ2 3.64Å; E503-W673 PolarHBondContact OE1-NE1 3.02Å; A506-W673 HydrophobicContact CB-CH2 4.28Å; S507-W673 VanDerWaalsContact CA-CZ3 3.48Å; S507-W673 PolarHBondContact OG-O 2.76Å; L510-W673 HydrophobicContact CB-CZ3 4.22Å; L510-W673 HydrophobicContact CD2-CE3 4.42Å; L510-W673 HydrophobicContact CD2-CZ3 3.71Å; L599-W673 HydrophobicContact CD1-CH2 3.64Å; L599-W673 HydrophobicContact CD1-CZ3 4.02Å; L603-W673 HydrophobicContact CD2-CZ2 4.19Å; E646-W673 HydrophobicContact CB-CB 4.2Å; A647-W673 HydrophobicContact CB-CD2 4.47Å; A647-W673 HydrophobicContact CB-CZ2 4.09Å; L650-W673 HydrophobicContact CD1-CB 3.87Å; L650-W673 HydrophobicContact CD1-CD2 3.94Å; L650-W673 HydrophobicContact CD1-CE3 3.4Å; L650-W673 VanDerWaalsContact CD1-CE3 3.4Å; L650-W673 HydrophobicContact CD1-CG 4.15Å; L650-W673 HydrophobicContact CD1-CZ3 4.21Å; S671-W673 PolarHBondContact O-N 2.7Å; S671-W673 VanDerWaalsContact O-N 3.14Å
674	L	82.8	Confident	72.9	Confident	8 Å²	8	68 Å²	68	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-87.4	-20.4	171.2	-78.4	176.3	0	0	0	113.1	S507 L510 R511 V514 L650 L668 S671 S672	S507-L674 WeakPolarHBondContact O-CD2 3.31Å; L510-L674 HydrophobicContact CB-CD2 4.05Å; L510-L674 HydrophobicContact CD2-CD1 4.16Å; L510-L674 HydrophobicContact CD2-CD2 4.03Å; L510-L674 HydrophobicContact CD2-CG 4.36Å; L510-L674 HydrophobicContact CG-CD2 4.17Å; R511-L674 HydrophobicContact CB-CD2 3.94Å; R511-L674 PolarHBondContact NE-O 2.96Å; R511-L674 PolarHBondContact NH2-O 3.3Å; V514-L674 HydrophobicContact CG2-CD1 4.14Å; L650-L674 HydrophobicContact CD1-CG 4.4Å; L668-L674 HydrophobicContact CD1-CD1 3.77Å; L668-L674 HydrophobicContact CG-CD1 3.99Å; L668-L674 WeakPolarHBondContact O-CD1 3.2Å; S671-L674 PolarHBondContact O-N 3.01Å; S671-L674 WeakPolarHBondContact OG-CB 3.18Å; S672-L674 VanDerWaalsContact C-N 3.32Å; S672-L674 PolarHBondContact O-N 3.32Å
675	Q	75.1	Confident	72.8	Confident	116 Å²	116	64.9 Å²	64.9	54%	0.542	38%	0.379	S	S	.	.	H	α-helix	trans	-89.1	-57	178.1	-62.5	-169.9	3.7	0	0	113	R669 S671 S672 G677	R669-Q675 PolarHBondContact O-NE2 2.77Å; S671-Q675 PolarHBondContact O-N 2.99Å; S672-Q675 PolarHBondContact O-N 3.11Å; Q675-G677 PolarHBondContact O-N 3.41Å; Q675-G677 VanDerWaalsContact O-N 3.1Å
676	D	65	Low	72.6	Confident	98 Å²	98	69.5 Å²	69.5	52%	0.524	40%	0.395	S	S	.	.	S	Bend	trans	-83.9	22.9	-172.5	-74.5	-39.2	0	0	0	114.9	S672 S678 A679	S672-D676 PolarHBondContact O-N 2.98Å; D676-S678 PolarHBondContact O-N 3.18Å; D676-A679 PolarHBondContact O-N 3.16Å
677	G	54.2	Low	72.4	Confident	10 Å²	10	62.7 Å²	62.7	10%	0.103	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-7.4	-172	0	0	0	0	0	116.1	S504 Q675	S504-G677 WeakPolarHBondContact CB-O 3.33Å; S504-G677 PolarHBondContact OG-O 2.86Å; Q675-G677 PolarHBondContact O-N 3.41Å; Q675-G677 VanDerWaalsContact O-N 3.1Å
678	S	49.9	Very low	72.3	Confident	117 Å²	117	61.4 Å²	61.4	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-17.4	175.4	54	0	0	0	0	114.3	D676	D676-S678 PolarHBondContact O-N 3.18Å
679	A	48.8	Very low	71.9	Confident	80 Å²	80	66.2 Å²	66.2	66%	0.661	38%	0.375	S	S	*	.	S	Bend	trans	-94.8	-8.9	-169.9	0	0	0	0	0	114.7	D676	D676-A679 PolarHBondContact O-N 3.16Å
680	R	55.6	Low	71.6	Confident	105 Å²	105	62 Å²	62	40%	0.396	36%	0.361	S	S	.	.			trans	-107.9	111.5	-174	-64.9	-174.3	178.7	-149.3	-2.3	112	E646 S682	E646-R680 IonicContact OE1-CZ 2.72Å; E646-R680 IonicContact OE1-NH1 2.89Å; E646-R680 PolarHBondContact OE1-NH1 3.29Å; E646-R680 IonicContact OE1-NH2 3.79Å; E646-R680 PolarHBondContact OE1-NH2 2.93Å; E646-R680 IonicContact OE2-NH1 3.79Å; E646-R680 PolarHBondContact OE2-NH1 3.03Å; R680-S682 PolarHBondContact O-N 3.42Å
681	S	53.3	Low	71.2	Confident	130 Å²	130	57 Å²	57	91%	0.909	33%	0.334	S	S	*	.			trans	-74.7	65.7	168.1	178.2	0	0	0	0	110.7
682	S	62.2	Low	70.6	Confident	30 Å²	30	62.8 Å²	62.8	21%	0.21	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.9	144.1	179.2	-56.8	0	0	0	0	111.6	R680	R680-S682 PolarHBondContact O-N 3.42Å
683	P	71.8	Confident	69.7	Low	72 Å²	72	64.4 Å²	64.4	47%	0.468	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.7	158.9	171.3	28.8	-35.4	0	0	0	111	L685	P683-L685 PolarHBondContact O-N 3.18Å
684	P	79.3	Confident	68.2	Low	78 Å²	78	65.8 Å²	65.8	51%	0.506	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-61.9	132.4	173	26.6	-33.8	0	0	0	110.5	H500	H500-P684 HydrophobicContact CB-CB 4.33Å
685	L	83.4	Confident	66.8	Low	7 Å²	7	66.1 Å²	66.1	4%	0.037	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-69.6	143.3	172.5	-60.3	173.1	0	0	0	109.5	F501 E503 A506 L603 V643 P683 T687 P688	F501-L685 HydrophobicContact CD1-CD1 3.84Å; F501-L685 HydrophobicContact CE1-CD1 3.95Å; F501-L685 WeakPolarHBondContact O-CB 3.32Å; F501-L685 PolarHBondContact O-N 2.88Å; E503-L685 HydrophobicContact CB-CD2 4.43Å; A506-L685 HydrophobicContact CB-CD1 4.47Å; L603-L685 HydrophobicContact CD2-CD1 4.2Å; V643-L685 HydrophobicContact CG2-CD2 3.77Å; P683-L685 PolarHBondContact O-N 3.18Å; L685-T687 PolarHBondContact O-N 3.33Å; L685-T687 VanDerWaalsContact O-N 3.16Å; L685-P688 VanDerWaalsContact O-CD 3.23Å; L685-P688 WeakPolarHBondContact O-CD 3.46Å
686	R	81.5	Confident	65.4	Low	114 Å²	114	65.9 Å²	65.9	43%	0.43	40%	0.396	S	S	.	.	S	Bend	trans	-73.6	3.6	173.7	-71.1	-178.8	167.5	-159.6	3.3	113.8	E638 P688 D689 V690	E638-R686 IonicContact OE2-CZ 2.86Å; E638-R686 IonicContact OE2-NH1 2.72Å; E638-R686 PolarHBondContact OE2-NH1 3.05Å; E638-R686 IonicContact OE2-NH2 2.79Å; R686-P688 VanDerWaalsContact C-CD 3.48Å; R686-D689 PolarHBondContact O-N 3.06Å; R686-V690 HydrophobicContact CB-CG2 4.34Å; R686-V690 WeakPolarHBondContact O-CG2 3.13Å; R686-V690 PolarHBondContact O-N 3.2Å
687	T	78.3	Confident	64.5	Low	0 Å²	0	64.3 Å²	64.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-50.4	-44.8	-179.4	-54	0	0	0	0	113.7	I495 F501 M602 L603 L685 L691	I495-T687 HydrophobicContact CG2-CG2 3.64Å; F501-T687 HydrophobicContact CD1-CG2 4.49Å; M602-T687 WeakPolarHBondContact O-CB 3.13Å; M602-T687 VanDerWaalsContact O-CG2 3.29Å; M602-T687 WeakPolarHBondContact O-CG2 3.43Å; M602-T687 PolarHBondContact O-OG1 2.93Å; L603-T687 PolarHBondContact O-OG1 3.36Å; L685-T687 PolarHBondContact O-N 3.33Å; L685-T687 VanDerWaalsContact O-N 3.16Å; T687-L691 HydrophobicContact CG2-CD1 3.81Å; T687-L691 HydrophobicContact CG2-CG 4.29Å; T687-L691 WeakPolarHBondContact O-CB 2.58Å; T687-L691 VanDerWaalsContact O-CG 3.22Å; T687-L691 WeakPolarHBondContact O-CG 3.42Å; T687-L691 PolarHBondContact O-N 3.05Å
688	P	78.9	Confident	64.3	Low	9 Å²	9	64.3 Å²	64.3	6%	0.058	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-47.3	178.1	-21.1	34.7	0	0	0	112.4	K498 F501 L685 R686 V690 L691 E692	K498-P688 VanDerWaalsContact O-CB 3.24Å; K498-P688 WeakPolarHBondContact O-CB 3.4Å; K498-P688 WeakPolarHBondContact O-CG 3.33Å; F501-P688 HydrophobicContact CB-CG 3.87Å; L685-P688 VanDerWaalsContact O-CD 3.23Å; L685-P688 WeakPolarHBondContact O-CD 3.46Å; R686-P688 VanDerWaalsContact C-CD 3.48Å; P688-V690 VanDerWaalsContact C-N 3.34Å; P688-V690 PolarHBondContact O-N 2.89Å; P688-L691 PolarHBondContact O-N 3.16Å; P688-E692 PolarHBondContact O-N 3.3Å
689	D	78	Confident	64.1	Low	101 Å²	101	65.7 Å²	65.7	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-41.5	179.6	-47.5	-48.2	0	0	0	111.8	R686 E692 S693	R686-D689 PolarHBondContact O-N 3.06Å; D689-E692 PolarHBondContact O-N 3.31Å; D689-S693 WeakPolarHBondContact O-CB 2.91Å; D689-S693 PolarHBondContact O-N 3.3Å; D689-S693 PolarHBondContact O-OG 3.32Å
690	V	75.6	Confident	63.7	Low	22 Å²	22	65.4 Å²	65.4	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-67.7	-40.5	177.6	174.9	0	0	0	0	110.8	S604 Q606 R686 P688 S693 S694	S604-V690 WeakPolarHBondContact O-CG1 3.1Å; Q606-V690 HydrophobicContact CG-CG1 4.02Å; R686-V690 HydrophobicContact CB-CG2 4.34Å; R686-V690 WeakPolarHBondContact O-CG2 3.13Å; R686-V690 PolarHBondContact O-N 3.2Å; P688-V690 VanDerWaalsContact C-N 3.34Å; P688-V690 PolarHBondContact O-N 2.89Å; V690-S693 WeakPolarHBondContact CA-OG 3.37Å; V690-S693 PolarHBondContact O-OG 3.23Å; V690-S694 WeakPolarHBondContact O-CA 3.12Å; V690-S694 WeakPolarHBondContact O-CB 3.3Å; V690-S694 PolarHBondContact O-N 3.44Å; V690-S694 PolarHBondContact O-OG 3.34Å
691	L	71.7	Confident	63.1	Low	9 Å²	9	61 Å²	61	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-70.9	-32.5	176.4	-71.2	175.2	0	0	0	112.8	L492 I495 R496 T687 P688 G695 V698	L492-L691 HydrophobicContact CB-CD1 4.46Å; L492-L691 HydrophobicContact CD2-CD1 4.3Å; I495-L691 HydrophobicContact CB-CD1 4.45Å; I495-L691 HydrophobicContact CG2-CD1 4.14Å; R496-L691 HydrophobicContact CB-CB 4.03Å; R496-L691 HydrophobicContact CB-CD1 4.35Å; R496-L691 WeakPolarHBondContact CD-O 2.46Å; R496-L691 HydrophobicContact CG-CB 3.86Å; T687-L691 HydrophobicContact CG2-CD1 3.81Å; T687-L691 HydrophobicContact CG2-CG 4.29Å; T687-L691 WeakPolarHBondContact O-CB 2.58Å; T687-L691 VanDerWaalsContact O-CG 3.22Å; T687-L691 WeakPolarHBondContact O-CG 3.42Å; T687-L691 PolarHBondContact O-N 3.05Å; P688-L691 PolarHBondContact O-N 3.16Å; L691-G695 VanDerWaalsContact O-CA 3.28Å; L691-G695 WeakPolarHBondContact O-CA 3.26Å; L691-G695 PolarHBondContact O-N 3.4Å; L691-V698 HydrophobicContact CD2-CG2 4.46Å
692	E	70.7	Confident	62.7	Low	138 Å²	138	55.7 Å²	55.7	65%	0.645	32%	0.324	S	S	*	.	H	α-helix	trans	-70	-48.3	173.8	-176.5	162.1	-117.5	0	0	111.5	P688 D689 S694	P688-E692 PolarHBondContact O-N 3.3Å; D689-E692 PolarHBondContact O-N 3.31Å; E692-S694 PolarHBondContact O-N 2.86Å
693	S	61.2	Low	61.4	Low	96 Å²	96	59.1 Å²	59.1	67%	0.671	34%	0.34	S	S	*	.	H	α-helix	trans	-68.4	-30.1	178	57.9	0	0	0	0	114.2	D689 V690	D689-S693 WeakPolarHBondContact O-CB 2.91Å; D689-S693 PolarHBondContact O-N 3.3Å; D689-S693 PolarHBondContact O-OG 3.32Å; V690-S693 WeakPolarHBondContact CA-OG 3.37Å; V690-S693 PolarHBondContact O-OG 3.23Å
694	S	54.9	Low	59.7	Low	41 Å²	41	56.5 Å²	56.5	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-113.2	1.5	-169.8	-47.9	0	0	0	0	114.9	V690 E692 A697 V698	V690-S694 WeakPolarHBondContact O-CA 3.12Å; V690-S694 WeakPolarHBondContact O-CB 3.3Å; V690-S694 PolarHBondContact O-N 3.44Å; V690-S694 PolarHBondContact O-OG 3.34Å; E692-S694 PolarHBondContact O-N 2.86Å; S694-A697 WeakPolarHBondContact O-CA 3.37Å; S694-A697 WeakPolarHBondContact O-CB 3.44Å; S694-A697 PolarHBondContact O-N 2.83Å; S694-V698 PolarHBondContact O-N 3.45Å
695	G	52.6	Low	57.6	Low	15 Å²	15	53.6 Å²	53.6	16%	0.155	31%	0.306	C	S	.	.	H	α-helix	trans	-44.1	-52.3	-168.4	0	0	0	0	0	116.3	L691 A697 R699	L691-G695 VanDerWaalsContact O-CA 3.28Å; L691-G695 WeakPolarHBondContact O-CA 3.26Å; L691-G695 PolarHBondContact O-N 3.4Å; G695-A697 VanDerWaalsContact C-N 3.34Å; G695-A697 PolarHBondContact O-N 2.69Å; G695-R699 PolarHBondContact O-N 3Å
696	P	47.5	Very low	55.2	Low	111 Å²	111	57 Å²	57	72%	0.721	32%	0.32	S	S	*	.	H	α-helix	trans	-64.6	-35.2	177	-22.1	34	0	0	0	113.6	S700	P696-S700 WeakPolarHBondContact O-CB 3.03Å; P696-S700 PolarHBondContact O-N 3.4Å
697	A	46	Very low	52.8	Low	65 Å²	65	56.3 Å²	56.3	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-73.5	-36.8	-179.1	0	0	0	0	0	112.1	S694 G695 S700 G701	S694-A697 WeakPolarHBondContact O-CA 3.37Å; S694-A697 WeakPolarHBondContact O-CB 3.44Å; S694-A697 PolarHBondContact O-N 2.83Å; G695-A697 VanDerWaalsContact C-N 3.34Å; G695-A697 PolarHBondContact O-N 2.69Å; A697-S700 PolarHBondContact O-N 2.93Å; A697-G701 PolarHBondContact O-N 3.13Å
698	V	49.3	Very low	50.6	Low	11 Å²	11	56.9 Å²	56.9	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-50	173.6	175.8	0	0	0	0	110.3	M601 V607 L691 S694 S700 G701 L702	M601-V698 HydrophobicContact CE-CG1 3.94Å; V607-V698 HydrophobicContact CG1-CG1 4.39Å; L691-V698 HydrophobicContact CD2-CG2 4.46Å; S694-V698 PolarHBondContact O-N 3.45Å; V698-S700 VanDerWaalsContact C-N 3.28Å; V698-S700 PolarHBondContact O-N 3.48Å; V698-G701 PolarHBondContact O-N 2.83Å; V698-L702 HydrophobicContact CG1-CD1 4.37Å; V698-L702 WeakPolarHBondContact O-CG 3.42Å; V698-L702 PolarHBondContact O-N 3.22Å; V698-L702 VanDerWaalsContact O-N 3.11Å
699	R	46.5	Very low	48.2	Very low	145 Å²	145	58.5 Å²	58.5	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-35	175.3	-62.8	-178	-168.4	177.5	4.1	112.5	E493 G695 N703	E493-R699 IonicContact OE1-CZ 2.75Å; E493-R699 IonicContact OE1-NE 3.3Å; E493-R699 IonicContact OE1-NH2 3.49Å; E493-R699 PolarHBondContact OE1-NH2 2.89Å; G695-R699 PolarHBondContact O-N 3Å; R699-N703 PolarHBondContact O-N 3.12Å; R699-N703 PolarHBondContact O-ND2 3.08Å
700	S	40.1	Very low	45.8	Very low	75 Å²	75	58.3 Å²	58.3	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-71	-36.7	175.2	-167.8	0	0	0	0	113	P696 A697 V698 N703 A704	P696-S700 WeakPolarHBondContact O-CB 3.03Å; P696-S700 PolarHBondContact O-N 3.4Å; A697-S700 PolarHBondContact O-N 2.93Å; V698-S700 VanDerWaalsContact C-N 3.28Å; V698-S700 PolarHBondContact O-N 3.48Å; S700-N703 PolarHBondContact O-N 3.5Å; S700-A704 PolarHBondContact O-N 3.28Å
701	G	41.4	Very low	43.6	Very low	13 Å²	13	63.1 Å²	63.1	13%	0.134	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-43.3	178.2	0	0	0	0	0	112.6	A697 V698 N703 A704 T705	A697-G701 PolarHBondContact O-N 3.13Å; V698-G701 PolarHBondContact O-N 2.83Å; G701-N703 VanDerWaalsContact C-N 3.34Å; G701-N703 PolarHBondContact O-N 2.88Å; G701-A704 WeakPolarHBondContact O-CB 3.49Å; G701-A704 PolarHBondContact O-N 3.39Å; G701-A704 VanDerWaalsContact O-N 3.12Å; G701-T705 PolarHBondContact O-N 3.02Å; G701-T705 VanDerWaalsContact O-N 3.1Å; G701-T705 PolarHBondContact O-OG1 3.16Å
702	L	44.9	Very low	41.4	Very low	17 Å²	17	65.6 Å²	65.6	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-55.9	-47.7	173.4	-69.1	167.3	0	0	0	111.6	M601 V607 V698 A704 T705 F706	M601-L702 HydrophobicContact CE-CD1 4.21Å; M601-L702 HydrophobicContact CE-CD2 4.37Å; M601-L702 HydrophobicContact SD-CD2 4.41Å; V607-L702 HydrophobicContact CG1-CD2 3.92Å; V607-L702 HydrophobicContact CG1-CG 4.24Å; V698-L702 HydrophobicContact CG1-CD1 4.37Å; V698-L702 WeakPolarHBondContact O-CG 3.42Å; V698-L702 PolarHBondContact O-N 3.22Å; V698-L702 VanDerWaalsContact O-N 3.11Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 2.82Å; L702-T705 PolarHBondContact O-N 2.67Å; L702-F706 PolarHBondContact O-N 3.21Å; L702-F706 VanDerWaalsContact O-N 3.11Å
703	N	36.6	Very low	39.2	Very low	103 Å²	103	64.5 Å²	64.5	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-64.6	-30.7	176	-81.4	-74.5	0	0	0	113.9	R699 S700 G701 M707	R699-N703 PolarHBondContact O-N 3.12Å; R699-N703 PolarHBondContact O-ND2 3.08Å; S700-N703 PolarHBondContact O-N 3.5Å; G701-N703 VanDerWaalsContact C-N 3.34Å; G701-N703 PolarHBondContact O-N 2.88Å; N703-M707 PolarHBondContact O-N 3.3Å
704	A	34.6	Very low	37.5	Very low	16 Å²	16	63.9 Å²	63.9	13%	0.132	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-41.3	176.1	0	0	0	0	0	112.2	I624 S700 G701 L702 M707	I624-A704 HydrophobicContact CD1-CB 4.34Å; S700-A704 PolarHBondContact O-N 3.28Å; G701-A704 WeakPolarHBondContact O-CB 3.49Å; G701-A704 PolarHBondContact O-N 3.39Å; G701-A704 VanDerWaalsContact O-N 3.12Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 2.82Å; A704-M707 PolarHBondContact O-N 3.37Å
705	T	36.5	Very low	36.1	Very low	18 Å²	18	64.7 Å²	64.7	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-47.3	172.2	-55.4	0	0	0	0	111.3	I624 I628 G701 L702 M707 A708	I624-T705 HydrophobicContact CG2-CG2 3.86Å; I628-T705 HydrophobicContact CD1-CG2 4.17Å; G701-T705 PolarHBondContact O-N 3.02Å; G701-T705 VanDerWaalsContact O-N 3.1Å; G701-T705 PolarHBondContact O-OG1 3.16Å; L702-T705 PolarHBondContact O-N 2.67Å; T705-M707 VanDerWaalsContact C-N 3.29Å; T705-M707 PolarHBondContact O-N 3.19Å; T705-A708 VanDerWaalsContact O-CB 3.26Å; T705-A708 WeakPolarHBondContact O-CB 3.39Å; T705-A708 PolarHBondContact O-N 2.77Å
706	F	33.2	Very low	34.7	Very low	77 Å²	77	64.4 Å²	64.4	34%	0.338	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-35.4	-179.8	175	-96.4	0	0	0	114	L573 L702 A708 N710	L573-F706 HydrophobicContact CB-CD2 3.99Å; L573-F706 HydrophobicContact CB-CE2 4.48Å; L702-F706 PolarHBondContact O-N 3.21Å; L702-F706 VanDerWaalsContact O-N 3.11Å; F706-A708 VanDerWaalsContact C-N 3.27Å; F706-A708 PolarHBondContact O-N 2.78Å; F706-N710 PolarHBondContact O-ND2 3.27Å; F706-N710 VanDerWaalsContact O-ND2 3.15Å
707	M	30.8	Very low	33.6	Very low	100 Å²	100	59.2 Å²	59.2	49%	0.493	32%	0.315	S	S	.	.	H	α-helix	trans	-69.4	-19	176.2	-80.8	-82.2	171.2	0	0	114.2	K154 N703 A704 T705	K154-M707 PolarHBondContact NZ-SD 3.14Å; K154-M707 VanDerWaalsContact NZ-SD 3.37Å; N703-M707 PolarHBondContact O-N 3.3Å; A704-M707 PolarHBondContact O-N 3.37Å; T705-M707 VanDerWaalsContact C-N 3.29Å; T705-M707 PolarHBondContact O-N 3.19Å
708	A	31.3	Very low	32.6	Very low	13 Å²	13	56.7 Å²	56.7	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-84	-45.9	-168.1	0	0	0	0	0	113.6	A621 M625 T705 F706	A621-A708 HydrophobicContact CB-CB 3.56Å; A621-A708 VanDerWaalsContact O-CB 3.24Å; A621-A708 WeakPolarHBondContact O-CB 3.19Å; M625-A708 HydrophobicContact CG-CB 3.35Å; M625-A708 HydrophobicContact SD-CB 4.01Å; T705-A708 VanDerWaalsContact O-CB 3.26Å; T705-A708 WeakPolarHBondContact O-CB 3.39Å; T705-A708 PolarHBondContact O-N 2.77Å; F706-A708 VanDerWaalsContact C-N 3.27Å; F706-A708 PolarHBondContact O-N 2.78Å
709	F	29.9	Very low	31.3	Very low	43 Å²	43	56.4 Å²	56.4	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-76.2	-30.8	-172.4	-170.1	-60.4	0	0	0	111.8	L573 A576 L580 L581 M625 R711 G712	L573-F709 HydrophobicContact CD1-CD1 3.7Å; L573-F709 HydrophobicContact CD1-CE1 3.88Å; L573-F709 HydrophobicContact CD1-CG 4.26Å; L573-F709 HydrophobicContact CD2-CB 3.57Å; L573-F709 HydrophobicContact CD2-CD1 3.74Å; L573-F709 HydrophobicContact CD2-CG 3.91Å; L573-F709 HydrophobicContact CG-CB 3.78Å; L573-F709 HydrophobicContact CG-CD1 3.63Å; L573-F709 HydrophobicContact CG-CD2 4.37Å; L573-F709 HydrophobicContact CG-CE1 4.26Å; L573-F709 HydrophobicContact CG-CG 3.71Å; A576-F709 HydrophobicContact CB-CE2 3.79Å; A576-F709 HydrophobicContact CB-CZ 4.09Å; L580-F709 HydrophobicContact CB-CZ 3.87Å; L581-F709 HydrophobicContact CD2-CD2 3.59Å; L581-F709 HydrophobicContact CD2-CE1 4.34Å; L581-F709 HydrophobicContact CD2-CE2 3.33Å; L581-F709 HydrophobicContact CD2-CG 4.21Å; L581-F709 HydrophobicContact CD2-CZ 3.74Å; L581-F709 HydrophobicContact CG-CE2 3.99Å; L581-F709 HydrophobicContact CG-CZ 4.42Å; M625-F709 HydrophobicContact CE-CB 4.07Å; M625-F709 HydrophobicContact CE-CD2 4.22Å; M625-F709 HydrophobicContact CE-CG 4.27Å; M625-F709 HydrophobicContact SD-CB 3.9Å; M625-F709 HydrophobicContact SD-CD2 4.16Å; M625-F709 HydrophobicContact SD-CG 4.41Å; F709-R711 PolarHBondContact O-N 2.75Å; F709-G712 PolarHBondContact O-N 2.9Å
710	N	26.6	Very low	30.2	Very low	97 Å²	97	54.5 Å²	54.5	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.1	179.7	-86	-45.5	0	0	0	115.5	L573 F706 G712	L573-N710 HydrophobicContact CD2-CB 4.19Å; L573-N710 VanDerWaalsContact CD2-ND2 3.34Å; L573-N710 WeakPolarHBondContact CD2-ND2 3.49Å; L573-N710 WeakPolarHBondContact CD2-OD1 3.44Å; F706-N710 PolarHBondContact O-ND2 3.27Å; F706-N710 VanDerWaalsContact O-ND2 3.15Å; N710-G712 PolarHBondContact O-N 3.03Å
711	R	29.1	Very low	29.8	Very low	122 Å²	122	53 Å²	53	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.6	176.9	-74.1	-171.8	171.5	-151.2	-3.3	114.3	E150 Q290 F709 K713	E150-R711 IonicContact OE1-NH2 3.97Å; E150-R711 PolarHBondContact OE1-NH2 3.02Å; Q290-R711 PolarHBondContact O-NH1 3.19Å; F709-R711 PolarHBondContact O-N 2.75Å; R711-K713 PolarHBondContact O-N 3.44Å
712	G	25.4	Very low	29.2	Very low	62 Å²	62	56.1 Å²	56.1	64%	0.639	29%	0.291	S	S	*	.			trans	-76.1	-14.3	-161.3	0	0	0	0	0	119	F709 N710	F709-G712 PolarHBondContact O-N 2.9Å; N710-G712 PolarHBondContact O-N 3.03Å
713	K	24.7	Very low	28.4	Very low	114 Å²	114	62 Å²	62	50%	0.496	32%	0.318	S	S	.	.			trans	-141	111.8	-170.4	-82.3	-176.1	-178.3	171.7	0	115.7	R711	R711-K713 PolarHBondContact O-N 3.44Å
714	R	25.4	Very low	28	Very low	83 Å²	83	63.4 Å²	63.4	31%	0.313	33%	0.326	S	S	.	.				60.5	121.8	106.9	-94.1	-163	176.6	-147.5	-10.4	118.2	T188 E189 E190	T188-R714 VanDerWaalsContact CA-C 3.46Å; T188-R714 WeakPolarHBondContact CA-O 3.24Å; T188-R714 HydrophobicContact CG2-CB 3.87Å; T188-R714 PolarHBondContact N-O 2.9Å; E189-R714 HydrophobicContact CB-CG 3.7Å; E189-R714 HydrophobicContact CG-CG 3.71Å; E189-R714 VanDerWaalsContact N-CG 3.32Å; E189-R714 PolarHBondContact O-NH1 2.95Å; E189-R714 PolarHBondContact O-NH2 2.69Å; E189-R714 WeakPolarHBondContact OE1-CG 3.22Å; E189-R714 WeakPolarHBondContact OE2-CG 3.37Å; E189-R714 IonicContact OE2-CZ 3.66Å; E189-R714 IonicContact OE2-NE 3.59Å; E189-R714 PolarHBondContact OE2-NE 3.27Å; E189-R714 IonicContact OE2-NH2 2.81Å; E190-R714 IonicContact OE1-CZ 3.71Å; E190-R714 IonicContact OE1-NH1 3.23Å; E190-R714 PolarHBondContact OE1-NH1 3.46Å; E190-R714 IonicContact OE1-NH2 2.68Å; E190-R714 PolarHBondContact OE1-NH2 2.69Å
715	E	25.2	Very low	28	Very low	59 Å²	59	64.5 Å²	64.5	28%	0.276	34%	0.335	S	S	.	.			cis	-175.4	151.5	-26.7	-161.5	-168.6	-131.2	0	0	109.2	F186 L187 T188 E189	F186-E715 CarbonylContact C-O 3.57Å; F186-E715 VanDerWaalsContact CB-C 3.43Å; F186-E715 WeakPolarHBondContact CB-O 3.12Å; F186-E715 WeakPolarHBondContact CD1-O 3.32Å; F186-E715 WeakPolarHBondContact CG-O 3.13Å; L187-E715 CarbonylContact C-O 3.57Å; L187-E715 PolarHBondContact N-O 2.67Å; T188-E715 PolarHBondContact N-O 2.81Å; E189-E715 WeakPolarHBondContact CA-OE2 3.37Å; E189-E715 HydrophobicContact CB-CB 4.14Å; E189-E715 HydrophobicContact CG-CB 3.82Å; E189-E715 VanDerWaalsContact CG-CD 3.46Å; E189-E715 HydrophobicContact CG-CG 3.91Å; E189-E715 WeakPolarHBondContact CG-OE1 3.3Å
716	G	23.7	Very low	27.7	Very low	8 Å²	8	65.1 Å²	65.1	8%	0.082	34%	0.339	C	S	.	.			trans	109.3	0	143.3	0	0	0	0	0	132.6	K184 F186	K184-G716 VanDerWaalsContact CE-O 3.26Å; K184-G716 WeakPolarHBondContact CE-O 3.28Å; F186-G716 VanDerWaalsContact CB-CA 3.47Å; F186-G716 VanDerWaalsContact CB-N 3.26Å; F186-G716 VanDerWaalsContact CD1-N 3.27Å; F186-G716 WeakPolarHBondContact CD1-O 3.16Å; F186-G716 WeakPolarHBondContact CD2-O 3.31Å; F186-G716 WeakPolarHBondContact CE1-O 3.22Å; F186-G716 VanDerWaalsContact CE2-N 3.27Å; F186-G716 WeakPolarHBondContact CG-O 3.37Å; F186-G716 WeakPolarHBondContact CZ-O 3.17Å
717	F	24.2	Very low	27.8	Very low	3 Å²	3	62.6 Å²	62.6	1%	0.013	33%	0.329	C	S	.	.				0	159.2	0	-78.3	-52.9	0	0	0	127.8	I158 R160 K184 F186 T194 H215 G216 V219	I158-F717 HydrophobicContact CB-CE1 4.27Å; I158-F717 HydrophobicContact CB-CZ 4.46Å; I158-F717 HydrophobicContact CD1-CD1 4.2Å; I158-F717 HydrophobicContact CD1-CD2 3.84Å; I158-F717 HydrophobicContact CD1-CE1 3.94Å; I158-F717 HydrophobicContact CD1-CE2 3.4Å; I158-F717 VanDerWaalsContact CD1-CE2 3.4Å; I158-F717 HydrophobicContact CD1-CG 4.18Å; I158-F717 HydrophobicContact CD1-CZ 3.5Å; I158-F717 HydrophobicContact CG2-CE1 3.86Å; I158-F717 HydrophobicContact CG2-CZ 3.85Å; R160-F717 HydrophobicContact CG-CD1 4.28Å; R160-F717 HydrophobicContact CG-CE1 3.75Å; K184-F717 VanDerWaalsContact CD-O 3.25Å; K184-F717 WeakPolarHBondContact CD-O 3.43Å; K184-F717 WeakPolarHBondContact CE-O 3.26Å; K184-F717 PolarHBondContact NZ-O 3.2Å; F186-F717 HydrophobicContact CE2-CB 3.49Å; F186-F717 VanDerWaalsContact CE2-CB 3.49Å; F186-F717 AromaticContact CE2-CD2 3.29Å; F186-F717 HydrophobicContact CE2-CD2 3.29Å; F186-F717 HydrophobicContact CE2-CE2 4.17Å; F186-F717 AromaticContact CE2-CG 3.6Å; F186-F717 HydrophobicContact CE2-CG 3.6Å; F186-F717 VanDerWaalsContact CG-N 3.27Å; F186-F717 HydrophobicContact CZ-CB 3.57Å; F186-F717 HydrophobicContact CZ-CD2 4Å; F186-F717 HydrophobicContact CZ-CG 4.22Å; T194-F717 HydrophobicContact CG2-CB 3.93Å; T194-F717 WeakPolarHBondContact CG2-O 3.38Å; T194-F717 WeakPolarHBondContact OG1-CB 3.44Å; H215-F717 HydrophobicContact CB-CD2 4.41Å; H215-F717 HydrophobicContact CB-CE2 3.79Å; H215-F717 HydrophobicContact CB-CZ 4.06Å; H215-F717 VanDerWaalsContact O-CD2 3.3Å; H215-F717 WeakPolarHBondContact O-CD2 3.12Å; H215-F717 WeakPolarHBondContact O-CE2 3.49Å; G216-F717 WeakPolarHBondContact O-CE2 3.43Å; G216-F717 WeakPolarHBondContact O-CZ 3.35Å; V219-F717 HydrophobicContact CG1-CZ 4.11Å; V219-F717 HydrophobicContact CG2-CE1 3.94Å; V219-F717 HydrophobicContact CG2-CZ 3.63Å
718	F	24.3	Very low	28.1	Very low	11 Å²	11	60.4 Å²	60.4	5%	0.048	33%	0.327	C	S	.	.			cis	-147.1	-136.7	17.1	-86.2	-44.7	0	0	0	116.9	R160 T194 F195 S196 A213 H215	R160-F718 PolarHBondContact NH1-O 3.45Å; R160-F718 PolarHBondContact NH2-O 3.08Å; T194-F718 VanDerWaalsContact C-CD2 3.47Å; T194-F718 VanDerWaalsContact O-CE2 3.28Å; T194-F718 WeakPolarHBondContact O-CE2 3.34Å; T194-F718 WeakPolarHBondContact OG1-CD2 3.43Å; T194-F718 WeakPolarHBondContact OG1-CE2 3.09Å; F195-F718 VanDerWaalsContact C-CD2 3.42Å; S196-F718 VanDerWaalsContact N-CD2 3.31Å; S196-F718 WeakPolarHBondContact OG-CB 3.28Å; A213-F718 WeakPolarHBondContact O-CE2 3.34Å; H215-F718 HydrophobicContact CB-CE1 4.08Å; H215-F718 HydrophobicContact CB-CZ 3.98Å; H215-F718 AromaticContact CD2-CE1 3.17Å; H215-F718 WeakPolarHBondContact CD2-CE1 3.19Å; H215-F718 AromaticContact CD2-CZ 3.22Å; H215-F718 WeakPolarHBondContact CD2-CZ 3.47Å; H215-F718 AromaticContact CE1-CZ 3.63Å; H215-F718 AromaticContact CG-CE1 3.72Å; H215-F718 AromaticContact CG-CZ 3.44Å; H215-F718 VanDerWaalsContact CG-CZ 3.44Å; H215-F718 AromaticContact ND1-CZ 3.71Å; H215-F718 AromaticContact NE2-CE1 3.59Å; H215-F718 AromaticContact NE2-CZ 3.31Å; H215-F718 VanDerWaalsContact NE2-CZ 3.31Å; H215-F718 WeakPolarHBondContact NE2-CZ 3.22Å
719	L	23.6	Very low	28.2	Very low	5 Å²	5	64.6 Å²	64.6	3%	0.026	34%	0.343	C	S	.	.				-152.6	149.8	-119	-59.7	150.3	0	0	0	115.5	R160 S196 F197 C198	R160-L719 HydrophobicContact CB-CD2 3.98Å; S196-L719 WeakPolarHBondContact CB-O 3.2Å; S196-L719 PolarHBondContact OG-N 3.23Å; S196-L719 PolarHBondContact OG-O 3.34Å; F197-L719 PolarHBondContact N-O 3.31Å; C198-L719 HydrophobicContact CB-CB 3.61Å; C198-L719 HydrophobicContact CB-CD2 4.1Å; C198-L719 HydrophobicContact CB-CG 4.39Å; C198-L719 VanDerWaalsContact N-CB 3.35Å; C198-L719 VanDerWaalsContact SG-CB 3.51Å; C198-L719 WeakPolarHBondContact SG-CD2 3.5Å
720	K	23.6	Very low	28.5	Very low	105 Å²	105	68.7 Å²	68.7	46%	0.457	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-168	152	140.8	-82.3	-120.3	67.9	147.5	0	115.2	Y44 R75 F197 C198	Y44-K720 PolarHBondContact OH-O 2.78Å; R75-K720 PolarHBondContact NH1-O 3.42Å; R75-K720 PolarHBondContact NH2-O 2.92Å; F197-K720 HydrophobicContact CB-CD 4.33Å; F197-K720 VanDerWaalsContact O-CA 3.3Å; F197-K720 WeakPolarHBondContact O-CA 3.46Å; F197-K720 WeakPolarHBondContact O-CE 3.33Å; F197-K720 VanDerWaalsContact O-CG 3.32Å; F197-K720 WeakPolarHBondContact O-CG 3.37Å; C198-K720 VanDerWaalsContact CB-C 3.45Å; C198-K720 VanDerWaalsContact CB-N 3.32Å
721	S	31	Very low	29.2	Very low	43 Å²	43	68 Å²	68	30%	0.301	35%	0.347	S	S	.	.			trans	-122.7	168.8	-154.7	-162.7	0	0	0	0	118	G199	G199-S721 WeakPolarHBondContact O-CB 3.19Å; G199-S721 PolarHBondContact O-OG 2.9Å
722	V	28.1	Very low	29.6	Very low	79 Å²	79	69.5 Å²	69.5	48%	0.479	36%	0.357	S	S	.	.			trans	-154.8	120.1	164.9	-176.5	0	0	0	0	108.3	A43	A43-V722 HydrophobicContact CB-CB 4.25Å; A43-V722 HydrophobicContact CB-CG2 4.46Å
723	E	28.2	Very low	29.9	Very low	140 Å²	140	72.6 Å²	72.6	65%	0.654	36%	0.355	S	S	*	.				94	-10.6	53.4	-96.4	-177.7	-137.2	0	0	119.5	Q247	Q247-E723 VanDerWaalsContact NE2-CD 3.28Å; Q247-E723 PolarHBondContact NE2-OE1 2.99Å
724	N	29.2	Very low	30.5	Very low	133 Å²	133	73.2 Å²	73.2	71%	0.711	36%	0.357	S	S	*	.			trans	-123.3	14.4	-172.4	-80.3	-61.2	0	0	0	117.7
725	A	33.8	Very low	31.1	Very low	39 Å²	39	74.2 Å²	74.2	32%	0.322	37%	0.369	S	S	.	.			trans	-68.5	152.3	-174.4	0	0	0	0	0	115	L727 A728	A725-L727 PolarHBondContact O-N 3.36Å; A725-A728 WeakPolarHBondContact O-CB 3.41Å; A725-A728 PolarHBondContact O-N 2.93Å
726	P	30.9	Very low	31.5	Very low	31 Å²	31	81.4 Å²	81.4	20%	0.201	39%	0.393	C	S	.	.	H	α-helix	trans	-69.2	-26.2	-170.3	-22.8	36.2	0	0	0	115.8	E334 F335 A728 K729 R730	E334-P726 HydrophobicContact CG-CG 4.31Å; E334-P726 WeakPolarHBondContact OE1-CG 3.42Å; E334-P726 VanDerWaalsContact OE2-CB 3.32Å; E334-P726 WeakPolarHBondContact OE2-CB 3.47Å; F335-P726 HydrophobicContact CZ-CG 4.09Å; P726-A728 PolarHBondContact O-N 3.41Å; P726-K729 WeakPolarHBondContact O-CA 3.46Å; P726-K729 WeakPolarHBondContact O-CB 3.46Å; P726-K729 PolarHBondContact O-N 3.48Å; P726-R730 PolarHBondContact O-N 3.22Å
727	L	33.8	Very low	31.9	Very low	25 Å²	25	84.4 Å²	84.4	13%	0.131	41%	0.413	C	S	.	.	H	α-helix	trans	-53.3	-39.3	173.1	-77.9	71.1	0	0	0	111.2	F124 E165 A725 K729 R730 R731	F124-L727 HydrophobicContact CD1-CD1 3.85Å; F124-L727 HydrophobicContact CD2-CD1 3.97Å; F124-L727 HydrophobicContact CD2-CD2 3.84Å; F124-L727 HydrophobicContact CD2-CG 4.11Å; F124-L727 HydrophobicContact CE1-CD1 3.6Å; F124-L727 HydrophobicContact CE1-CG 4.19Å; F124-L727 HydrophobicContact CE2-CD1 3.74Å; F124-L727 HydrophobicContact CE2-CD2 3.59Å; F124-L727 HydrophobicContact CE2-CG 3.54Å; F124-L727 HydrophobicContact CG-CD1 4.04Å; F124-L727 HydrophobicContact CZ-CD1 3.55Å; F124-L727 HydrophobicContact CZ-CD2 4.19Å; F124-L727 HydrophobicContact CZ-CG 3.6Å; E165-L727 HydrophobicContact CG-CD1 4.43Å; A725-L727 PolarHBondContact O-N 3.36Å; L727-K729 VanDerWaalsContact C-N 3.26Å; L727-K729 PolarHBondContact O-N 2.81Å; L727-R730 PolarHBondContact O-N 2.88Å; L727-R731 WeakPolarHBondContact O-CB 3.33Å; L727-R731 WeakPolarHBondContact O-CG 3.42Å; L727-R731 PolarHBondContact O-N 3.02Å
728	A	37.6	Very low	32.5	Very low	53 Å²	53	87.6 Å²	87.6	44%	0.438	44%	0.44	S	S	.	.	H	α-helix	trans	-65.5	-28.6	177.7	0	0	0	0	0	112.7	A725 P726 K732	A725-A728 WeakPolarHBondContact O-CB 3.41Å; A725-A728 PolarHBondContact O-N 2.93Å; P726-A728 PolarHBondContact O-N 3.41Å; A728-K732 WeakPolarHBondContact O-CB 3.48Å; A728-K732 WeakPolarHBondContact O-CG 3.3Å; A728-K732 PolarHBondContact O-N 2.95Å
729	K	34.3	Very low	33	Very low	102 Å²	102	92.2 Å²	92.2	44%	0.443	47%	0.469	S	S	.	.	H	α-helix	trans	-74	-46.7	172.6	-54.5	174.7	-168.6	164	0	110.8	E334 P726 L727 R731 K732 Q733	E334-K729 IonicContact OE1-NZ 2.69Å; E334-K729 PolarHBondContact OE1-NZ 2.87Å; P726-K729 WeakPolarHBondContact O-CA 3.46Å; P726-K729 WeakPolarHBondContact O-CB 3.46Å; P726-K729 PolarHBondContact O-N 3.48Å; L727-K729 VanDerWaalsContact C-N 3.26Å; L727-K729 PolarHBondContact O-N 2.81Å; K729-R731 PolarHBondContact O-N 3.19Å; K729-K732 CarbonylContact O-C 3.56Å; K729-K732 WeakPolarHBondContact O-CA 3.33Å; K729-K732 WeakPolarHBondContact O-CB 3.34Å; K729-K732 PolarHBondContact O-N 3.09Å; K729-K732 VanDerWaalsContact O-N 3.11Å; K729-Q733 WeakPolarHBondContact O-CG 3.43Å; K729-Q733 PolarHBondContact O-N 2.86Å
730	R	36.4	Very low	33.5	Very low	128 Å²	128	95.3 Å²	95.3	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-39.8	179.4	-116.7	176.2	-178.3	168	0.9	112.6	Y128 P726 L727 K732 Q733 K734	Y128-R730 VanDerWaalsContact CZ-CZ 3.42Å; Y128-R730 PolarHBondContact OH-NH2 3.14Å; P726-R730 PolarHBondContact O-N 3.22Å; L727-R730 PolarHBondContact O-N 2.88Å; R730-K732 VanDerWaalsContact C-N 3.32Å; R730-K732 PolarHBondContact O-N 3.14Å; R730-Q733 PolarHBondContact O-N 3.42Å; R730-Q733 VanDerWaalsContact O-N 3.11Å; R730-K734 PolarHBondContact O-N 3.41Å
731	R	40.4	Very low	34	Very low	83 Å²	83	95.5 Å²	95.5	31%	0.313	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-35.7	170.7	-71.6	175.2	179.5	163.7	-7.5	112.4	E202 L727 K729	E202-R731 IonicContact OE1-CZ 3.28Å; E202-R731 IonicContact OE1-NH1 3.2Å; E202-R731 PolarHBondContact OE1-NH1 3.24Å; E202-R731 IonicContact OE2-CZ 3.85Å; E202-R731 IonicContact OE2-NH1 3.37Å; E202-R731 PolarHBondContact OE2-NH1 2.9Å; E202-R731 IonicContact OE2-NH2 3.3Å; E202-R731 PolarHBondContact OE2-NH2 3.12Å; L727-R731 WeakPolarHBondContact O-CB 3.33Å; L727-R731 WeakPolarHBondContact O-CG 3.42Å; L727-R731 PolarHBondContact O-N 3.02Å; K729-R731 PolarHBondContact O-N 3.19Å
732	K	38.2	Very low	34.2	Very low	154 Å²	154	104.6 Å²	104.6	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-70.6	-29.1	170.4	-86.5	178.9	174.5	174.3	0	113.9	A728 K729 R730 L735	A728-K732 WeakPolarHBondContact O-CB 3.48Å; A728-K732 WeakPolarHBondContact O-CG 3.3Å; A728-K732 PolarHBondContact O-N 2.95Å; K729-K732 CarbonylContact O-C 3.56Å; K729-K732 WeakPolarHBondContact O-CA 3.33Å; K729-K732 WeakPolarHBondContact O-CB 3.34Å; K729-K732 PolarHBondContact O-N 3.09Å; K729-K732 VanDerWaalsContact O-N 3.11Å; R730-K732 VanDerWaalsContact C-N 3.32Å; R730-K732 PolarHBondContact O-N 3.14Å; K732-L735 WeakPolarHBondContact O-CB 3.41Å
733	Q	31.9	Very low	34.8	Very low	127 Å²	127	112 Å²	112	59%	0.593	56%	0.557	S	S	*	*	H	α-helix	trans	-77.2	-42.8	179.4	-76.6	173.3	-25.9	0	0	112.7	K729 R730 L735 R736 S737	K729-Q733 WeakPolarHBondContact O-CG 3.43Å; K729-Q733 PolarHBondContact O-N 2.86Å; R730-Q733 PolarHBondContact O-N 3.42Å; R730-Q733 VanDerWaalsContact O-N 3.11Å; Q733-L735 PolarHBondContact O-N 2.99Å; Q733-R736 PolarHBondContact O-N 3.01Å; Q733-S737 PolarHBondContact O-N 3.31Å
734	K	37.5	Very low	34.8	Very low	126 Å²	126	109 Å²	109	55%	0.548	56%	0.563	S	S	.	*	H	α-helix	trans	-53.4	-36	168.8	-104.9	-172.4	166.2	-170.6	0	111.8	E241 R730 R736 S737 A738	E241-K734 IonicContact OE1-NZ 2.83Å; E241-K734 PolarHBondContact OE1-NZ 2.64Å; E241-K734 IonicContact OE2-NZ 3.73Å; R730-K734 PolarHBondContact O-N 3.41Å; K734-R736 PolarHBondContact O-N 2.69Å; K734-S737 PolarHBondContact O-N 2.94Å; K734-S737 PolarHBondContact O-OG 2.94Å; K734-A738 WeakPolarHBondContact O-CB 3.33Å; K734-A738 PolarHBondContact O-N 3.38Å
735	L	37.3	Very low	34.7	Very low	105 Å²	105	108.4 Å²	108.4	55%	0.55	57%	0.57	S	S	.	*	H	α-helix	trans	-59.1	-26	176	-136.9	79.9	0	0	0	114.1	K732 Q733 T739	K732-L735 WeakPolarHBondContact O-CB 3.41Å; Q733-L735 PolarHBondContact O-N 2.99Å; L735-T739 PolarHBondContact O-OG1 2.92Å; L735-T739 VanDerWaalsContact O-OG1 3.08Å
736	R	33	Very low	34.8	Very low	209 Å²	209	112.8 Å²	112.8	79%	0.789	60%	0.595	S	S	*	*	H	α-helix	trans	-98.8	-32.2	-179.6	-77.9	-176.9	162.2	-171.2	-5.9	113.9	Q733 K734 T739 A740	Q733-R736 PolarHBondContact O-N 3.01Å; K734-R736 PolarHBondContact O-N 2.69Å; R736-T739 PolarHBondContact O-OG1 2.82Å; R736-T739 VanDerWaalsContact O-OG1 3.1Å; R736-A740 PolarHBondContact O-N 3.44Å
737	S	33	Very low	34.8	Very low	72 Å²	72	115.7 Å²	115.7	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-74.8	-39.4	178	54	0	0	0	0	112.5	Q733 K734 T739 A740 S741	Q733-S737 PolarHBondContact O-N 3.31Å; K734-S737 PolarHBondContact O-N 2.94Å; K734-S737 PolarHBondContact O-OG 2.94Å; S737-T739 PolarHBondContact O-N 3.5Å; S737-A740 PolarHBondContact O-N 3.12Å; S737-A740 VanDerWaalsContact O-N 3.14Å; S737-S741 PolarHBondContact O-N 2.86Å; S737-S741 VanDerWaalsContact O-N 3.17Å
738	A	35.4	Very low	34.7	Very low	70 Å²	70	121 Å²	121	58%	0.579	66%	0.657	S	S	*	*	H	α-helix	trans	-63.8	-26	177.9	0	0	0	0	0	113.6	K734	K734-A738 WeakPolarHBondContact O-CB 3.33Å; K734-A738 PolarHBondContact O-N 3.38Å
739	T	36.5	Very low	34.2	Very low	107 Å²	107	123.4 Å²	123.4	66%	0.656	68%	0.677	S	S	*	*	H	α-helix	trans	-83	-25.4	175.2	32.2	0	0	0	0	113.3	L735 R736 S737	L735-T739 PolarHBondContact O-OG1 2.92Å; L735-T739 VanDerWaalsContact O-OG1 3.08Å; R736-T739 PolarHBondContact O-OG1 2.82Å; R736-T739 VanDerWaalsContact O-OG1 3.1Å; S737-T739 PolarHBondContact O-N 3.5Å
740	A	34.3	Very low	34	Very low	70 Å²	70	123.1 Å²	123.1	58%	0.579	69%	0.693	S	S	*	*	H	α-helix	trans	-74.7	-40.8	173.8	0	0	0	0	0	112.4	R736 S737 R742 R743	R736-A740 PolarHBondContact O-N 3.44Å; S737-A740 PolarHBondContact O-N 3.12Å; S737-A740 VanDerWaalsContact O-N 3.14Å; A740-R742 PolarHBondContact O-N 2.89Å; A740-R743 PolarHBondContact O-N 3.04Å
741	S	32.7	Very low	34	Very low	109 Å²	109	123 Å²	123	76%	0.762	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	2.9	-176.1	-166.8	0	0	0	0	115.6	S737	S737-S741 PolarHBondContact O-N 2.86Å; S737-S741 VanDerWaalsContact O-N 3.17Å
742	R	36.4	Very low	33.5	Very low	234 Å²	234	122.7 Å²	122.7	88%	0.883	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	13.9	177.4	-99.3	-174.4	171.9	-169.6	-2.4	114.6	A740	A740-R742 PolarHBondContact O-N 2.89Å
743	R	39.7	Very low	33	Very low	236 Å²	236	127.8 Å²	127.8	89%	0.891	75%	0.747	S	S	*	*	S	Bend	trans	-132.4	110.5	168.8	-77.7	-174.2	169.3	-171.9	-3.7	111.3	A740	A740-R743 PolarHBondContact O-N 3.04Å
744	G	29.2	Very low	33	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	76%	0.755	S	S	*	*			trans	134.8	75.1	162.4	0	0	0	0	0	116.6
745	S	26.6	Very low	32.7	Very low	122 Å²	122	126.1 Å²	126.1	85%	0.853	77%	0.768	S	S	*	*			trans	-167.5	145.8	132.9	-82.2	0	0	0	0	109.8
746	P	36.1	Very low	32.4	Very low	131 Å²	131	127.8 Å²	127.8	85%	0.851	78%	0.782	S	S	*	*			trans	-93	160.4	-167.5	36.4	-36.2	0	0	0	114.2
747	A	31	Very low	32.3	Very low	91 Å²	91	122.6 Å²	122.6	75%	0.752	78%	0.784	S	S	*	*			trans	-105.7	149.9	161.3	0	0	0	0	0	109.8
748	P	30.8	Very low	32.2	Very low	136 Å²	136	123.4 Å²	123.4	88%	0.883	80%	0.796	S	S	*	*			trans	-75.2	164.8	-175.6	31.3	-36.1	0	0	0	113.5
749	A	28.2	Very low	32	Very low	104 Å²	104	129.8 Å²	129.8	86%	0.86	81%	0.81	S	S	*	*			trans	-103.8	142.7	-170.8	0	0	0	0	0	114.3
750	A	29.9	Very low	31.8	Very low	96 Å²	96	128 Å²	128	79%	0.793	81%	0.813	S	S	*	*			trans	-164.1	163.4	155.4	0	0	0	0	0	108.5
751	P	36.4	Very low	31.6	Very low	127 Å²	127	129.7 Å²	129.7	83%	0.825	83%	0.827	S	S	*	*				-130.4	146.9	-110.5	34.6	-17	0	0	0	117.5
752	G	28.3	Very low	31.6	Very low	75 Å²	75	128.8 Å²	128.8	77%	0.773	82%	0.821	S	S	*	*			trans	75.4	116.3	135.1	0	0	0	0	0	120.7
753	R	28.1	Very low	31.5	Very low	261 Å²	261	127.8 Å²	127.8	99%	0.985	82%	0.817	S	S	*	*				-158.1	161.5	127.3	-113.2	172	179.9	-170.1	-1.6	111.8
754	A	31.4	Very low	31.2	Very low	93 Å²	93	127 Å²	127	77%	0.769	81%	0.814	S	S	*	*			trans	-83.9	158.8	-168	0	0	0	0	0	113.8
755	P	32.7	Very low	31.5	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	81%	0.809	S	S	*	*			trans	-90.6	160.2	-177.4	36.7	-36	0	0	0	113.7
756	T	30	Very low	31.8	Very low	139 Å²	139	129.1 Å²	129.1	85%	0.853	81%	0.809	S	S	*	*			trans	-134	139.4	168.7	51.5	0	0	0	0	112.1
757	A	31.4	Very low	31.9	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	80%	0.802	S	S	*	*			trans	-25.8	153.2	166.9	0	0	0	0	0	116.2
758	A	31.6	Very low	32.9	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	80%	0.802	S	S	*	*			cis	-175.4	-172.2	41	0	0	0	0	0	108.5
759	K	31.3	Very low	33.3	Very low	204 Å²	204	128.5 Å²	128.5	89%	0.887	80%	0.8	S	S	*	*			cis	-166.8	158.9	-2.4	-135.3	165.5	-173.8	179.2	0	107.9
760	G	31	Very low	34.4	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	79%	0.794	S	S	*	*			trans	84.2	129.3	170.8	0	0	0	0	0	114.3
761	A	31.5	Very low	35.7	Very low	105 Å²	105	129.5 Å²	129.5	87%	0.868	79%	0.79	S	S	*	*			cis	74.3	135.5	23.2	0	0	0	0	0	114.2
762	S	32.2	Very low	35.7	Very low	91 Å²	91	133 Å²	133	64%	0.636	82%	0.817	S	S	*	*			cis	-162.9	152.2	1.2	100.1	0	0	0	0	113.9
763	R	34.3	Very low	36	Very low	213 Å²	213	135.9 Å²	135.9	80%	0.804	82%	0.82	S	S	*	*			trans	63.3	175.5	152.4	-64.8	175.3	176.1	-172.6	-0.3	115.7
764	R	33.8	Very low	36.5	Very low	220 Å²	220	129.3 Å²	129.3	83%	0.83	81%	0.811	S	S	*	*			cis	-171.2	168.7	-35.4	-96.7	-178.4	174.4	-174	-2.7	104.3
765	A	34.4	Very low	36.7	Very low	82 Å²	82	131.3 Å²	131.3	68%	0.678	81%	0.813	S	S	*	*			cis	-169.6	168.5	-33	0	0	0	0	0	107.1
766	N	33.8	Very low	37	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	81%	0.813	S	S	*	*			trans	-19.4	137	173.2	-47.7	-7.2	0	0	0	118.5
767	G	37.3	Very low	37.4	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	81%	0.81	S	S	*	*			trans	-73	176.6	150.1	0	0	0	0	0	111.6
768	P	52.3	Low	37.8	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	81%	0.809	S	S	*	*				-153.7	165.8	74.4	41.6	-23.8	0	0	0	117.7
769	L	38.9	Very low	38.3	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	81%	0.814	S	S	*	*			trans	47.1	168.2	139	-66.7	171.3	0	0	0	122
770	P	51.4	Low	38.8	Very low	113 Å²	113	131.2 Å²	131.2	73%	0.734	81%	0.808	S	S	*	*			cis	-125.3	-136.7	-40.1	41.1	-23	0	0	0	107.9
771	P	56.8	Low	39.4	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	82%	0.816	S	S	*	*			cis	-122.4	155.6	-37.3	37.2	-23.4	0	0	0	114.2
772	S	36.6	Very low	40.2	Very low	201 Å²	201	139.2 Å²	139.2	100%	1.406	81%	0.812	S	S	*	*			trans	-168.7	0	146.1	-75.9	0	0	0	0	108.3

Retrieved 772 of 772 residues in 324.1 ms (Link to these results)

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